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Opened 6 weeks ago
Last modified 6 weeks ago
#18997 assigned defect
QScore: scores is None
| Reported by: | Owned by: | Tristan Croll | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Third Party | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description (last modified by )
The following bug report has been submitted:
Platform: macOS-15.5-arm64-arm-64bit
ChimeraX Version: 1.10 (2025-06-26 08:57:52 UTC)
Description
Replace this text with list of actions that caused this problem to occur
Log:
UCSF ChimeraX version: 1.10 (2025-06-26)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open /Users/rk-mm2025/Desktop/ATPall/J1800_003_volume_map_sharp.mrc
Opened J1800_003_volume_map_sharp.mrc as #1, grid size 400,400,400, pixel
1.75, shown at level 0.0391, step 2, values float32
> volume #1 level 0.07687
> open /Users/rk-
> mm2025/Desktop/ATPall/MDFF_IDAd_ATPVi_tail_J1800-coot-3-noHead.pdb
Chain information for MDFF_IDAd_ATPVi_tail_J1800-coot-3-noHead.pdb #2
---
Chain | Description
B | No description available
C | No description available
E | No description available
R | No description available
S | No description available
> open "/Users/rk-mm2025/Desktop/ATPVi_MD_longlinker/long linker model 00.pdb"
Chain information for long linker model 00.pdb #3
---
Chain | Description
A | No description available
> open /Users/rk-mm2025/Desktop/ATPVi_MD_longlinker/J1140_006_356A.mrc
Opened J1140_006_356A.mrc as #4, grid size 400,400,400, pixel 0.873, shown at
level 0.0479, step 2, values float32
> volume #4 level 0.06007
> transparency 60
> select add #3
22917 atoms, 23440 bonds, 2 pseudobonds, 2894 residues, 2 models selected
> select subtract #3
Nothing selected
> ui mousemode right "rotate selected models"
> select add #3
22917 atoms, 23440 bonds, 2 pseudobonds, 2894 residues, 2 models selected
> view matrix models
> #3,0.99354,-0.018299,0.11197,-14.352,-0.081088,0.57574,0.8136,-52.756,-0.079355,-0.81743,0.57054,212.05
> ui mousemode right "translate selected models"
> view matrix models
> #3,0.99354,-0.018299,0.11197,-14.259,-0.081088,0.57574,0.8136,-46.364,-0.079355,-0.81743,0.57054,229.13
> view matrix models
> #3,0.99354,-0.018299,0.11197,-14.069,-0.081088,0.57574,0.8136,-46.873,-0.079355,-0.81743,0.57054,228
> view matrix models
> #3,0.99354,-0.018299,0.11197,-12.475,-0.081088,0.57574,0.8136,-45.031,-0.079355,-0.81743,0.57054,230.11
> ui mousemode right "rotate selected models"
> view matrix models
> #3,0.99865,0.046146,-0.023904,-1.1905,-0.010221,0.62537,0.78027,-59.692,0.050955,-0.77897,0.62499,192.45
> ui tool show "Fit in Map"
> fitmap #3 inMap #4
Fit molecule long linker model 00.pdb (#3) to map J1140_006_356A.mrc (#4)
using 22917 atoms
average map value = 0.1084, steps = 96
shifted from previous position = 4.59
rotated from previous position = 3.21 degrees
atoms outside contour = 5537, contour level = 0.060066
Position of long linker model 00.pdb (#3) relative to J1140_006_356A.mrc (#4)
coordinates:
Matrix rotation and translation
0.99766641 0.03647816 -0.05771551 6.32203311
0.01930751 0.66008389 0.75094373 -70.19866694
0.06549012 -0.75030567 0.65783922 177.83292015
Axis -0.99658453 -0.08178842 -0.01139851
Axis point 0.00000000 160.98544854 166.63262199
Rotation angle (degrees) 48.86809532
Shift along axis -2.58603211
> ui tool show "Model-map Q-Score"
> transparency #4 60
> style #3 stick
Changed 22917 atom styles
> color #3 byhetero
> qscore #3 toVolume #4 useGui false pointsPerShell 8 shellRadiusStep 0.100
> maxShellRadius 2.00 referenceGaussianSigma 0.60 logDetails true assignAttr
> false
Chain Number Name Qavg Qworst Qbb Qsc
-------------------------------------------------------
A 984 GLU 0.077 -0.435 0.055 0.094
A 985 ASN 0.228 -0.169 0.193 0.262
A 986 CYS 0.065 -0.336 0.119 -0.043
A 987 GLU 0.256 -0.358 0.464 0.090
A 988 LEU 0.029 -0.195 0.083 -0.025
A 989 ILE -0.079 -0.470 -0.007 -0.151
A 990 ARG 0.043 -0.461 0.346 -0.129
A 991 GLU 0.379 0.130 0.417 0.348
A 992 GLU 0.242 -0.373 0.116 0.343
A 993 VAL 0.195 -0.152 0.067 0.367
A 994 GLU -0.285 -0.663 -0.494 -0.117
A 995 ALA 0.073 -0.759 0.041 0.198
A 996 PHE 0.040 -0.401 0.054 0.032
A 997 LYS -0.315 -0.514 -0.409 -0.240
A 998 LYS -0.141 -0.645 0.149 -0.372
A 999 PHE 0.059 -0.723 0.379 -0.125
A 1000 VAL -0.195 -0.704 0.091 -0.576
A 1001 PRO -0.056 -0.459 -0.104 0.008
A 1002 LEU 0.124 -0.518 0.254 -0.005
A 1003 VAL -0.254 -0.780 -0.302 -0.190
A 1004 GLN 0.157 -0.445 0.407 -0.043
A 1005 ALA 0.296 -0.133 0.351 0.076
A 1006 LEU 0.071 -0.551 -0.198 0.341
A 1007 ARG -0.098 -0.590 -0.319 0.028
A 1008 ASN 0.254 0.051 0.346 0.161
A 1009 PRO -0.082 -0.615 -0.256 0.150
A 1010 GLY -0.351 -0.496 -0.351 N/A
A 1011 MET 0.133 -0.331 0.245 0.022
A 1012 ARG 0.213 -0.301 0.338 0.142
A 1013 ASP 0.320 -0.326 0.110 0.530
A 1014 ARG -0.286 -0.786 -0.022 -0.437
A 1015 HIS -0.492 -0.794 -0.505 -0.483
A 1016 TRP 0.191 -0.552 -0.050 0.288
A 1017 ASP 0.143 -0.478 -0.051 0.336
A 1018 GLN 0.410 -0.047 0.305 0.495
A 1019 LEU 0.270 -0.436 0.495 0.044
A 1020 SER -0.275 -0.670 -0.194 -0.437
A 1021 ALA -0.093 -0.482 -0.204 0.352
A 1022 LEU -0.053 -0.622 0.287 -0.393
A 1023 LEU 0.186 -0.332 0.362 0.010
A 1024 GLY -0.146 -0.558 -0.146 N/A
A 1025 PHE 0.291 -0.331 0.186 0.351
A 1026 LYS 0.319 -0.295 0.512 0.165
A 1027 LEU 0.196 -0.260 0.351 0.042
A 1028 HIS -0.193 -0.742 0.272 -0.504
A 1029 PRO 0.277 -0.208 0.380 0.139
A 1030 ASP 0.209 -0.435 0.216 0.203
A 1031 LYS 0.060 -0.525 -0.251 0.310
A 1032 THR -0.157 -0.677 0.037 -0.416
A 1033 PHE 0.254 -0.349 0.136 0.321
A 1034 THR 0.105 -0.169 0.089 0.126
A 1035 MET -0.001 -0.377 0.063 -0.065
A 1036 ALA 0.013 -0.243 0.005 0.044
A 1037 ALA 0.313 -0.387 0.271 0.483
A 1038 ALA 0.060 -0.539 0.210 -0.539
A 1039 GLU -0.290 -0.780 -0.265 -0.310
A 1040 GLN 0.161 -0.324 -0.127 0.391
A 1041 MET 0.182 -0.048 0.213 0.152
A 1042 GLY -0.336 -0.622 -0.336 N/A
A 1043 LEU -0.018 -0.503 -0.238 0.202
A 1044 LEU -0.160 -0.684 -0.069 -0.250
A 1045 GLN -0.318 -0.788 -0.376 -0.271
A 1046 HIS -0.446 -0.840 -0.230 -0.590
A 1047 LEU -0.140 -0.610 -0.228 -0.051
A 1048 GLN 0.267 -0.145 0.245 0.284
A 1049 ALA -0.312 -0.702 -0.373 -0.067
A 1050 ILE -0.306 -0.634 -0.132 -0.479
A 1051 THR -0.271 -0.608 -0.208 -0.356
A 1052 LYS -0.050 -0.651 0.083 -0.156
A 1053 VAL -0.050 -0.729 0.320 -0.543
A 1054 ALA 0.480 -0.164 0.641 -0.164
A 1055 ASP 0.020 -0.542 -0.209 0.250
A 1056 VAL 0.216 -0.159 0.289 0.119
A 1057 ALA 0.012 -0.180 0.056 -0.163
A 1058 GLY 0.454 0.039 0.454 N/A
A 1059 LYS 0.030 -0.428 0.356 -0.231
A 1060 GLU 0.086 -0.173 -0.022 0.172
A 1061 TYR 0.213 -0.322 0.412 0.114
A 1062 SER 0.353 0.112 0.211 0.635
A 1063 ILE -0.121 -0.680 -0.092 -0.151
A 1064 GLU -0.254 -0.623 -0.047 -0.419
A 1065 GLN -0.097 -0.669 -0.217 -0.001
A 1066 ALA -0.343 -0.735 -0.444 0.064
A 1067 LEU -0.158 -0.631 -0.350 0.034
A 1068 ASP -0.066 -0.341 -0.252 0.119
A 1069 LYS -0.202 -0.746 -0.194 -0.208
A 1070 MET -0.212 -0.773 -0.524 0.099
A 1071 GLN 0.129 -0.170 0.157 0.107
A 1072 ARG 0.119 -0.481 0.366 -0.022
A 1073 GLU 0.085 -0.410 -0.134 0.260
A 1074 TRP -0.363 -0.726 -0.177 -0.438
A 1075 GLU -0.046 -0.746 0.028 -0.105
A 1076 SER 0.251 0.115 0.290 0.174
A 1077 ALA 0.028 -0.446 0.061 -0.102
A 1078 GLU -0.083 -0.398 -0.173 -0.011
A 1079 MET 0.003 -0.405 -0.082 0.088
A 1080 GLN 0.111 -0.326 0.277 -0.023
A 1081 VAL 0.493 0.043 0.625 0.317
A 1082 LEU 0.156 -0.276 0.273 0.038
A 1083 ASP 0.165 -0.539 -0.142 0.471
A 1084 TYR -0.074 -0.554 -0.082 -0.071
A 1085 ARG 0.069 -0.351 0.214 -0.014
A 1086 GLU -0.010 -0.807 0.400 -0.339
A 1087 THR 0.167 -0.408 0.028 0.352
A 1088 LYS 0.419 -0.063 0.291 0.521
A 1089 THR 0.120 -0.281 0.115 0.128
A 1090 PHE 0.265 -0.060 0.254 0.271
A 1091 VAL -0.059 -0.486 -0.162 0.078
A 1092 ILE -0.160 -0.629 -0.119 -0.200
A 1093 LYS 0.013 -0.334 -0.005 0.028
A 1094 VAL 0.105 -0.575 -0.130 0.418
A 1095 GLU 0.119 -0.641 0.422 -0.123
A 1096 GLU 0.018 -0.693 0.268 -0.181
A 1097 GLN -0.080 -0.727 0.302 -0.386
A 1098 ILE 0.001 -0.866 -0.437 0.438
A 1099 SER -0.066 -0.624 -0.260 0.321
A 1100 GLN 0.009 -0.386 0.332 -0.250
A 1101 MET -0.057 -0.370 0.037 -0.151
A 1102 LEU 0.058 -0.507 -0.085 0.201
A 1103 ASP 0.063 -0.411 -0.011 0.138
A 1104 ASP 0.226 -0.445 0.063 0.388
A 1105 HIS -0.032 -0.720 -0.513 0.289
A 1106 ILE 0.129 -0.121 0.059 0.199
A 1107 ALA -0.186 -0.514 -0.104 -0.514
A 1108 MET -0.076 -0.542 0.098 -0.250
A 1109 THR -0.020 -0.618 -0.034 -0.002
A 1110 GLN 0.003 -0.443 0.244 -0.190
A 1111 SER -0.254 -0.736 -0.521 0.279
A 1112 MET -0.002 -0.456 0.354 -0.359
A 1113 ALA 0.073 -0.675 0.260 -0.675
A 1114 PHE 0.061 -0.398 0.337 -0.097
A 1115 SER -0.063 -0.381 -0.121 0.054
A 1116 PRO -0.193 -0.458 -0.152 -0.249
A 1117 TYR -0.068 -0.801 -0.219 0.007
A 1118 LYS -0.044 -0.576 -0.095 -0.003
A 1119 LYS -0.098 -0.507 -0.050 -0.136
A 1120 PRO -0.008 -0.608 -0.040 0.035
A 1121 PHE -0.116 -0.629 -0.328 0.004
A 1122 GLU -0.051 -0.641 0.043 -0.127
A 1123 GLU 0.172 -0.127 -0.019 0.324
A 1124 ARG -0.109 -0.672 0.038 -0.193
A 1125 ILE 0.183 -0.272 -0.180 0.546
A 1126 ALA 0.322 0.010 0.264 0.554
A 1127 LYS -0.036 -0.714 -0.024 -0.045
A 1128 TRP 0.256 -0.358 -0.112 0.404
A 1129 GLU 0.168 -0.244 -0.005 0.306
A 1130 GLN 0.304 -0.182 0.217 0.374
A 1131 GLN -0.055 -0.563 -0.385 0.210
A 1132 LEU 0.095 -0.505 0.170 0.020
A 1133 SER -0.110 -0.559 0.054 -0.437
A 1134 LEU 0.382 -0.227 0.542 0.223
A 1135 VAL 0.227 -0.142 0.369 0.038
A 1136 SER 0.072 -0.754 0.400 -0.584
A 1137 GLU 0.038 -0.648 0.033 0.042
A 1138 ILE 0.002 -0.315 -0.049 0.053
A 1139 LEU -0.249 -0.618 -0.375 -0.122
A 1140 ASP 0.371 -0.152 0.474 0.267
A 1141 GLN 0.335 -0.072 0.416 0.270
A 1142 TRP 0.308 -0.404 0.250 0.332
A 1143 ILE 0.114 -0.683 0.070 0.158
A 1144 GLN 0.107 -0.299 0.307 -0.053
A 1145 LEU 0.068 -0.385 -0.183 0.318
A 1146 GLN 0.389 -0.080 0.261 0.491
A 1147 ARG 0.125 -0.277 0.013 0.189
A 1148 GLN 0.078 -0.454 0.344 -0.135
A 1149 TRP 0.538 -0.006 0.414 0.587
A 1150 MET 0.078 -0.057 0.055 0.100
A 1151 TYR 0.056 -0.199 0.058 0.055
A 1152 LEU 0.447 0.095 0.470 0.424
A 1153 GLU 0.252 -0.030 0.342 0.180
A 1154 PRO 0.241 -0.082 0.070 0.470
A 1155 ILE 0.165 -0.383 0.499 -0.170
A 1156 PHE 0.175 -0.310 0.342 0.080
A 1157 GLY 0.362 -0.053 0.362 N/A
A 1158 SER 0.430 0.324 0.446 0.396
A 1159 GLU 0.089 -0.144 0.011 0.151
A 1160 ASP 0.284 0.002 0.438 0.130
A 1161 ILE 0.152 -0.434 0.236 0.068
A 1162 MET 0.327 -0.029 0.229 0.426
A 1163 GLN 0.368 0.134 0.487 0.272
A 1164 GLN 0.010 -0.383 -0.078 0.081
A 1165 LEU -0.152 -0.508 -0.281 -0.022
A 1166 PRO 0.361 -0.228 0.371 0.348
A 1167 LEU 0.418 0.002 0.390 0.446
A 1168 GLU 0.156 -0.146 0.289 0.049
A 1169 GLY 0.213 0.075 0.213 N/A
A 1170 LYS 0.264 -0.634 0.341 0.203
A 1171 ARG 0.410 0.003 0.561 0.324
A 1172 PHE 0.141 -0.107 0.195 0.110
A 1173 ALA 0.381 0.027 0.361 0.459
A 1174 THR 0.530 0.337 0.547 0.507
A 1175 VAL 0.338 -0.274 0.559 0.043
A 1176 ASP 0.004 -0.433 0.165 -0.157
A 1177 ARG 0.443 0.057 0.448 0.439
A 1178 MET 0.463 0.214 0.344 0.582
A 1179 TRP 0.142 -0.249 0.162 0.134
A 1180 ARG -0.162 -0.740 0.378 -0.471
A 1181 LYS 0.304 -0.380 0.165 0.415
A 1182 THR 0.386 0.017 0.435 0.322
A 1183 THR 0.340 -0.211 0.525 0.094
A 1184 ASP 0.072 -0.623 0.521 -0.377
A 1185 ALA 0.256 0.015 0.316 0.015
A 1186 ALA 0.120 -0.022 0.156 -0.022
A 1187 LYS 0.018 -0.546 0.019 0.018
A 1188 ARG 0.094 -0.510 0.431 -0.098
A 1189 ASN 0.431 -0.017 0.476 0.386
A 1190 PRO -0.001 -0.494 0.003 -0.005
A 1191 LEU 0.133 -0.404 -0.083 0.349
A 1192 LEU 0.202 -0.206 0.299 0.105
A 1193 LEU 0.106 -0.176 0.137 0.074
A 1194 LYS 0.225 -0.371 0.617 -0.089
A 1195 VAL -0.061 -0.338 0.039 -0.194
A 1196 CYS -0.091 -0.654 -0.434 0.595
A 1197 SER 0.358 -0.267 0.292 0.490
A 1198 SER 0.465 0.261 0.412 0.570
A 1199 GLN 0.275 0.007 0.371 0.199
A 1200 LYS -0.207 -0.894 -0.459 -0.006
A 1201 LEU -0.096 -0.643 0.073 -0.264
A 1202 LEU 0.002 -0.318 -0.142 0.146
A 1203 ASP 0.005 -0.564 0.277 -0.267
A 1204 SER 0.380 0.198 0.335 0.471
A 1205 PHE 0.406 0.092 0.313 0.458
A 1206 ILE 0.090 -0.244 0.234 -0.054
A 1207 GLU 0.126 -0.726 -0.197 0.386
A 1208 ALA 0.192 -0.265 0.130 0.438
A 1209 ASN 0.148 -0.224 0.245 0.050
A 1210 LYS 0.173 -0.243 0.455 -0.053
A 1211 LEU 0.276 -0.453 0.523 0.029
A 1212 LEU 0.224 -0.164 0.223 0.224
A 1213 GLU 0.363 0.077 0.210 0.486
A 1214 SER 0.251 0.001 0.340 0.071
A 1215 VAL 0.079 -0.118 0.129 0.012
A 1216 GLN 0.327 -0.003 0.177 0.447
A 1217 LYS 0.043 -0.664 0.411 -0.251
A 1218 GLY 0.449 0.136 0.449 N/A
A 1219 LEU 0.048 -0.372 0.165 -0.070
A 1220 ALA 0.352 -0.473 0.349 0.364
A 1221 ASP 0.109 -0.237 0.264 -0.046
A 1222 TYR 0.187 -0.212 0.406 0.078
A 1223 LEU 0.400 -0.201 0.281 0.520
A 1224 GLU 0.337 -0.362 0.189 0.456
A 1225 THR 0.368 -0.040 0.331 0.418
A 1226 LYS 0.097 -0.321 -0.095 0.250
A 1227 ARG 0.452 -0.295 0.169 0.613
A 1228 LEU 0.371 -0.182 0.548 0.194
A 1229 ALA 0.494 0.309 0.481 0.546
A 1230 PHE 0.455 0.159 0.451 0.457
A 1231 ALA 0.360 0.010 0.443 0.031
A 1232 ARG 0.494 0.175 0.548 0.463
A 1233 PHE 0.444 0.134 0.411 0.462
A 1234 PHE 0.377 -0.058 0.522 0.295
A 1235 PHE 0.431 -0.033 0.281 0.516
A 1236 LEU 0.293 -0.059 0.294 0.292
A 1237 SER 0.584 0.364 0.509 0.732
A 1238 ASN 0.284 -0.094 0.307 0.260
A 1239 ASP 0.160 -0.529 0.401 -0.081
A 1240 GLU 0.204 -0.358 0.293 0.133
A 1241 LEU 0.281 -0.610 0.461 0.100
A 1242 LEU 0.385 0.065 0.428 0.342
A 1243 GLN 0.282 -0.257 0.128 0.404
A 1244 ILE -0.011 -0.634 0.354 -0.376
A 1245 LEU 0.600 0.355 0.578 0.623
A 1246 SER 0.256 0.023 0.351 0.067
A 1247 GLN -0.166 -0.635 -0.123 -0.199
A 1248 THR 0.099 -0.562 0.487 -0.419
A 1249 LYS 0.248 -0.304 0.618 -0.047
A 1250 ASN -0.054 -0.405 0.017 -0.124
A 1251 PRO 0.187 -0.047 0.234 0.124
A 1252 LEU 0.290 -0.467 0.083 0.497
A 1253 ALA 0.364 0.253 0.330 0.498
A 1254 VAL 0.223 -0.159 0.390 0.001
A 1255 GLN 0.021 -0.645 0.224 -0.142
A 1256 PRO 0.491 0.290 0.600 0.346
A 1257 HIS 0.379 0.078 0.311 0.425
A 1258 LEU 0.363 -0.096 0.342 0.384
A 1259 ARG 0.145 -0.446 0.402 -0.001
A 1260 LYS 0.479 -0.198 0.673 0.323
A 1261 CYS 0.336 -0.419 0.209 0.588
A 1262 PHE 0.514 0.160 0.560 0.487
A 1263 GLU -0.080 -0.328 -0.002 -0.142
A 1264 ALA 0.324 -0.065 0.421 -0.065
A 1265 ILE 0.304 -0.638 0.541 0.068
A 1266 GLU 0.392 -0.097 0.522 0.287
A 1267 SER 0.391 -0.021 0.396 0.383
A 1268 LEU 0.051 -0.778 0.437 -0.335
A 1269 ASP 0.151 -0.347 0.478 -0.177
A 1270 PHE 0.269 -0.339 0.715 0.014
A 1271 ALA 0.341 -0.140 0.337 0.358
A 1272 PRO 0.469 0.240 0.512 0.412
A 1273 ASN 0.083 -0.373 0.175 -0.010
A 1274 GLY 0.041 -0.535 0.041 N/A
A 1275 GLU 0.173 -0.206 0.406 -0.013
A 1276 ILE 0.205 -0.176 0.211 0.200
A 1277 GLY 0.000 -0.216 0.000 N/A
A 1278 ALA 0.083 -0.233 0.050 0.217
A 1279 MET 0.355 -0.111 0.275 0.434
A 1280 ASN 0.420 -0.123 0.577 0.263
A 1281 SER 0.482 -0.134 0.690 0.067
A 1282 ARG 0.460 0.158 0.529 0.420
A 1283 GLU 0.097 -0.538 0.553 -0.269
A 1284 LYS 0.579 -0.115 0.685 0.494
A 1285 GLU 0.239 -0.267 0.308 0.184
A 1286 LYS 0.413 0.154 0.530 0.319
A 1287 VAL 0.338 0.015 0.495 0.129
A 1288 PRO 0.227 -0.106 0.153 0.326
A 1289 PHE 0.450 0.206 0.392 0.483
A 1290 ASP 0.248 -0.161 0.498 -0.001
A 1291 LYS 0.044 -0.581 -0.187 0.228
A 1292 PRO 0.174 -0.167 -0.017 0.428
A 1293 MET 0.272 -0.213 0.383 0.162
A 1294 MET 0.404 0.071 0.403 0.404
A 1295 PRO -0.025 -0.673 -0.223 0.240
A 1296 GLN 0.147 -0.358 -0.054 0.307
A 1297 GLY 0.556 0.369 0.556 N/A
A 1298 ASN -0.074 -0.362 0.082 -0.229
A 1299 VAL 0.359 0.109 0.358 0.359
A 1300 GLU 0.002 -0.573 0.022 -0.014
A 1301 ILE 0.325 0.109 0.293 0.357
A 1302 TRP 0.117 -0.119 0.233 0.071
A 1303 LEU 0.217 -0.581 0.001 0.434
A 1304 GLY 0.089 -0.258 0.089 N/A
A 1305 GLU 0.214 -0.395 0.366 0.093
A 1306 VAL 0.342 -0.090 0.225 0.498
A 1307 GLU 0.297 -0.206 0.348 0.257
A 1308 ARG 0.306 -0.638 0.647 0.110
A 1309 ARG 0.518 0.085 0.555 0.497
A 1310 MET 0.431 -0.168 0.469 0.393
A 1311 ARG 0.596 0.336 0.557 0.618
A 1312 PHE 0.507 0.129 0.600 0.455
A 1313 SER 0.403 0.005 0.393 0.423
A 1314 VAL 0.370 -0.213 0.562 0.115
A 1315 ARG 0.301 -0.171 0.471 0.204
A 1316 HIS 0.463 0.171 0.396 0.508
A 1317 GLN 0.391 -0.012 0.339 0.432
A 1318 VAL 0.361 0.067 0.349 0.377
A 1319 VAL 0.410 -0.079 0.590 0.171
A 1320 LEU 0.411 0.020 0.470 0.353
A 1321 ALA -0.040 -0.344 -0.038 -0.049
A 1322 VAL 0.284 -0.438 0.151 0.461
A 1323 ALA 0.642 0.474 0.684 0.474
A 1324 ALA 0.399 0.145 0.463 0.145
A 1325 TYR 0.164 -0.566 0.418 0.036
A 1326 ALA 0.431 0.085 0.517 0.085
A 1327 THR 0.150 -0.298 0.272 -0.012
A 1328 THR -0.244 -0.652 -0.069 -0.478
A 1329 PRO 0.314 -0.155 0.297 0.337
A 1330 ARG 0.436 -0.191 0.179 0.583
A 1331 LYS -0.074 -0.709 -0.276 0.086
A 1332 GLN -0.188 -0.618 0.049 -0.378
A 1333 TRP 0.316 -0.222 0.271 0.333
A 1334 VAL 0.185 -0.627 -0.025 0.466
A 1335 ARG 0.177 -0.210 0.023 0.265
A 1336 ASP 0.395 -0.084 0.202 0.588
A 1337 TRP 0.331 -0.255 0.591 0.227
A 1338 PRO 0.730 0.508 0.742 0.714
A 1339 ALA 0.614 0.509 0.607 0.641
A 1340 MET 0.307 -0.408 0.439 0.175
A 1341 VAL 0.641 0.557 0.615 0.675
A 1342 VAL 0.470 0.099 0.434 0.517
A 1343 LEU 0.520 0.026 0.632 0.409
A 1344 ALA 0.563 0.388 0.607 0.388
A 1345 VAL 0.498 0.279 0.427 0.592
A 1346 SER 0.459 0.239 0.383 0.612
A 1347 ALA 0.161 -0.327 0.283 -0.327
A 1348 ILE 0.400 0.046 0.332 0.467
A 1349 TYR 0.445 0.132 0.288 0.523
A 1350 TRP 0.251 -0.148 0.099 0.313
A 1351 SER 0.261 -0.324 0.432 -0.079
A 1352 ARG 0.364 -0.192 0.587 0.236
A 1353 GLU 0.028 -0.638 0.308 -0.196
A 1354 VAL 0.236 -0.508 0.506 -0.124
A 1355 GLU 0.425 -0.209 0.494 0.371
A 1356 GLU 0.109 -0.426 0.568 -0.258
A 1357 ALA 0.085 -0.266 0.045 0.246
A 1358 ILE 0.014 -0.430 0.129 -0.100
A 1359 SER 0.358 0.065 0.467 0.140
A 1360 GLU -0.055 -0.721 0.447 -0.457
A 1361 GLY 0.141 -0.141 0.141 N/A
A 1362 SER -0.045 -0.494 -0.247 0.359
A 1363 VAL 0.263 -0.366 0.130 0.440
A 1364 PRO 0.144 -0.564 0.006 0.327
A 1365 ALA 0.482 -0.025 0.424 0.714
A 1366 TYR 0.118 -0.514 0.260 0.047
A 1367 LEU 0.058 -0.297 0.156 -0.040
A 1368 ASP 0.188 -0.106 0.176 0.200
A 1369 LYS 0.284 0.093 0.188 0.362
A 1370 CYS 0.147 -0.246 0.237 -0.034
A 1371 SER 0.059 -0.443 0.228 -0.278
A 1372 ALA 0.618 0.435 0.638 0.538
A 1373 ASP -0.016 -0.550 0.163 -0.194
A 1374 LEU 0.334 -0.322 0.441 0.227
A 1375 LEU 0.401 0.008 0.391 0.412
A 1376 ASP 0.439 0.072 0.332 0.546
A 1377 LEU 0.160 -0.525 0.418 -0.098
A 1378 THR -0.103 -0.571 0.116 -0.395
A 1379 ASP 0.029 -0.598 0.146 -0.089
A 1380 LEU 0.190 -0.206 0.179 0.201
A 1381 VAL 0.204 -0.310 0.425 -0.091
A 1382 ARG 0.160 -0.293 0.403 0.022
A 1383 GLY 0.068 -0.357 0.068 N/A
A 1384 ARG 0.137 -0.473 0.298 0.045
A 1385 LEU -0.160 -0.538 -0.192 -0.129
A 1386 SER -0.084 -0.466 -0.087 -0.078
A 1387 GLY 0.341 -0.102 0.341 N/A
A 1388 GLN 0.148 -0.443 0.211 0.099
A 1389 GLU 0.383 -0.021 0.314 0.438
A 1390 ARG 0.488 0.226 0.503 0.479
A 1391 LEU 0.172 -0.513 0.392 -0.048
A 1392 THR 0.365 0.055 0.346 0.390
A 1393 LEU 0.522 0.090 0.418 0.627
A 1394 GLY 0.634 0.475 0.634 N/A
A 1395 ALA 0.449 -0.008 0.426 0.541
A 1396 LEU 0.473 -0.198 0.306 0.640
A 1397 ILE 0.595 0.281 0.641 0.548
A 1398 THR 0.538 0.033 0.725 0.289
A 1399 ILE 0.522 0.101 0.562 0.482
A 1400 ASP 0.326 -0.329 0.505 0.146
A 1401 VAL 0.642 0.488 0.647 0.636
A 1402 HIS 0.604 0.198 0.476 0.689
A 1403 ALA 0.540 0.437 0.565 0.437
A 1404 ARG 0.553 0.232 0.459 0.608
A 1405 ASP 0.376 0.114 0.406 0.346
A 1406 VAL 0.203 -0.532 0.476 -0.161
A 1407 VAL 0.616 0.383 0.593 0.646
A 1408 ALA 0.312 0.155 0.265 0.498
A 1409 GLU 0.119 -0.499 0.293 -0.020
A 1410 LEU 0.365 -0.327 0.480 0.249
A 1411 ALA 0.458 0.279 0.453 0.477
A 1412 GLU 0.217 -0.183 0.220 0.214
A 1413 ALA 0.309 0.148 0.334 0.205
A 1414 LYS 0.340 -0.089 0.334 0.345
A 1415 ILE 0.157 -0.378 0.303 0.010
A 1416 LYS 0.530 0.131 0.484 0.566
A 1417 ASN -0.049 -0.605 0.133 -0.230
A 1418 PRO 0.322 -0.326 0.218 0.459
A 1419 THR 0.522 0.254 0.468 0.594
A 1420 ASP 0.607 0.275 0.635 0.580
A 1421 PHE 0.467 0.074 0.378 0.517
A 1422 GLU 0.347 0.108 0.408 0.299
A 1423 TRP 0.449 -0.313 0.258 0.526
A 1424 VAL 0.528 0.404 0.559 0.486
A 1425 SER 0.505 0.005 0.459 0.598
A 1426 ARG 0.577 0.219 0.392 0.682
A 1427 LEU 0.577 0.366 0.613 0.540
A 1428 ARG 0.575 0.162 0.561 0.583
A 1429 TYR 0.667 0.125 0.708 0.646
A 1430 TYR 0.394 -0.062 0.505 0.338
A 1431 TRP 0.298 -0.231 0.690 0.141
A 1432 ARG 0.292 -0.200 0.469 0.191
A 1433 ASN 0.208 -0.254 0.290 0.127
A 1434 ASP 0.211 -0.141 0.039 0.384
A 1435 ASP 0.450 0.279 0.482 0.419
A 1436 VAL 0.368 -0.011 0.303 0.454
A 1437 CYS 0.695 0.580 0.750 0.583
A 1438 VAL 0.564 -0.096 0.493 0.659
A 1439 ASP 0.602 0.331 0.700 0.504
A 1440 MET 0.368 0.022 0.460 0.276
A 1441 VAL 0.638 0.496 0.684 0.576
A 1442 GLN 0.381 -0.104 0.326 0.426
A 1443 ALA 0.388 0.186 0.420 0.261
A 1444 SER 0.472 -0.236 0.362 0.692
A 1445 ILE 0.503 0.004 0.619 0.388
A 1446 ALA 0.140 -0.152 0.164 0.041
A 1447 TYR 0.327 -0.193 0.236 0.372
A 1448 GLY 0.245 0.004 0.245 N/A
A 1449 TYR 0.533 0.233 0.534 0.533
A 1450 GLU 0.295 -0.190 0.402 0.209
A 1451 TYR 0.359 -0.014 0.235 0.421
A 1452 LEU 0.494 0.127 0.665 0.323
A 1453 GLY 0.663 0.508 0.663 N/A
A 1454 ASN 0.568 0.215 0.701 0.434
A 1455 THR 0.532 -0.360 0.734 0.261
A 1456 PRO 0.504 0.007 0.417 0.620
A 1457 ARG 0.606 0.386 0.563 0.631
A 1458 LEU 0.444 -0.097 0.598 0.291
A 1459 VAL 0.567 0.112 0.532 0.613
A 1460 ILE 0.673 0.494 0.699 0.646
A 1461 THR 0.298 -0.104 0.251 0.360
A 1462 PRO 0.589 0.414 0.534 0.663
A 1463 LEU 0.450 -0.118 0.588 0.312
A 1464 THR 0.456 0.137 0.420 0.503
A 1465 ASP 0.528 0.212 0.438 0.617
A 1466 ARG 0.572 0.298 0.463 0.634
A 1467 CYS 0.359 -0.151 0.354 0.370
A 1468 TYR 0.410 -0.187 0.319 0.455
A 1469 MET 0.153 -0.414 0.322 -0.015
A 1470 THR 0.551 0.177 0.613 0.468
A 1471 LEU 0.376 0.057 0.431 0.321
A 1472 MET 0.342 -0.474 0.341 0.343
A 1473 SER 0.457 0.233 0.448 0.473
A 1474 ALA 0.524 0.382 0.541 0.457
A 1475 MET 0.128 -0.582 0.421 -0.165
A 1476 HIS 0.683 0.374 0.542 0.777
A 1477 MET 0.509 -0.109 0.621 0.398
A 1478 ASN 0.514 0.127 0.623 0.405
A 1479 LEU 0.605 0.479 0.686 0.525
A 1480 GLY 0.517 0.148 0.517 N/A
A 1481 GLY 0.645 0.588 0.645 N/A
A 1482 ALA 0.371 -0.169 0.357 0.424
A 1483 PRO 0.572 0.412 0.529 0.628
A 1484 ALA 0.551 0.407 0.544 0.580
A 1485 GLY 0.708 0.537 0.708 N/A
A 1486 PRO 0.680 0.496 0.702 0.649
A 1487 ALA 0.515 0.276 0.538 0.423
A 1488 GLY 0.209 -0.132 0.209 N/A
A 1489 THR 0.638 0.493 0.665 0.603
A 1490 GLY 0.468 0.300 0.468 N/A
A 1491 LYS 0.630 0.425 0.628 0.631
A 1492 THR 0.439 0.176 0.457 0.414
A 1493 GLU 0.318 -0.219 0.571 0.115
A 1494 THR 0.685 0.540 0.711 0.650
A 1495 THR 0.554 0.365 0.549 0.561
A 1496 LYS 0.568 0.387 0.551 0.582
A 1497 ASP 0.430 0.054 0.601 0.259
A 1498 LEU 0.470 0.371 0.545 0.395
A 1499 ALA 0.439 0.192 0.500 0.192
A 1500 LYS 0.583 0.313 0.460 0.681
A 1501 ALA 0.696 0.563 0.730 0.563
A 1502 LEU 0.269 -0.093 0.322 0.215
A 1503 ALA 0.514 0.296 0.557 0.342
A 1504 LYS 0.614 0.349 0.704 0.541
A 1505 GLN 0.492 -0.073 0.619 0.390
A 1506 CYS 0.601 0.129 0.742 0.319
A 1507 VAL 0.615 0.288 0.693 0.512
A 1508 VAL 0.681 0.457 0.700 0.656
A 1509 PHE 0.654 0.478 0.712 0.621
A 1510 ASN 0.614 0.183 0.717 0.512
A 1511 CYS 0.584 0.481 0.619 0.514
A 1512 SER 0.407 0.090 0.492 0.237
A 1513 ASP 0.078 -0.384 0.348 -0.191
A 1514 GLY 0.577 0.418 0.577 N/A
A 1515 LEU 0.460 -0.003 0.510 0.409
A 1516 ASP 0.328 -0.222 0.375 0.282
A 1517 TYR 0.554 0.266 0.406 0.628
A 1518 GLN 0.369 0.016 0.130 0.561
A 1519 ALA 0.487 0.233 0.443 0.663
A 1520 MET 0.386 -0.134 0.312 0.461
A 1521 ALA 0.469 0.232 0.481 0.422
A 1522 LYS 0.439 0.253 0.443 0.436
A 1523 PHE 0.486 0.121 0.486 0.485
A 1524 PHE 0.605 0.406 0.538 0.643
A 1525 LYS 0.472 0.245 0.497 0.453
A 1526 GLY 0.370 0.217 0.370 N/A
A 1527 LEU 0.369 -0.156 0.281 0.456
A 1528 ALA 0.502 0.228 0.512 0.463
A 1529 SER 0.496 0.293 0.507 0.474
A 1530 SER 0.606 0.383 0.572 0.675
A 1531 GLY 0.455 0.325 0.455 N/A
A 1532 ALA 0.550 0.104 0.661 0.104
A 1533 TRP 0.641 0.332 0.694 0.620
A 1534 ALA 0.640 0.475 0.682 0.475
A 1535 CYS 0.543 0.282 0.550 0.527
A 1536 PHE 0.514 0.369 0.507 0.519
A 1537 ASP 0.614 0.402 0.724 0.505
A 1538 GLU 0.385 -0.164 0.545 0.257
A 1539 PHE 0.690 0.511 0.692 0.689
A 1540 ASN 0.552 0.157 0.612 0.492
A 1541 ARG 0.592 0.374 0.629 0.570
A 1542 ILE 0.555 -0.009 0.620 0.491
A 1543 ASP 0.268 -0.211 0.411 0.124
A 1544 LEU 0.373 -0.315 0.487 0.258
A 1545 GLU 0.362 -0.447 0.616 0.159
A 1546 VAL 0.441 -0.062 0.591 0.241
A 1547 LEU 0.479 0.122 0.383 0.575
A 1548 SER 0.654 0.451 0.649 0.664
A 1549 VAL 0.435 0.206 0.400 0.481
A 1550 VAL 0.302 -0.060 0.470 0.077
A 1551 ALA 0.535 0.255 0.606 0.255
A 1552 GLN 0.577 0.129 0.461 0.670
A 1553 GLN 0.493 0.322 0.405 0.563
A 1554 ILE 0.482 -0.201 0.606 0.358
A 1555 LEU 0.402 0.142 0.390 0.414
A 1556 THR 0.628 0.459 0.688 0.548
A 1557 ILE 0.567 0.348 0.506 0.627
A 1558 GLN 0.366 -0.062 0.508 0.253
A 1559 LEU 0.539 0.304 0.621 0.456
A 1560 ALA 0.390 0.152 0.450 0.152
A 1561 ILE 0.463 0.211 0.504 0.423
A 1562 GLN 0.561 0.313 0.516 0.597
A 1563 ALA 0.629 0.488 0.664 0.488
A 1564 LYS 0.097 -0.410 0.089 0.104
A 1565 VAL 0.171 -0.302 0.173 0.168
A 1566 LYS 0.092 -0.314 0.042 0.132
A 1567 ARG 0.243 -0.088 0.229 0.252
A 1568 PHE 0.543 0.412 0.538 0.546
A 1569 ILE 0.491 0.113 0.622 0.359
A 1570 PHE 0.506 0.280 0.596 0.455
A 1571 GLU 0.621 0.341 0.685 0.571
A 1572 ASP 0.464 0.037 0.562 0.366
A 1573 THR 0.324 -0.167 0.238 0.440
A 1574 GLU 0.461 0.194 0.540 0.398
A 1575 ILE 0.416 -0.089 0.265 0.566
A 1576 ASP 0.183 -0.440 0.355 0.011
A 1577 LEU 0.399 -0.083 0.488 0.310
A 1578 ASN 0.384 0.168 0.395 0.373
A 1579 PRO 0.697 0.504 0.726 0.658
A 1580 ALA 0.583 0.406 0.589 0.562
A 1581 CYS 0.456 -0.002 0.584 0.199
A 1582 SER 0.520 0.151 0.632 0.295
A 1583 VAL 0.612 0.131 0.565 0.675
A 1584 TYR 0.522 0.192 0.573 0.496
A 1585 ILE 0.591 0.170 0.609 0.574
A 1586 THR 0.516 0.109 0.610 0.392
A 1587 MET 0.358 -0.077 0.405 0.311
A 1588 ASN 0.363 -0.230 0.532 0.195
A 1589 PRO 0.729 0.583 0.752 0.700
A 1590 GLY 0.614 0.497 0.614 N/A
A 1591 TYR 0.349 0.010 0.327 0.360
A 1592 ALA 0.608 0.381 0.621 0.553
A 1593 GLY 0.582 0.265 0.582 N/A
A 1594 ARG 0.634 0.230 0.516 0.702
A 1595 SER 0.627 0.324 0.602 0.677
A 1596 GLU 0.479 -0.098 0.720 0.287
A 1597 LEU 0.566 0.160 0.527 0.604
A 1598 PRO 0.588 0.096 0.509 0.695
A 1599 ASP 0.228 -0.510 0.461 -0.005
A 1600 ASN 0.381 -0.127 0.399 0.364
A 1601 LEU 0.526 0.208 0.492 0.561
A 1602 LYS 0.519 0.246 0.519 0.518
A 1603 ALA 0.548 0.410 0.538 0.587
A 1604 LEU 0.492 0.155 0.448 0.537
A 1605 PHE 0.478 -0.146 0.688 0.358
A 1606 ARG 0.628 0.291 0.721 0.575
A 1607 PRO 0.609 0.148 0.539 0.702
A 1608 CYS 0.639 0.308 0.678 0.562
A 1609 ALA 0.635 0.428 0.687 0.428
A 1610 MET 0.652 0.423 0.697 0.608
A 1611 MET 0.290 -0.227 0.566 0.015
A 1612 VAL 0.547 -0.055 0.693 0.354
A 1613 PRO 0.538 0.124 0.504 0.583
A 1614 ASP 0.579 0.223 0.578 0.581
A 1615 TYR 0.562 0.289 0.590 0.548
A 1616 ALA 0.573 0.229 0.571 0.579
A 1617 LEU 0.573 0.296 0.679 0.466
A 1618 ILE 0.545 0.222 0.602 0.487
A 1619 ALA 0.466 0.141 0.437 0.582
A 1620 GLU 0.620 0.313 0.614 0.625
A 1621 ILE 0.435 0.129 0.557 0.312
A 1622 CYS 0.461 0.116 0.452 0.480
A 1623 LEU 0.647 0.472 0.666 0.628
A 1624 TYR 0.524 0.130 0.345 0.614
A 1625 SER 0.575 0.287 0.698 0.327
A 1626 TYR 0.570 0.382 0.557 0.577
A 1627 GLY 0.517 0.352 0.517 N/A
A 1628 TYR 0.214 -0.087 0.160 0.241
A 1629 LYS 0.479 0.282 0.556 0.417
A 1630 ASN 0.320 0.027 0.359 0.281
A 1631 GLY -0.119 -0.544 -0.119 N/A
A 1632 LYS 0.376 -0.172 0.198 0.519
A 1633 ASP 0.472 0.130 0.462 0.481
A 1634 LEU 0.391 0.150 0.442 0.339
A 1635 ALA 0.372 0.006 0.370 0.382
A 1636 ARG 0.459 -0.114 0.426 0.478
A 1637 LYS 0.384 -0.056 0.380 0.387
A 1638 MET 0.263 -0.237 0.328 0.199
A 1639 VAL 0.595 0.449 0.616 0.567
A 1640 ALA 0.685 0.531 0.665 0.763
A 1641 THR 0.448 0.154 0.525 0.344
A 1642 PHE 0.460 0.054 0.420 0.484
A 1643 LYS 0.508 0.052 0.388 0.604
A 1644 LEU 0.626 0.400 0.694 0.557
A 1645 CYS 0.400 -0.015 0.326 0.549
A 1646 SER 0.458 0.085 0.524 0.326
A 1647 GLU 0.539 0.329 0.491 0.578
A 1648 GLN 0.575 0.285 0.465 0.662
A 1649 LEU 0.365 -0.111 0.207 0.523
A 1650 SER 0.573 0.163 0.706 0.308
A 1651 SER 0.447 -0.130 0.584 0.173
A 1652 GLN 0.652 0.539 0.719 0.599
A 1653 ASP 0.445 0.227 0.513 0.377
A 1654 HIS 0.711 0.588 0.713 0.709
A 1655 TYR 0.603 0.146 0.487 0.662
A 1656 ASP 0.371 0.083 0.468 0.274
A 1657 TYR 0.700 0.454 0.697 0.701
A 1658 GLY 0.678 0.580 0.678 N/A
A 1659 MET 0.305 -0.340 0.511 0.098
A 1660 ARG 0.496 -0.357 0.655 0.404
A 1661 ALA 0.635 0.408 0.637 0.629
A 1662 VAL 0.548 0.017 0.679 0.373
A 1663 LYS 0.573 0.220 0.632 0.526
A 1664 SER 0.440 -0.130 0.602 0.117
A 1665 VAL 0.580 0.209 0.717 0.396
A 1666 ILE 0.521 -0.057 0.615 0.428
A 1667 THR 0.521 0.247 0.600 0.417
A 1668 ALA 0.572 0.309 0.590 0.502
A 1669 ALA 0.694 0.537 0.733 0.537
A 1670 GLY 0.382 0.268 0.382 N/A
A 1671 ASN 0.370 0.097 0.460 0.281
A 1672 LEU 0.583 0.292 0.662 0.504
A 1673 LYS 0.462 0.149 0.513 0.421
A 1674 ARG 0.121 -0.563 0.458 -0.071
A 1675 GLU 0.108 -0.549 0.487 -0.195
A 1676 PHE 0.038 -0.558 -0.284 0.222
A 1677 PRO -0.278 -0.560 -0.383 -0.138
A 1678 ASP 0.213 -0.488 0.475 -0.050
A 1679 ASP -0.223 -0.556 -0.280 -0.167
A 1680 ASP -0.047 -0.390 -0.046 -0.049
A 1681 GLU 0.039 -0.467 0.275 -0.150
A 1682 GLU -0.052 -0.663 0.012 -0.103
A 1683 VAL 0.477 -0.058 0.327 0.678
A 1684 LEU 0.423 0.150 0.387 0.459
A 1685 LEU 0.367 -0.439 0.222 0.512
A 1686 LEU 0.215 -0.409 0.135 0.296
A 1687 ARG 0.350 -0.248 0.340 0.357
A 1688 ALA 0.475 0.171 0.542 0.208
A 1689 LEU 0.426 -0.035 0.418 0.434
A 1690 ARG 0.264 -0.238 0.203 0.299
A 1691 ASP 0.328 -0.104 0.504 0.152
A 1692 VAL 0.478 -0.093 0.523 0.418
A 1693 ASN 0.467 -0.483 0.366 0.567
A 1694 VAL 0.534 -0.031 0.418 0.688
A 1695 PRO 0.611 0.127 0.578 0.654
A 1696 LYS 0.446 0.001 0.669 0.268
A 1697 PHE 0.647 0.497 0.650 0.646
A 1698 LEU 0.554 0.350 0.619 0.489
A 1699 SER 0.591 0.314 0.587 0.597
A 1700 HIS 0.717 0.579 0.661 0.754
A 1701 ASP 0.468 0.090 0.535 0.402
A 1702 LEU 0.403 0.026 0.582 0.225
A 1703 PRO 0.635 0.369 0.749 0.485
A 1704 LEU 0.535 0.175 0.584 0.486
A 1705 PHE 0.568 0.301 0.566 0.569
A 1706 ASP 0.265 -0.144 0.470 0.060
A 1707 GLY 0.550 0.479 0.550 N/A
A 1708 ILE 0.497 0.064 0.474 0.519
A 1709 ILE 0.254 -0.274 0.462 0.046
A 1710 THR 0.581 0.520 0.555 0.616
A 1711 ASP 0.046 -0.509 0.221 -0.128
A 1712 LEU 0.007 -0.601 0.080 -0.065
A 1713 PHE 0.198 -0.133 0.000 0.311
A 1714 PRO 0.273 -0.320 0.045 0.577
A 1715 GLY 0.264 -0.028 0.264 N/A
A 1716 VAL 0.156 -0.290 0.265 0.012
A 1717 LYS 0.414 -0.152 0.203 0.583
A 1718 MET 0.388 -0.024 0.479 0.296
A 1719 PRO 0.418 -0.181 0.560 0.228
A 1720 GLU 0.468 -0.037 0.344 0.567
A 1721 VAL 0.049 -0.438 0.009 0.102
A 1722 ASP 0.224 0.062 0.081 0.367
A 1723 TYR 0.282 -0.136 0.464 0.191
A 1724 ASN 0.344 -0.081 0.291 0.396
A 1725 SER 0.370 0.072 0.332 0.445
A 1726 LEU 0.466 -0.267 0.372 0.559
A 1727 LEU -0.107 -0.443 0.101 -0.315
A 1728 LYS 0.293 -0.277 0.294 0.292
A 1729 ALA -0.006 -0.384 -0.025 0.070
A 1730 LEU 0.093 -0.497 0.086 0.099
A 1731 ASP -0.083 -0.412 -0.080 -0.085
A 1732 GLU 0.267 -0.206 0.244 0.285
A 1733 SER 0.290 -0.498 0.327 0.217
A 1734 CYS 0.041 -0.540 0.057 0.008
A 1735 GLY 0.619 0.432 0.619 N/A
A 1736 GLU 0.599 0.229 0.605 0.594
A 1737 LEU 0.579 0.244 0.569 0.589
A 1738 GLY 0.649 0.537 0.649 N/A
A 1739 ILE 0.444 -0.088 0.500 0.388
A 1740 GLN 0.086 -0.572 -0.010 0.163
A 1741 PRO 0.523 0.356 0.511 0.540
A 1742 VAL 0.173 -0.103 0.204 0.131
A 1743 GLU 0.241 -0.046 0.308 0.188
A 1744 SER 0.411 0.079 0.477 0.280
A 1745 PHE 0.463 -0.064 0.265 0.576
A 1746 VAL 0.527 0.276 0.518 0.539
A 1747 GLY 0.557 0.334 0.557 N/A
A 1748 LYS 0.396 0.142 0.485 0.324
A 1749 VAL 0.206 -0.243 0.252 0.143
A 1750 ILE 0.599 0.385 0.604 0.593
A 1751 GLN 0.433 0.045 0.430 0.436
A 1752 LEU 0.237 -0.605 0.400 0.073
A 1753 TYR 0.576 0.184 0.518 0.605
A 1754 GLU 0.415 0.210 0.378 0.444
A 1755 THR 0.434 0.001 0.561 0.264
A 1756 THR 0.314 -0.204 0.379 0.226
A 1757 ILE 0.527 0.260 0.572 0.483
A 1758 VAL 0.587 0.311 0.574 0.605
A 1759 ARG 0.504 -0.046 0.658 0.416
A 1760 HIS 0.588 0.125 0.702 0.511
A 1761 GLY 0.532 0.300 0.532 N/A
A 1762 LEU 0.550 0.161 0.537 0.563
A 1763 MET 0.561 0.285 0.630 0.493
A 1764 LEU 0.560 -0.132 0.434 0.685
A 1765 VAL 0.664 0.480 0.720 0.588
A 1766 GLY 0.541 0.212 0.541 N/A
A 1767 PRO 0.644 0.386 0.625 0.670
A 1768 THR 0.599 -0.030 0.725 0.430
A 1769 MET 0.540 0.253 0.601 0.480
A 1770 GLY 0.486 0.262 0.486 N/A
A 1771 GLY 0.458 0.344 0.458 N/A
A 1772 LYS 0.594 0.226 0.676 0.528
A 1773 THR 0.461 0.286 0.548 0.344
A 1774 CYS 0.487 0.037 0.543 0.374
A 1775 CYS 0.503 0.310 0.541 0.426
A 1776 TYR 0.510 0.087 0.497 0.516
A 1777 ARG 0.511 0.197 0.538 0.496
A 1778 SER 0.573 0.308 0.626 0.467
A 1779 LEU 0.330 -0.463 0.570 0.090
A 1780 GLN 0.194 -0.308 0.568 -0.104
A 1781 LYS 0.302 -0.394 0.402 0.221
A 1782 ALA 0.314 -0.029 0.378 0.057
A 1783 MET 0.413 0.185 0.524 0.302
A 1784 THR 0.177 -0.631 0.408 -0.131
A 1785 LYS -0.013 -0.791 0.517 -0.437
A 1786 LEU 0.108 -0.376 0.174 0.042
A 1787 ALA 0.120 -0.558 0.289 -0.558
A 1788 ALA -0.055 -0.460 0.022 -0.363
A 1789 ALA 0.068 -0.380 0.072 0.054
A 1790 GLY -0.001 -0.101 -0.001 N/A
A 1791 ASP -0.474 -0.720 -0.456 -0.493
A 1792 SER 0.264 -0.273 0.276 0.238
A 1793 LYS -0.024 -0.387 0.121 -0.140
A 1794 TYR 0.138 -0.524 0.236 0.089
A 1795 GLU 0.107 -0.320 -0.003 0.195
A 1796 ARG 0.202 -0.435 0.366 0.109
A 1797 VAL 0.394 -0.401 0.669 0.027
A 1798 ARG 0.157 -0.529 0.397 0.019
A 1799 VAL 0.688 0.401 0.660 0.726
A 1800 VAL 0.704 0.468 0.696 0.714
A 1801 ALA 0.507 0.274 0.543 0.360
A 1802 LEU 0.579 0.268 0.546 0.613
A 1803 ASN 0.530 0.386 0.625 0.436
A 1804 PRO 0.459 0.245 0.500 0.404
A 1805 LYS 0.606 0.340 0.653 0.569
A 1806 SER 0.568 0.235 0.675 0.353
A 1807 ILE 0.559 0.247 0.682 0.436
A 1808 THR 0.549 0.243 0.618 0.457
A 1809 MET 0.520 0.277 0.564 0.476
A 1810 GLY 0.545 0.346 0.545 N/A
A 1811 GLN 0.589 0.396 0.656 0.535
A 1812 LEU 0.425 -0.032 0.489 0.361
A 1813 TYR 0.533 -0.077 0.707 0.446
A 1814 GLY 0.401 0.133 0.401 N/A
A 1815 GLU 0.360 -0.169 0.304 0.405
A 1816 PHE 0.614 0.412 0.682 0.575
A 1817 ASP 0.216 -0.077 0.342 0.090
A 1818 GLU 0.202 -0.447 0.363 0.073
A 1819 ASN 0.145 -0.142 0.028 0.262
A 1820 THR 0.308 -0.120 0.375 0.218
A 1821 HIS 0.123 -0.510 0.610 -0.202
A 1822 GLU 0.510 -0.175 0.752 0.316
A 1823 TRP 0.515 0.185 0.648 0.461
A 1824 THR 0.444 0.078 0.477 0.401
A 1825 ASP 0.550 0.038 0.693 0.407
A 1826 GLY 0.622 0.455 0.622 N/A
A 1827 VAL 0.632 0.425 0.648 0.611
A 1828 LEU 0.375 -0.508 0.570 0.180
A 1829 ALA 0.585 0.385 0.614 0.468
A 1830 CYS 0.411 -0.007 0.479 0.275
A 1831 TYR 0.520 0.272 0.476 0.542
A 1832 MET 0.426 0.185 0.478 0.374
A 1833 ARG 0.312 -0.124 0.424 0.248
A 1834 GLU 0.289 -0.317 0.443 0.166
A 1835 CYS 0.311 -0.023 0.288 0.356
A 1836 SER 0.285 -0.176 0.372 0.110
A 1837 GLU 0.214 -0.383 0.595 -0.091
A 1838 ASP 0.197 -0.474 0.008 0.385
A 1839 THR 0.302 -0.186 0.190 0.452
A 1840 LYS 0.106 -0.501 0.146 0.075
A 1841 PRO 0.543 0.284 0.448 0.671
A 1842 ASP 0.313 0.004 0.416 0.210
A 1843 LYS 0.489 -0.121 0.647 0.362
A 1844 LYS 0.530 0.103 0.521 0.537
A 1845 TRP 0.671 -0.205 0.459 0.756
A 1846 ILE 0.666 0.522 0.705 0.627
A 1847 MET 0.159 -0.436 0.210 0.107
A 1848 PHE 0.647 0.552 0.684 0.626
A 1849 ASP 0.515 0.140 0.511 0.519
A 1850 GLY 0.341 0.119 0.341 N/A
A 1851 PRO 0.597 0.346 0.533 0.683
A 1852 VAL 0.592 0.355 0.687 0.465
A 1853 ASP 0.502 0.192 0.632 0.371
A 1854 ALA 0.614 0.342 0.682 0.342
A 1855 VAL 0.608 0.198 0.574 0.654
A 1856 TRP 0.621 0.354 0.622 0.621
A 1857 ILE 0.542 0.278 0.543 0.542
A 1858 GLU 0.304 -0.484 0.656 0.023
A 1859 ASN 0.566 0.253 0.583 0.548
A 1860 MET 0.461 -0.161 0.626 0.295
A 1861 ASN 0.531 0.038 0.508 0.554
A 1862 THR 0.476 -0.349 0.389 0.591
A 1863 VAL 0.588 0.480 0.577 0.603
A 1864 LEU 0.566 0.120 0.649 0.483
A 1865 ASP 0.584 0.083 0.728 0.440
A 1866 ASP 0.529 0.211 0.635 0.422
A 1867 ASN 0.591 0.185 0.629 0.552
A 1868 LYS 0.423 0.016 0.641 0.249
A 1869 LYS 0.566 -0.062 0.671 0.481
A 1870 LEU 0.658 0.427 0.699 0.616
A 1871 CYS 0.548 -0.077 0.706 0.233
A 1872 LEU 0.488 0.237 0.399 0.576
A 1873 VAL 0.645 0.520 0.671 0.609
A 1874 SER 0.614 0.311 0.661 0.520
A 1875 GLY 0.058 -0.088 0.058 N/A
A 1876 GLU 0.489 0.324 0.575 0.420
A 1877 ILE 0.482 -0.304 0.717 0.248
A 1878 ILE 0.489 -0.004 0.492 0.485
A 1879 GLN 0.564 0.196 0.645 0.499
A 1880 LEU 0.535 0.288 0.603 0.466
A 1881 SER 0.414 -0.010 0.546 0.150
A 1882 ALA 0.496 0.268 0.471 0.594
A 1883 SER 0.711 0.501 0.760 0.615
A 1884 MET 0.437 0.081 0.490 0.383
A 1885 THR 0.602 0.294 0.601 0.604
A 1886 MET 0.685 0.438 0.703 0.666
A 1887 MET 0.217 -0.603 0.352 0.082
A 1888 PHE 0.540 0.244 0.675 0.463
A 1889 GLU 0.419 0.024 0.437 0.404
A 1890 VAL 0.539 0.362 0.536 0.543
A 1891 GLU 0.636 0.355 0.522 0.728
A 1892 ASP 0.470 0.083 0.704 0.235
A 1893 LEU 0.599 0.258 0.489 0.710
A 1894 ALA 0.609 0.469 0.593 0.673
A 1895 VAL 0.600 0.425 0.631 0.559
A 1896 ALA 0.708 0.608 0.729 0.622
A 1897 SER 0.687 0.405 0.668 0.724
A 1898 PRO 0.560 0.321 0.658 0.429
A 1899 ALA 0.679 0.443 0.674 0.698
A 1900 THR 0.610 0.452 0.672 0.528
A 1901 VAL 0.661 0.501 0.694 0.618
A 1902 SER 0.535 0.214 0.527 0.549
A 1903 ARG 0.554 -0.278 0.759 0.437
A 1904 CYS 0.629 0.210 0.599 0.689
A 1905 GLY 0.597 0.297 0.597 N/A
A 1906 MET 0.391 -0.060 0.591 0.192
A 1907 VAL 0.607 0.426 0.641 0.562
A 1908 TYR 0.688 0.263 0.562 0.751
A 1909 MET 0.385 -0.055 0.433 0.336
A 1910 GLU 0.658 0.541 0.648 0.666
A 1911 PRO 0.489 0.332 0.569 0.381
A 1912 THR 0.539 0.247 0.672 0.361
A 1913 ALA 0.639 0.410 0.696 0.410
A 1914 LEU 0.474 0.104 0.631 0.316
A 1915 GLY 0.611 0.420 0.611 N/A
A 1916 LEU 0.521 0.208 0.680 0.362
A 1917 GLU 0.399 0.066 0.430 0.375
A 1918 PRO 0.224 0.009 0.305 0.116
A 1919 LEU 0.306 -0.417 0.458 0.154
A 1920 LEU 0.123 -0.535 0.352 -0.106
A 1921 THR 0.491 -0.015 0.579 0.374
A 1922 SER 0.298 -0.176 0.443 0.008
A 1923 TRP 0.224 -0.226 0.434 0.140
A 1924 LEU 0.402 0.048 0.411 0.393
A 1925 ALA 0.188 -0.045 0.178 0.228
A 1926 ARG 0.365 -0.103 0.402 0.343
A 1927 LEU 0.072 -0.608 0.373 -0.229
A 1928 PRO 0.428 0.199 0.562 0.249
A 1929 PRO 0.348 0.016 0.335 0.365
A 1930 GLY 0.367 -0.026 0.367 N/A
A 1931 GLY 0.348 0.099 0.348 N/A
A 1932 VAL 0.112 -0.381 0.264 -0.089
A 1933 ALA 0.367 -0.173 0.366 0.372
A 1934 GLU 0.474 -0.111 0.690 0.302
A 1935 ASN 0.059 -0.285 -0.055 0.172
A 1936 SER -0.387 -0.650 -0.342 -0.477
A 1937 GLY 0.032 -0.171 0.032 N/A
A 1938 LYS 0.274 -0.306 0.386 0.185
A 1939 LEU -0.225 -0.534 -0.151 -0.300
A 1940 GLY 0.111 -0.069 0.111 N/A
A 1941 ALA 0.312 -0.235 0.254 0.545
A 1942 ILE 0.239 -0.127 0.204 0.274
A 1943 PHE 0.379 -0.057 0.289 0.430
A 1944 ASN 0.354 -0.138 0.223 0.484
A 1945 ALA 0.511 0.202 0.472 0.668
A 1946 LEU 0.390 0.084 0.321 0.458
A 1947 VAL 0.145 -0.233 0.230 0.031
A 1948 PRO 0.418 0.180 0.349 0.510
A 1949 ASP 0.548 0.365 0.491 0.605
A 1950 ALA 0.383 0.116 0.364 0.462
A 1951 LEU 0.490 0.031 0.427 0.553
A 1952 ARG 0.321 -0.196 0.543 0.195
A 1953 PHE 0.430 0.060 0.646 0.307
A 1954 LEU 0.555 0.104 0.558 0.552
A 1955 ARG 0.665 0.418 0.684 0.654
A 1956 LYS 0.561 -0.118 0.688 0.459
A 1957 ASN 0.574 0.014 0.730 0.418
A 1958 LEU 0.459 -0.222 0.608 0.309
A 1959 LYS 0.391 -0.130 0.472 0.326
A 1960 GLU 0.448 0.011 0.693 0.252
A 1961 THR 0.640 0.378 0.659 0.614
A 1962 VAL 0.490 0.146 0.570 0.384
A 1963 THR 0.480 0.144 0.547 0.389
A 1964 THR 0.563 0.204 0.743 0.323
A 1965 VAL 0.600 0.189 0.575 0.633
A 1966 ASN 0.580 0.079 0.512 0.649
A 1967 ASN 0.516 -0.299 0.677 0.356
A 1968 ASN 0.447 0.297 0.517 0.377
A 1969 LEU 0.528 0.118 0.515 0.540
A 1970 VAL 0.553 0.445 0.551 0.555
A 1971 ALA 0.509 0.327 0.479 0.630
A 1972 SER 0.201 -0.499 0.492 -0.382
A 1973 CYS 0.572 0.315 0.518 0.678
A 1974 PHE 0.537 0.302 0.638 0.479
A 1975 GLY 0.660 0.643 0.660 N/A
A 1976 LEU 0.473 0.229 0.517 0.430
A 1977 MET 0.591 0.371 0.584 0.598
A 1978 ASP 0.246 -0.016 0.366 0.126
A 1979 SER 0.260 -0.065 0.393 -0.008
A 1980 LEU 0.457 -0.100 0.615 0.299
A 1981 THR 0.560 0.172 0.702 0.370
A 1982 LYS 0.305 -0.133 0.511 0.140
A 1983 PRO 0.409 0.043 0.488 0.303
A 1984 PHE 0.502 0.270 0.648 0.418
A 1985 VAL 0.273 -0.098 0.426 0.070
A 1986 ARG 0.403 -0.024 0.242 0.496
A 1987 GLY 0.527 0.315 0.527 N/A
A 1988 GLU 0.088 -0.456 0.250 -0.041
A 1989 GLY -0.025 -0.268 -0.025 N/A
A 1990 GLU -0.084 -0.550 -0.038 -0.120
A 1991 ASP 0.100 -0.263 -0.020 0.220
A 1992 PRO 0.147 -0.278 0.167 0.122
A 1993 LEU 0.212 -0.686 0.384 0.040
A 1994 THR 0.256 -0.125 0.307 0.187
A 1995 ALA 0.268 -0.165 0.180 0.616
A 1996 ASP 0.024 -0.696 -0.411 0.458
A 1997 GLU 0.080 -0.367 0.228 -0.038
A 1998 LYS 0.015 -0.456 0.016 0.015
A 1999 VAL 0.104 -0.341 0.166 0.022
A 2000 LYS 0.201 -0.173 -0.000 0.363
A 2001 LEU 0.250 -0.488 0.007 0.494
A 2002 GLY 0.188 -0.016 0.188 N/A
A 2003 GLY 0.380 0.013 0.380 N/A
A 2004 PHE 0.231 -0.314 0.089 0.312
A 2005 LEU 0.372 -0.143 0.057 0.687
A 2006 PRO 0.432 -0.027 0.277 0.638
A 2007 SER 0.254 -0.242 0.294 0.174
A 2008 LEU 0.482 0.111 0.502 0.462
A 2009 MET 0.503 0.043 0.453 0.554
A 2010 LEU 0.466 0.089 0.343 0.590
A 2011 PHE 0.509 0.079 0.372 0.586
A 2012 SER 0.363 -0.073 0.358 0.372
A 2013 ILE 0.265 0.093 0.226 0.305
A 2014 VAL 0.539 0.269 0.557 0.517
A 2015 TRP 0.514 0.114 0.514 0.514
A 2016 SER 0.448 -0.000 0.429 0.487
A 2017 LEU 0.288 -0.173 0.405 0.171
A 2018 GLY 0.643 0.526 0.643 N/A
A 2019 ALA 0.503 0.217 0.561 0.272
A 2020 SER 0.545 0.129 0.545 0.545
A 2021 CYS 0.577 0.276 0.609 0.513
A 2022 ASP 0.404 -0.051 0.465 0.343
A 2023 LYS 0.383 -0.085 0.693 0.135
A 2024 ALA 0.498 0.381 0.527 0.381
A 2025 GLY 0.576 0.532 0.576 N/A
A 2026 ARG 0.451 0.064 0.379 0.493
A 2027 THR 0.524 0.127 0.688 0.305
A 2028 LEU 0.531 0.347 0.633 0.428
A 2029 PHE 0.430 -0.240 0.594 0.336
A 2030 ASP 0.158 -0.478 0.194 0.123
A 2031 GLU 0.327 0.054 0.570 0.132
A 2032 TRP 0.484 0.299 0.675 0.408
A 2033 PHE 0.412 0.105 0.568 0.323
A 2034 ARG 0.321 -0.337 0.549 0.190
A 2035 LYS 0.541 0.355 0.560 0.525
A 2036 HIS 0.401 -0.155 0.185 0.545
A 2037 ALA 0.113 -0.512 0.269 -0.512
A 2038 ALA 0.568 0.195 0.559 0.606
A 2039 GLU -0.199 -0.691 -0.118 -0.264
A 2040 CYS -0.159 -0.702 0.084 -0.645
A 2041 GLY 0.492 0.212 0.492 N/A
A 2042 LEU 0.066 -0.550 -0.038 0.169
A 2043 PRO 0.313 -0.125 0.144 0.539
A 2044 LEU -0.020 -0.630 0.058 -0.098
A 2045 GLU 0.365 -0.305 0.181 0.512
A 2046 GLY -0.160 -0.413 -0.160 N/A
A 2047 ALA 0.398 0.120 0.327 0.680
A 2048 MET 0.170 -0.409 0.297 0.044
A 2049 PHE 0.450 0.162 0.378 0.492
A 2050 PRO 0.245 -0.568 0.530 -0.135
A 2051 GLY -0.005 -0.576 -0.005 N/A
A 2052 GLU 0.133 -0.188 0.358 -0.047
A 2053 GLY 0.509 0.422 0.509 N/A
A 2054 THR 0.428 0.005 0.630 0.159
A 2055 VAL 0.376 0.031 0.450 0.278
A 2056 TYR 0.531 0.286 0.477 0.558
A 2057 ASP 0.406 0.077 0.578 0.234
A 2058 TRP 0.639 0.301 0.707 0.612
A 2059 VAL 0.607 0.412 0.650 0.549
A 2060 TYR 0.450 -0.385 0.601 0.374
A 2061 ASP 0.337 -0.194 0.614 0.059
A 2062 THR 0.511 0.104 0.559 0.446
A 2063 ASP 0.456 0.163 0.566 0.346
A 2064 GLY 0.459 0.329 0.459 N/A
A 2065 THR 0.228 -0.101 0.242 0.209
A 2066 PHE 0.233 -0.259 0.386 0.146
A 2067 ALA 0.328 -0.027 0.417 -0.027
A 2068 GLU 0.261 -0.547 0.520 0.054
A 2069 GLY 0.352 0.255 0.352 N/A
A 2070 GLY -0.007 -0.247 -0.007 N/A
A 2071 ALA 0.521 0.188 0.509 0.569
A 2072 PRO 0.637 0.298 0.610 0.675
A 2073 GLY 0.575 0.383 0.575 N/A
A 2074 TRP 0.319 -0.494 0.353 0.306
A 2075 VAL 0.051 -0.473 -0.215 0.406
A 2076 GLY 0.658 0.464 0.658 N/A
A 2077 TRP 0.481 0.302 0.537 0.458
A 2078 MET 0.353 -0.418 0.576 0.131
A 2079 ALA 0.673 0.531 0.709 0.531
A 2080 THR 0.416 0.104 0.394 0.444
A 2081 VAL 0.251 -0.058 0.256 0.244
A 2082 PRO 0.387 0.055 0.301 0.501
A 2083 GLU 0.221 -0.167 0.229 0.214
A 2084 PHE 0.352 -0.011 0.352 0.352
A 2085 LYS 0.211 -0.425 -0.028 0.403
A 2086 CYS 0.207 -0.173 0.306 0.009
A 2087 ASP -0.020 -0.468 -0.169 0.129
A 2088 PRO 0.517 0.190 0.386 0.691
A 2089 ASP 0.633 0.316 0.617 0.649
A 2090 ARG 0.186 -0.288 0.354 0.089
A 2091 PRO 0.343 0.071 0.170 0.574
A 2092 PHE 0.540 0.011 0.568 0.524
A 2093 SER 0.291 -0.131 0.204 0.467
A 2094 GLU 0.354 0.117 0.321 0.380
A 2095 ILE 0.460 -0.159 0.377 0.542
A 2096 ILE 0.658 0.449 0.622 0.694
A 2097 VAL 0.530 0.061 0.506 0.561
A 2098 PRO 0.552 0.322 0.623 0.456
A 2099 THR 0.419 0.143 0.518 0.286
A 2100 ALA 0.539 0.192 0.503 0.682
A 2101 ASP 0.234 -0.109 0.331 0.137
A 2102 THR 0.539 0.238 0.515 0.570
A 2103 VAL 0.549 0.281 0.453 0.678
A 2104 ARG 0.616 0.245 0.621 0.614
A 2105 TYR 0.319 -0.712 0.651 0.153
A 2106 THR 0.404 0.159 0.426 0.375
A 2107 TYR 0.452 -0.024 0.598 0.379
A 2108 VAL 0.543 0.225 0.611 0.454
A 2109 VAL 0.604 0.410 0.670 0.515
A 2110 ASP 0.454 0.185 0.426 0.482
A 2111 LYS 0.571 0.451 0.558 0.581
A 2112 LEU 0.574 0.097 0.662 0.486
A 2113 VAL 0.501 0.316 0.513 0.485
A 2114 ALA 0.611 0.324 0.608 0.622
A 2115 ASN 0.298 0.072 0.308 0.288
A 2116 GLN 0.473 -0.047 0.481 0.468
A 2117 ARG 0.441 0.000 0.479 0.419
A 2118 HIS 0.459 0.093 0.323 0.549
A 2119 VAL 0.439 0.076 0.380 0.517
A 2120 LEU 0.446 0.080 0.475 0.416
A 2121 CYS 0.654 0.507 0.684 0.593
A 2122 VAL 0.567 0.320 0.657 0.447
A 2123 GLY 0.487 0.381 0.487 N/A
A 2124 GLU 0.348 -0.017 0.366 0.334
A 2125 THR 0.602 0.374 0.680 0.499
A 2126 GLY 0.550 0.417 0.550 N/A
A 2127 THR 0.490 -0.053 0.706 0.203
A 2128 GLY 0.638 0.518 0.638 N/A
A 2129 LYS 0.357 -0.046 0.515 0.232
A 2130 THR 0.429 -0.022 0.512 0.320
A 2131 LEU 0.353 0.080 0.413 0.293
A 2132 ASN 0.677 0.532 0.643 0.711
A 2133 VAL 0.515 0.242 0.580 0.429
A 2134 SER 0.439 0.131 0.470 0.376
A 2135 ASN 0.549 0.461 0.554 0.544
A 2136 LYS 0.512 0.383 0.559 0.474
A 2137 LEU 0.474 -0.067 0.581 0.367
A 2138 LEU 0.340 -0.149 0.283 0.396
A 2139 ASN 0.534 0.020 0.669 0.399
A 2140 ASP 0.126 -0.133 0.073 0.178
A 2141 MET 0.013 -0.358 0.117 -0.091
A 2142 PRO -0.138 -0.367 -0.237 -0.005
A 2143 PRO 0.329 -0.184 0.169 0.542
A 2144 GLU 0.083 -0.328 0.286 -0.078
A 2145 VAL 0.146 -0.546 0.523 -0.357
A 2146 GLN 0.388 -0.344 0.201 0.537
A 2147 PRO 0.622 0.370 0.512 0.769
A 2148 VAL 0.526 0.287 0.487 0.579
A 2149 PHE 0.375 -0.302 0.614 0.238
A 2150 MET 0.434 0.007 0.444 0.424
A 2151 THR 0.393 -0.066 0.656 0.042
A 2152 PHE 0.568 0.101 0.412 0.658
A 2153 SER 0.498 0.162 0.548 0.399
A 2154 ALA 0.606 0.379 0.599 0.635
A 2155 ARG 0.493 -0.176 0.647 0.405
A 2156 THR 0.526 0.344 0.473 0.596
A 2157 SER 0.445 0.164 0.455 0.426
A 2158 ALA 0.441 0.111 0.523 0.111
A 2159 ASN 0.495 0.024 0.698 0.291
A 2160 GLN 0.216 -0.666 0.579 -0.075
A 2161 THR 0.686 0.521 0.754 0.595
A 2162 GLN 0.380 0.017 0.564 0.233
A 2163 ASP 0.661 0.239 0.617 0.704
A 2164 ILE 0.516 -0.125 0.694 0.338
A 2165 ILE 0.341 -0.145 0.559 0.123
A 2166 ASP 0.369 -0.182 0.674 0.063
A 2167 ALA 0.434 0.193 0.494 0.193
A 2168 LYS 0.463 0.098 0.659 0.307
A 2169 MET 0.444 0.144 0.456 0.433
A 2170 ASP 0.294 -0.206 0.645 -0.057
A 2171 LYS 0.454 -0.257 0.576 0.357
A 2172 ARG 0.408 -0.064 0.734 0.222
A 2173 ARG -0.011 -0.497 0.134 -0.093
A 2174 LYS 0.487 0.322 0.479 0.493
A 2175 GLY 0.089 -0.525 0.089 N/A
A 2176 VAL 0.322 -0.023 0.385 0.237
A 2177 PHE 0.429 -0.094 0.270 0.520
A 2178 GLY 0.517 0.405 0.517 N/A
A 2179 PRO 0.257 0.102 0.329 0.161
A 2180 PRO 0.655 0.522 0.626 0.693
A 2181 ALA 0.541 0.288 0.604 0.288
A 2182 GLY 0.595 0.545 0.595 N/A
A 2183 LYS 0.164 -0.144 0.206 0.130
A 2184 ARG 0.483 0.078 0.335 0.568
A 2185 MET 0.411 -0.048 0.394 0.428
A 2186 VAL 0.594 0.442 0.641 0.533
A 2187 ILE 0.500 0.031 0.376 0.625
A 2188 PHE 0.525 0.242 0.446 0.571
A 2189 ILE 0.296 -0.087 0.323 0.268
A 2190 ASP 0.427 0.105 0.543 0.312
A 2191 ASP 0.517 0.342 0.493 0.541
A 2192 LEU 0.543 0.255 0.497 0.588
A 2193 ASN 0.665 0.491 0.662 0.668
A 2194 MET 0.612 0.359 0.707 0.516
A 2195 PRO 0.569 0.050 0.543 0.605
A 2196 GLN 0.401 -0.125 0.568 0.267
A 2197 ARG 0.580 0.126 0.623 0.555
A 2198 GLU 0.450 -0.075 0.697 0.251
A 2199 LYS 0.542 0.287 0.568 0.522
A 2200 TYR 0.629 0.450 0.623 0.632
A 2201 PHE 0.526 0.254 0.497 0.542
A 2202 ALA 0.490 -0.010 0.453 0.637
A 2203 GLN 0.623 0.352 0.622 0.624
A 2204 PRO 0.621 0.263 0.595 0.656
A 2205 PRO 0.594 0.408 0.611 0.570
A 2206 ILE 0.666 0.511 0.716 0.617
A 2207 GLU 0.543 0.075 0.470 0.601
A 2208 LEU 0.625 0.468 0.664 0.585
A 2209 LEU 0.576 0.317 0.570 0.581
A 2210 ARG 0.605 0.401 0.551 0.636
A 2211 GLN 0.644 0.450 0.650 0.640
A 2212 TRP 0.514 0.103 0.320 0.591
A 2213 MET 0.506 0.002 0.664 0.348
A 2214 ASP 0.442 0.139 0.532 0.353
A 2215 HIS 0.469 0.275 0.604 0.379
A 2216 GLY 0.577 0.335 0.577 N/A
A 2217 GLY 0.520 0.324 0.520 N/A
A 2218 TRP 0.586 0.240 0.440 0.644
A 2219 TYR 0.562 0.328 0.470 0.608
A 2220 GLU 0.430 -0.017 0.483 0.387
A 2221 ARG 0.533 0.304 0.561 0.517
A 2222 LYS 0.175 -0.542 0.493 -0.080
A 2223 PRO 0.467 0.244 0.572 0.328
A 2224 PRO 0.449 0.058 0.300 0.646
A 2225 CYS 0.232 0.090 0.243 0.210
A 2226 PRO 0.530 0.322 0.465 0.618
A 2227 PHE 0.453 0.090 0.469 0.444
A 2228 ARG 0.030 -0.316 -0.037 0.068
A 2229 THR 0.332 0.047 0.502 0.106
A 2230 ILE 0.482 0.268 0.399 0.566
A 2231 VAL 0.582 0.409 0.598 0.562
A 2232 ASP 0.438 -0.144 0.504 0.372
A 2233 THR 0.451 -0.256 0.562 0.302
A 2234 GLN 0.396 -0.054 0.466 0.340
A 2235 PHE 0.525 -0.207 0.328 0.637
A 2236 VAL 0.489 0.112 0.426 0.573
A 2237 ALA 0.643 0.388 0.707 0.388
A 2238 ALA 0.548 0.345 0.599 0.345
A 2239 MET 0.576 0.287 0.684 0.469
A 2240 GLY 0.577 0.236 0.577 N/A
A 2241 PRO 0.550 0.433 0.597 0.487
A 2242 PRO 0.670 0.478 0.695 0.636
A 2243 GLY 0.617 0.325 0.617 N/A
A 2244 GLY 0.662 0.576 0.662 N/A
A 2245 GLY 0.635 0.522 0.635 N/A
A 2246 ARG 0.592 0.400 0.599 0.589
A 2247 ASN 0.401 -0.447 0.144 0.657
A 2248 PRO 0.569 0.391 0.550 0.594
A 2249 VAL 0.442 0.106 0.430 0.458
A 2250 THR 0.500 -0.007 0.455 0.560
A 2251 ASN 0.511 0.126 0.510 0.511
A 2252 ARG 0.640 0.224 0.523 0.707
A 2253 LEU 0.594 0.316 0.628 0.560
A 2254 LEU 0.680 0.229 0.605 0.755
A 2255 ARG 0.268 -0.444 0.504 0.132
A 2256 HIS 0.652 0.402 0.562 0.712
A 2257 PHE 0.669 0.221 0.612 0.701
A 2258 ASN 0.565 0.284 0.683 0.446
A 2259 PHE 0.577 0.285 0.611 0.558
A 2260 ILE 0.684 0.577 0.711 0.658
A 2261 SER 0.475 0.078 0.477 0.473
A 2262 PHE 0.515 0.283 0.573 0.482
A 2263 THR 0.513 0.173 0.564 0.445
A 2264 GLU 0.188 -0.494 0.587 -0.131
A 2265 MET 0.379 -0.379 0.744 0.014
A 2266 SER 0.449 -0.218 0.596 0.153
A 2267 ASP 0.537 0.216 0.637 0.438
A 2268 SER 0.562 0.196 0.611 0.464
A 2269 SER 0.339 -0.183 0.463 0.091
A 2270 VAL 0.433 0.166 0.506 0.336
A 2271 SER 0.688 0.479 0.659 0.746
A 2272 ARG 0.390 -0.071 0.512 0.321
A 2273 ILE 0.492 0.175 0.485 0.499
A 2274 PHE 0.303 -0.283 0.373 0.263
A 2275 THR 0.412 -0.103 0.596 0.166
A 2276 THR 0.451 0.136 0.339 0.601
A 2277 ILE 0.563 0.317 0.652 0.475
A 2278 LEU 0.106 -0.265 0.092 0.120
A 2279 GLY 0.491 0.128 0.491 N/A
A 2280 ALA 0.583 0.417 0.624 0.417
A 2281 PHE 0.185 -0.479 0.535 -0.014
A 2282 PHE 0.198 -0.531 -0.042 0.335
A 2283 ARG -0.096 -0.501 0.097 -0.207
A 2284 LYS 0.270 -0.234 0.549 0.047
A 2285 TYR 0.253 -0.538 0.199 0.280
A 2286 PHE -0.036 -0.349 -0.105 0.003
A 2287 GLY 0.392 0.036 0.392 N/A
A 2288 ASP 0.281 -0.092 0.371 0.191
A 2289 ALA 0.357 0.241 0.378 0.274
A 2290 ILE 0.377 -0.225 0.308 0.446
A 2291 GLN 0.261 -0.100 0.160 0.342
A 2292 ALA 0.550 0.463 0.535 0.612
A 2293 LEU 0.419 0.072 0.407 0.432
A 2294 THR -0.084 -0.437 -0.185 0.051
A 2295 ASP 0.011 -0.490 0.129 -0.108
A 2296 PRO 0.422 0.096 0.360 0.506
A 2297 VAL 0.327 -0.433 0.498 0.100
A 2298 VAL 0.400 0.049 0.413 0.383
A 2299 THR 0.467 0.067 0.403 0.551
A 2300 ALA 0.449 0.068 0.544 0.068
A 2301 THR 0.568 0.093 0.660 0.446
A 2302 VAL 0.409 0.054 0.421 0.394
A 2303 ARG 0.383 -0.481 0.599 0.259
A 2304 LEU 0.458 0.217 0.391 0.525
A 2305 TYR 0.599 0.192 0.502 0.647
A 2306 ASN 0.638 0.478 0.605 0.671
A 2307 SER 0.522 0.102 0.695 0.178
A 2308 ILE 0.478 -0.208 0.601 0.355
A 2309 ARG 0.094 -0.570 0.083 0.101
A 2310 ALA 0.599 0.135 0.598 0.602
A 2311 GLU 0.478 0.204 0.615 0.369
A 2312 LEU 0.358 0.049 0.376 0.339
A 2313 LEU 0.393 -0.168 0.683 0.104
A 2314 PRO 0.596 0.387 0.692 0.467
A 2315 THR 0.402 -0.165 0.453 0.333
A 2316 PRO 0.388 -0.188 0.201 0.638
A 2317 THR 0.150 -0.515 0.257 0.007
A 2318 ARG 0.363 0.041 0.586 0.236
A 2319 SER 0.555 0.230 0.631 0.405
A 2320 HIS 0.524 0.039 0.678 0.421
A 2321 TYR 0.585 -0.180 0.750 0.503
A 2322 THR 0.704 0.550 0.749 0.645
A 2323 PHE 0.595 0.371 0.641 0.569
A 2324 ASN 0.569 0.362 0.542 0.596
A 2325 LEU 0.630 0.458 0.628 0.632
A 2326 ARG 0.537 -0.173 0.568 0.520
A 2327 ASP 0.239 -0.767 0.444 0.035
A 2328 LEU 0.493 0.047 0.755 0.231
A 2329 SER 0.306 -0.132 0.475 -0.033
A 2330 LYS 0.585 0.160 0.602 0.571
A 2331 VAL 0.588 0.328 0.604 0.567
A 2332 VAL 0.446 0.215 0.434 0.462
A 2333 GLN 0.698 0.562 0.673 0.718
A 2334 GLY 0.504 0.461 0.504 N/A
A 2335 VAL 0.412 0.042 0.589 0.177
A 2336 MET -0.069 -0.535 0.202 -0.340
A 2337 ARG 0.473 -0.005 0.509 0.452
A 2338 ALA 0.603 0.405 0.652 0.405
A 2339 ASP 0.200 -0.211 0.200 0.201
A 2340 PRO 0.099 -0.146 0.234 -0.081
A 2341 ARG 0.067 -0.332 -0.180 0.207
A 2342 SER 0.103 -0.207 0.018 0.274
A 2343 THR 0.143 -0.109 0.225 0.033
A 2344 GLY 0.341 0.104 0.341 N/A
A 2345 ASP 0.114 -0.174 0.147 0.080
A 2346 SER 0.211 -0.023 0.144 0.344
A 2347 LYS 0.095 -0.533 0.327 -0.091
A 2348 GLN 0.170 -0.540 0.385 -0.001
A 2349 VAL 0.054 -0.403 0.030 0.087
A 2350 LEU 0.435 -0.105 0.514 0.356
A 2351 SER 0.450 -0.065 0.367 0.617
A 2352 LEU 0.341 -0.051 0.464 0.218
A 2353 TRP 0.496 -0.131 0.222 0.606
A 2354 LEU 0.469 0.068 0.293 0.645
A 2355 HIS 0.590 0.107 0.399 0.718
A 2356 GLU 0.447 0.250 0.488 0.414
A 2357 CYS 0.392 0.075 0.474 0.226
A 2358 SER 0.519 0.165 0.458 0.643
A 2359 ARG 0.466 -0.108 0.629 0.373
A 2360 VAL 0.471 0.124 0.614 0.280
A 2361 PHE 0.576 -0.035 0.468 0.637
A 2362 GLU 0.508 0.089 0.645 0.398
A 2363 ASP 0.201 -0.789 0.673 -0.272
A 2364 ARG 0.583 0.281 0.603 0.572
A 2365 LEU 0.471 0.229 0.401 0.541
A 2366 ILE 0.423 0.258 0.467 0.379
A 2367 ASN 0.476 0.067 0.605 0.347
A 2368 ASP 0.348 0.075 0.381 0.315
A 2369 GLU 0.453 0.185 0.332 0.549
A 2370 ASP 0.304 -0.254 0.385 0.222
A 2371 HIS 0.461 0.264 0.579 0.382
A 2372 GLY 0.535 0.251 0.535 N/A
A 2373 TRP 0.487 -0.006 0.321 0.554
A 2374 PHE 0.281 -0.081 0.372 0.230
A 2375 ARG 0.422 -0.214 0.545 0.352
A 2376 ALA 0.506 0.373 0.513 0.479
A 2377 ARG 0.400 -0.177 0.539 0.321
A 2378 GLN 0.465 0.322 0.471 0.461
A 2379 GLU 0.245 -0.442 0.610 -0.047
A 2380 ALA 0.330 0.047 0.400 0.047
A 2381 LEU 0.249 -0.479 0.479 0.019
A 2382 LEU 0.326 -0.041 0.495 0.158
A 2383 THR 0.380 0.115 0.451 0.285
A 2384 GLU 0.135 -0.418 0.396 -0.074
A 2385 ASN 0.363 0.158 0.392 0.334
A 2386 PHE 0.418 0.128 0.471 0.388
A 2387 GLY 0.500 0.306 0.500 N/A
A 2388 LEU 0.159 -0.095 0.187 0.131
A 2389 GLY 0.306 0.194 0.306 N/A
A 2390 TYR 0.419 0.092 0.509 0.374
A 2391 GLY 0.536 0.476 0.536 N/A
A 2392 ASP 0.320 -0.491 0.577 0.063
A 2393 VAL 0.445 0.109 0.504 0.366
A 2394 VAL 0.376 -0.061 0.421 0.315
A 2395 THR 0.590 0.474 0.609 0.564
A 2396 SER 0.136 -0.252 0.246 -0.083
A 2397 GLU 0.060 -0.450 0.389 -0.203
A 2398 ARG 0.510 0.287 0.543 0.491
A 2399 LEU 0.237 -0.437 0.457 0.016
A 2400 ILE 0.357 0.052 0.412 0.302
A 2401 PHE 0.359 -0.182 0.328 0.377
A 2402 GLY 0.694 0.646 0.694 N/A
A 2403 ASP 0.422 0.114 0.489 0.355
A 2404 PHE 0.121 -0.355 -0.133 0.267
A 2405 MET 0.265 -0.257 0.323 0.206
A 2406 VAL -0.099 -0.454 -0.246 0.097
A 2407 PRO -0.294 -0.551 -0.391 -0.164
A 2408 GLY 0.321 0.100 0.321 N/A
A 2409 ALA 0.061 -0.477 -0.027 0.414
A 2410 ASP 0.550 0.214 0.531 0.570
A 2411 PRO 0.333 -0.031 0.468 0.153
[deleted to fit within ticket limits]
A 3088 VAL 0.230 -0.447 0.185 0.291
A 3089 LYS -0.176 -0.684 0.023 -0.336
A 3090 VAL -0.007 -0.229 0.029 -0.056
A 3091 ARG 0.252 -0.038 0.131 0.321
A 3092 ALA 0.240 -0.056 0.257 0.171
A 3093 TRP 0.295 -0.262 0.121 0.365
A 3094 THR 0.045 -0.203 0.048 0.043
A 3095 ILE 0.500 0.133 0.341 0.660
A 3096 ALA 0.166 -0.311 0.258 -0.198
A 3097 GLY 0.287 0.069 0.287 N/A
A 3098 LEU 0.397 -0.071 0.534 0.260
A 3099 PRO 0.393 -0.022 0.482 0.275
A 3100 THR 0.597 0.423 0.602 0.590
A 3101 ASP 0.061 -0.414 0.308 -0.187
A 3102 THR 0.553 0.167 0.508 0.614
A 3103 LEU 0.285 -0.601 0.235 0.335
A 3104 SER 0.342 0.026 0.328 0.368
A 3105 VAL 0.530 0.145 0.473 0.606
A 3106 GLU 0.556 -0.003 0.522 0.583
A 3107 ASN 0.435 -0.369 0.197 0.672
A 3108 GLY 0.301 -0.184 0.301 N/A
A 3109 ILE 0.553 0.212 0.613 0.493
A 3110 ILE 0.526 0.102 0.614 0.437
A 3111 VAL 0.514 0.319 0.613 0.382
A 3112 SER 0.632 0.291 0.689 0.517
A 3113 LYS 0.419 -0.209 0.552 0.313
A 3114 ALA 0.276 -0.309 0.422 -0.309
A 3115 ARG 0.629 0.480 0.611 0.639
A 3116 ARG 0.589 0.327 0.731 0.509
A 3117 TRP 0.423 0.018 0.444 0.415
A 3118 PRO 0.659 0.165 0.603 0.733
A 3119 LEU 0.592 0.370 0.625 0.558
A 3120 MET 0.453 -0.179 0.312 0.594
A 3121 ILE 0.643 0.267 0.691 0.594
A 3122 ASP 0.500 0.109 0.427 0.573
A 3123 PRO 0.511 0.332 0.490 0.540
A 3124 GLN 0.370 -0.187 0.544 0.231
A 3125 GLY 0.248 0.063 0.248 N/A
A 3126 GLN 0.468 0.099 0.686 0.294
A 3127 ALA 0.532 0.224 0.609 0.224
A 3128 ASN 0.526 0.236 0.508 0.544
A 3129 LYS 0.061 -0.399 0.245 -0.086
A 3130 TRP 0.671 0.406 0.586 0.705
A 3131 ILE 0.426 0.177 0.422 0.430
A 3132 LYS 0.413 0.146 0.500 0.344
A 3133 ASN 0.467 0.201 0.607 0.327
A 3134 MET 0.398 0.244 0.460 0.336
A 3135 GLU 0.129 -0.221 0.109 0.145
A 3136 ARG 0.246 -0.423 0.389 0.165
A 3137 GLU 0.366 -0.538 0.685 0.111
A 3138 SER 0.316 -0.250 0.233 0.483
A 3139 GLY 0.381 0.100 0.381 N/A
A 3140 LEU 0.320 -0.140 0.498 0.141
A 3141 ASP 0.590 0.280 0.601 0.579
A 3142 VAL 0.293 -0.185 0.613 -0.132
A 3143 ILE 0.486 0.244 0.572 0.400
A 3144 LYS 0.588 0.156 0.730 0.475
A 3145 LEU 0.618 0.366 0.599 0.637
A 3146 SER 0.560 0.253 0.474 0.732
A 3147 ASP 0.663 0.518 0.646 0.679
A 3148 LYS 0.437 -0.117 0.711 0.218
A 3149 ASP 0.491 0.184 0.626 0.356
A 3150 PHE 0.062 -0.742 0.391 -0.127
A 3151 LEU 0.392 0.183 0.479 0.305
A 3152 ARG 0.513 0.254 0.686 0.414
A 3153 THR 0.424 0.157 0.503 0.319
A 3154 LEU 0.408 -0.072 0.602 0.213
A 3155 GLU 0.328 -0.126 0.580 0.127
A 3156 ASN 0.476 0.035 0.297 0.655
A 3157 GLY 0.195 -0.278 0.195 N/A
A 3158 VAL 0.238 -0.462 0.463 -0.062
A 3159 ARG 0.406 0.092 0.336 0.446
A 3160 PHE 0.204 -0.235 0.059 0.287
A 3161 GLY 0.045 -0.382 0.045 N/A
A 3162 ARG 0.247 -0.280 0.204 0.271
A 3163 ALA 0.454 0.257 0.503 0.257
A 3164 VAL 0.497 0.099 0.598 0.361
A 3165 LEU 0.543 0.252 0.449 0.637
A 3166 LEU 0.307 -0.327 0.490 0.125
A 3167 GLU 0.549 0.096 0.695 0.433
A 3168 ASN 0.557 0.181 0.566 0.548
A 3169 ILE 0.597 0.201 0.593 0.600
A 3170 GLY 0.494 0.301 0.494 N/A
A 3171 GLU 0.410 -0.139 0.638 0.227
A 3172 THR 0.547 0.062 0.705 0.336
A 3173 LEU 0.579 0.439 0.579 0.578
A 3174 ASP 0.325 -0.228 0.588 0.062
A 3175 ALA 0.315 -0.544 0.529 -0.544
A 3176 ALA 0.554 0.372 0.599 0.372
A 3177 LEU 0.449 0.206 0.464 0.435
A 3178 GLU 0.368 -0.312 0.627 0.160
A 3179 PRO 0.386 -0.099 0.538 0.183
A 3180 LEU 0.571 0.235 0.499 0.644
A 3181 LEU 0.457 0.244 0.523 0.390
A 3182 LEU 0.663 0.333 0.747 0.580
A 3183 LYS 0.348 0.157 0.254 0.423
A 3184 GLN 0.373 0.082 0.429 0.328
A 3185 THR 0.471 0.144 0.515 0.413
A 3186 PHE 0.254 -0.193 0.271 0.244
A 3187 LYS 0.331 0.029 0.307 0.350
A 3188 GLN 0.086 -0.763 0.525 -0.264
A 3189 GLY 0.594 0.489 0.594 N/A
A 3190 GLY 0.586 0.544 0.586 N/A
A 3191 SER 0.012 -0.258 -0.056 0.147
A 3192 GLU 0.270 -0.242 0.610 -0.002
A 3193 VAL 0.410 0.292 0.483 0.313
A 3194 ILE 0.391 -0.281 0.632 0.151
A 3195 LYS 0.235 -0.231 0.432 0.078
A 3196 ILE 0.255 -0.177 0.412 0.097
A 3197 GLY 0.283 -0.024 0.283 N/A
A 3198 ASP 0.418 0.144 0.383 0.453
A 3199 ASN 0.293 -0.349 0.215 0.371
A 3200 ILE 0.606 0.322 0.560 0.651
A 3201 ILE 0.427 -0.167 0.644 0.210
A 3202 PRO 0.189 -0.350 0.031 0.401
A 3203 TYR 0.369 -0.199 0.161 0.473
A 3204 HIS 0.122 -0.518 -0.335 0.427
A 3205 PRO 0.439 -0.145 0.236 0.709
A 3206 ASP 0.381 -0.276 0.210 0.551
A 3207 PHE 0.446 0.122 0.357 0.497
A 3208 ARG 0.363 -0.070 0.209 0.452
A 3209 PHE 0.540 0.068 0.440 0.597
A 3210 TYR 0.572 0.323 0.572 0.572
A 3211 MET 0.457 0.141 0.619 0.294
A 3212 THR 0.574 0.206 0.598 0.540
A 3213 THR 0.449 -0.271 0.525 0.347
A 3214 LYS 0.612 0.287 0.661 0.573
A 3215 LEU 0.272 -0.481 0.676 -0.132
A 3216 ARG 0.490 0.091 0.712 0.363
A 3217 ASN 0.594 0.244 0.637 0.550
A 3218 PRO 0.554 0.255 0.672 0.396
A 3219 HIS 0.684 0.444 0.656 0.703
A 3220 TYR 0.680 0.508 0.720 0.661
A 3221 ALA 0.439 0.172 0.505 0.172
A 3222 PRO 0.635 0.443 0.686 0.567
A 3223 GLU 0.356 0.105 0.508 0.235
A 3224 VAL 0.592 0.294 0.604 0.576
A 3225 SER 0.348 -0.217 0.572 -0.101
A 3226 VAL 0.583 0.266 0.693 0.436
A 3227 LYS 0.605 0.328 0.693 0.535
A 3228 VAL 0.624 0.345 0.712 0.506
A 3229 SER 0.423 0.127 0.461 0.347
A 3230 LEU 0.500 0.252 0.437 0.564
A 3231 LEU 0.516 -0.001 0.414 0.618
A 3232 ASN 0.439 0.218 0.576 0.302
A 3233 PHE 0.095 -0.089 0.103 0.090
A 3234 PHE 0.463 0.194 0.368 0.517
A 3235 VAL 0.429 0.215 0.443 0.409
A 3236 THR 0.317 -0.150 0.535 0.026
A 3237 PRO 0.604 0.408 0.610 0.598
A 3238 GLU 0.489 -0.014 0.553 0.437
A 3239 GLY 0.537 0.421 0.537 N/A
A 3240 LEU 0.495 0.185 0.494 0.496
A 3241 GLU 0.214 -0.367 0.553 -0.057
A 3242 ASP 0.480 0.200 0.623 0.338
A 3243 GLN 0.450 0.265 0.358 0.523
A 3244 LEU 0.423 0.153 0.328 0.517
A 3245 LEU 0.084 -0.597 0.448 -0.280
A 3246 GLY 0.499 0.418 0.499 N/A
A 3247 THR 0.506 0.274 0.532 0.471
A 3248 VAL 0.331 -0.142 0.229 0.467
A 3249 VAL 0.053 -0.366 0.001 0.122
A 3250 THR 0.069 -0.225 0.194 -0.099
A 3251 GLN 0.171 -0.486 0.328 0.045
A 3252 GLU -0.021 -0.558 0.357 -0.323
A 3253 ARG -0.003 -0.578 -0.490 0.276
A 3254 PRO 0.124 -0.193 0.071 0.195
A 3255 ASP 0.441 0.178 0.549 0.333
A 3256 LEU 0.336 -0.492 0.627 0.045
A 3257 ALA 0.207 -0.083 0.279 -0.083
A 3258 ASN 0.064 -0.316 0.187 -0.059
A 3259 LEU 0.524 -0.020 0.459 0.589
A 3260 LYS 0.273 -0.127 0.412 0.161
A 3261 SER 0.276 0.020 0.323 0.182
A 3262 GLN 0.448 0.206 0.454 0.444
A 3263 LEU 0.434 0.074 0.456 0.411
A 3264 VAL 0.337 0.076 0.360 0.307
A 3265 VAL 0.393 -0.097 0.592 0.128
A 3266 SER 0.495 0.330 0.572 0.340
A 3267 ASN -0.068 -0.310 -0.145 0.009
A 3268 ALA -0.083 -0.327 -0.154 0.203
A 3269 LYS 0.205 -0.120 0.187 0.219
A 3270 MET 0.326 -0.060 0.280 0.372
A 3271 LYS 0.270 -0.150 0.333 0.219
A 3272 LYS 0.005 -0.604 0.189 -0.142
A 3273 GLU 0.012 -0.632 0.436 -0.328
A 3274 LEU 0.104 -0.458 -0.118 0.327
A 3275 SER 0.370 0.066 0.472 0.166
A 3276 ASP -0.032 -0.432 0.201 -0.264
A 3277 ILE 0.120 -0.175 0.207 0.032
A 3278 GLU 0.157 -0.456 0.462 -0.088
A 3279 ASP 0.012 -0.327 0.022 0.001
A 3280 ARG -0.130 -0.641 0.209 -0.324
A 3281 ILE -0.034 -0.705 0.005 -0.073
A 3282 LEU -0.018 -0.627 0.214 -0.249
A 3283 GLN 0.103 -0.222 -0.003 0.187
A 3284 LEU 0.267 -0.346 0.372 0.162
A 3285 LEU 0.059 -0.551 0.343 -0.225
A 3286 SER 0.075 -0.345 0.107 0.011
A 3287 ALA -0.048 -0.257 -0.008 -0.207
A 3288 SER 0.131 -0.293 0.281 -0.171
A 3289 SER 0.337 -0.067 0.516 -0.019
A 3290 GLY 0.370 0.097 0.370 N/A
A 3291 GLU -0.153 -0.625 -0.408 0.052
A 3292 ILE -0.200 -0.540 -0.360 -0.041
A 3293 LEU -0.184 -0.618 -0.358 -0.010
A 3294 ASP -0.110 -0.554 0.179 -0.399
A 3295 ASP -0.217 -0.640 -0.012 -0.422
A 3296 GLU 0.368 -0.249 0.600 0.183
A 3297 GLU 0.209 -0.619 -0.018 0.389
A 3298 LEU 0.078 -0.406 0.181 -0.025
A 3299 ILE 0.063 -0.371 -0.061 0.186
A 3300 ASN 0.097 -0.562 0.003 0.190
A 3301 THR 0.064 -0.291 0.273 -0.214
A 3302 LEU -0.109 -0.565 0.260 -0.478
A 3303 ALA 0.314 -0.128 0.344 0.198
A 3304 GLN 0.449 -0.255 0.254 0.605
A 3305 SER 0.295 -0.080 0.274 0.337
A 3306 LYS 0.177 -0.697 -0.159 0.446
A 3307 VAL 0.187 -0.485 0.207 0.160
A 3308 THR 0.507 0.373 0.573 0.418
A 3309 SER 0.235 -0.130 0.133 0.439
A 3310 ASN 0.326 -0.267 0.264 0.387
A 3311 GLU 0.056 -0.530 -0.027 0.123
A 3312 ILE 0.274 -0.200 0.488 0.060
A 3313 SER 0.253 -0.107 0.361 0.036
A 3314 ALA 0.474 0.376 0.498 0.376
A 3315 LYS 0.255 -0.381 -0.031 0.484
A 3316 VAL 0.167 -0.259 0.268 0.033
A 3317 ALA 0.377 -0.007 0.338 0.532
A 3318 GLU 0.173 -0.255 0.186 0.163
A 3319 ALA 0.065 -0.057 0.067 0.053
A 3320 GLU 0.190 -0.241 0.198 0.184
A 3321 ALA 0.556 0.367 0.528 0.667
A 3322 THR 0.436 0.094 0.375 0.517
A 3323 GLU 0.214 -0.465 0.045 0.349
A 3324 ARG 0.159 -0.188 0.236 0.115
A 3325 GLU 0.287 -0.117 0.390 0.204
A 3326 ILE 0.345 -0.220 0.597 0.093
A 3327 ASP -0.090 -0.451 0.025 -0.205
A 3328 GLU 0.361 -0.454 0.463 0.280
A 3329 THR 0.514 0.216 0.553 0.462
A 3330 ARG 0.162 -0.299 0.289 0.090
A 3331 GLU 0.230 -0.303 0.119 0.319
A 3332 LEU 0.292 -0.120 0.004 0.581
A 3333 TYR 0.346 -0.121 0.463 0.287
A 3334 ARG 0.333 -0.317 0.183 0.420
A 3335 PRO 0.434 0.070 0.356 0.537
A 3336 VAL 0.258 -0.201 0.107 0.459
A 3337 ALA 0.293 0.041 0.270 0.384
A 3338 LEU 0.484 0.025 0.371 0.597
A 3339 ARG 0.383 0.050 0.424 0.360
A 3340 ALA 0.215 -0.268 0.158 0.443
A 3341 SER 0.317 -0.114 0.212 0.529
A 3342 LEU 0.468 0.337 0.486 0.449
A 3343 LEU 0.242 -0.279 0.277 0.206
A 3344 PHE 0.396 -0.045 0.172 0.523
A 3345 PHE 0.460 -0.242 0.325 0.537
A 3346 ALA 0.526 0.257 0.535 0.489
A 3347 ILE 0.386 -0.397 0.226 0.546
A 3348 SER 0.491 0.273 0.439 0.596
A 3349 ASP 0.553 0.250 0.721 0.385
A 3350 LEU 0.615 0.298 0.563 0.668
A 3351 ALA 0.568 0.262 0.644 0.262
A 3352 LEU 0.535 0.295 0.609 0.461
A 3353 VAL 0.216 -0.034 0.307 0.096
A 3354 ASP 0.030 -0.417 0.198 -0.138
A 3355 PRO 0.614 0.356 0.609 0.620
A 3356 MET 0.295 -0.512 0.762 -0.172
A 3357 TYR 0.462 0.148 0.494 0.445
A 3358 GLN 0.465 0.155 0.500 0.436
A 3359 TYR 0.706 0.545 0.702 0.708
A 3360 SER 0.368 -0.021 0.450 0.203
A 3361 LEU 0.582 0.380 0.608 0.556
A 3362 ALA 0.213 -0.269 0.333 -0.269
A 3363 TRP 0.480 0.134 0.288 0.557
A 3364 PHE 0.477 0.328 0.440 0.498
A 3365 ILE 0.413 0.018 0.524 0.302
A 3366 SER 0.398 -0.068 0.557 0.079
A 3367 LEU 0.497 0.007 0.580 0.414
A 3368 PHE 0.539 0.285 0.549 0.533
A 3369 ILE 0.303 -0.611 0.509 0.097
A 3370 ARG 0.308 0.073 0.351 0.283
A 3371 GLY 0.465 0.304 0.465 N/A
A 3372 ILE 0.379 -0.081 0.646 0.112
A 3373 GLU 0.353 0.018 0.437 0.286
A 3374 GLU 0.182 -0.194 0.025 0.307
A 3375 ALA 0.242 0.017 0.298 0.017
A 3376 PRO 0.258 -0.639 0.075 0.502
A 3377 LYS -0.055 -0.404 -0.084 -0.032
A 3378 ALA 0.144 -0.092 0.095 0.342
A 3379 ALA 0.196 -0.341 0.151 0.378
A 3380 SER 0.312 -0.058 0.248 0.440
A 3381 VAL 0.177 -0.206 0.242 0.091
A 3382 GLU 0.289 -0.154 0.004 0.517
A 3383 GLU 0.390 -0.121 0.333 0.436
A 3384 ARG 0.028 -0.479 -0.031 0.062
A 3385 GLY 0.064 -0.282 0.064 N/A
A 3386 HIS -0.091 -0.472 0.129 -0.237
A 3387 ASN 0.210 -0.326 0.032 0.388
A 3388 LEU 0.226 -0.312 0.364 0.088
A 3389 ASN 0.313 -0.010 0.329 0.298
A 3390 GLU 0.428 0.239 0.416 0.438
A 3391 TYR 0.175 -0.559 0.264 0.131
A 3392 PHE 0.373 -0.049 0.218 0.462
A 3393 THR 0.540 0.252 0.492 0.605
A 3394 TYR 0.469 -0.658 0.103 0.652
A 3395 SER 0.539 0.313 0.513 0.591
A 3396 LEU 0.349 -0.203 0.205 0.494
A 3397 TYR 0.521 0.212 0.537 0.512
A 3398 VAL 0.481 -0.025 0.450 0.523
A 3399 ASN 0.460 -0.126 0.324 0.596
A 3400 ILE 0.419 -0.209 0.232 0.606
A 3401 CYS 0.499 0.113 0.566 0.367
A 3402 ARG 0.246 -0.371 0.391 0.164
A 3403 SER 0.597 0.339 0.676 0.440
A 3404 LEU 0.497 0.013 0.391 0.602
A 3405 PHE 0.538 0.176 0.519 0.549
A 3406 GLU 0.393 -0.041 0.357 0.421
A 3407 ALA 0.611 0.457 0.612 0.607
A 3408 HIS 0.487 0.099 0.316 0.601
A 3409 LYS 0.503 -0.219 0.260 0.698
A 3410 LEU 0.623 0.406 0.718 0.527
A 3411 MET 0.278 -0.197 0.404 0.152
A 3412 PHE 0.477 -0.008 0.332 0.559
A 3413 SER 0.586 0.158 0.698 0.362
A 3414 LEU 0.589 0.415 0.578 0.601
A 3415 LEU 0.508 0.305 0.571 0.445
A 3416 LEU 0.533 0.177 0.700 0.366
A 3417 THR 0.499 -0.012 0.600 0.365
A 3418 ILE 0.469 -0.103 0.684 0.254
A 3419 LYS 0.245 -0.667 0.574 -0.018
A 3420 ILE 0.557 0.096 0.691 0.423
A 3421 LEU 0.335 -0.293 0.495 0.176
A 3422 GLN 0.315 -0.092 0.420 0.232
A 3423 ASN 0.530 0.321 0.555 0.505
A 3424 ARG 0.139 -0.565 0.477 -0.054
A 3425 ASN 0.401 0.135 0.362 0.440
A 3426 MET 0.186 -0.273 0.374 -0.002
A 3427 ILE 0.471 -0.047 0.670 0.271
A 3428 ASP 0.351 -0.113 0.263 0.439
A 3429 GLY 0.518 0.166 0.518 N/A
A 3430 ARG 0.381 -0.726 0.144 0.517
A 3431 GLU 0.184 -0.463 0.480 -0.053
A 3432 TRP 0.479 -0.165 0.449 0.491
A 3433 ARG 0.349 -0.130 0.290 0.383
A 3434 PHE 0.417 0.148 0.518 0.359
A 3435 LEU 0.586 -0.160 0.491 0.682
A 3436 LEU 0.499 -0.059 0.612 0.386
A 3437 ALA 0.655 0.541 0.684 0.541
A 3438 GLY 0.340 -0.218 0.340 N/A
A 3439 PRO 0.566 0.213 0.520 0.627
A 3440 THR 0.561 0.256 0.577 0.539
A 3441 THR 0.457 0.268 0.568 0.308
A 3442 SER 0.374 0.157 0.335 0.453
A 3443 GLU 0.168 -0.262 0.465 -0.070
A 3444 LEU 0.050 -0.458 0.221 -0.122
A 3445 SER 0.349 -0.364 0.371 0.306
A 3446 GLN -0.049 -0.285 0.109 -0.176
A 3447 PRO 0.101 -0.345 -0.130 0.408
A 3448 ASN 0.501 -0.037 0.370 0.632
A 3449 PRO 0.020 -0.407 -0.014 0.064
A 3450 ALA -0.055 -0.464 -0.185 0.464
A 3451 PRO 0.069 -0.261 -0.019 0.186
A 3452 ASP -0.103 -0.711 0.176 -0.382
A 3453 TRP 0.215 -0.518 0.587 0.066
A 3454 LEU 0.280 -0.208 0.545 0.015
A 3455 THR 0.442 0.235 0.501 0.364
A 3456 ASP 0.380 -0.111 0.619 0.140
A 3457 LYS 0.398 0.166 0.413 0.387
A 3458 ALA 0.590 0.273 0.669 0.273
A 3459 TRP 0.266 -0.469 0.613 0.127
A 3460 ASN 0.453 0.212 0.564 0.342
A 3461 GLU 0.275 -0.254 0.462 0.126
A 3462 LEU 0.429 0.239 0.418 0.440
A 3463 LEU 0.287 -0.044 0.218 0.356
A 3464 ASN 0.155 -0.510 0.216 0.094
A 3465 LEU 0.178 -0.186 0.306 0.050
A 3466 SER 0.435 -0.001 0.595 0.115
A 3467 HIS 0.168 -0.400 0.407 0.008
A 3468 LEU 0.479 0.224 0.482 0.476
A 3469 PRO 0.361 -0.068 0.464 0.223
A 3470 THR 0.219 -0.349 -0.044 0.571
A 3471 PHE -0.030 -0.489 -0.289 0.118
A 3472 LYS -0.072 -0.417 -0.188 0.020
A 3473 GLY -0.385 -0.583 -0.385 N/A
A 3474 PHE 0.169 -0.341 0.028 0.250
A 3475 ALA 0.072 -0.317 0.170 -0.317
A 3476 ASP 0.010 -0.476 0.352 -0.332
A 3477 HIS -0.166 -0.620 -0.037 -0.252
A 3478 VAL -0.113 -0.589 0.136 -0.446
A 3479 ALA 0.212 -0.119 0.294 -0.119
A 3480 ALA 0.440 -0.106 0.577 -0.106
A 3481 ASN -0.142 -0.594 -0.363 0.080
A 3482 LEU -0.133 -0.504 -0.044 -0.221
A 3483 PRO 0.262 -0.398 -0.008 0.623
A 3484 HIS -0.106 -0.657 0.018 -0.189
A 3485 TYR -0.088 -0.784 0.018 -0.141
A 3486 ARG 0.071 -0.337 -0.053 0.142
A 3487 ALA 0.391 -0.143 0.365 0.493
A 3488 ILE 0.109 -0.308 0.015 0.202
A 3489 PHE 0.164 -0.257 0.092 0.204
A 3490 ASP 0.053 -0.307 -0.130 0.236
A 3491 SER 0.176 -0.309 0.301 -0.075
A 3492 ASN -0.222 -0.686 -0.106 -0.337
A 3493 ASP 0.230 -0.390 -0.032 0.493
A 3494 ALA -0.116 -0.504 -0.091 -0.219
A 3495 HIS -0.089 -0.373 0.014 -0.158
A 3496 GLU 0.149 -0.347 0.323 0.009
A 3497 LEU -0.339 -0.774 -0.063 -0.615
A 3498 PRO 0.228 -0.204 0.078 0.429
A 3499 LEU -0.137 -0.613 0.241 -0.514
A 3500 ALA 0.015 -0.457 -0.073 0.366
A 3501 PRO -0.121 -0.720 -0.384 0.230
A 3502 PRO -0.044 -0.647 0.010 -0.117
A 3503 TRP -0.322 -0.728 -0.307 -0.328
A 3504 GLU -0.282 -0.487 -0.242 -0.313
A 3505 ASP 0.191 -0.546 -0.159 0.542
A 3506 LYS 0.037 -0.303 0.114 -0.025
A 3507 LEU -0.180 -0.523 -0.053 -0.307
A 3508 ASP 0.023 -0.706 0.291 -0.245
A 3509 THR 0.238 -0.537 0.050 0.489
A 3510 PHE 0.345 -0.753 -0.126 0.614
A 3511 GLN 0.312 -0.029 0.287 0.331
A 3512 LYS 0.432 0.213 0.390 0.466
A 3513 LEU 0.540 0.299 0.509 0.571
A 3514 SER -0.074 -0.627 0.056 -0.335
A 3515 PHE 0.327 -0.013 0.328 0.327
A 3516 LEU 0.188 -0.617 0.296 0.080
A 3517 ARG 0.376 0.117 0.472 0.321
A 3518 CYS 0.319 -0.052 0.399 0.157
A 3519 LEU 0.434 0.034 0.300 0.567
A 3520 ARG 0.481 0.010 0.385 0.536
A 3521 PRO 0.558 0.235 0.447 0.706
A 3522 ASP 0.424 0.160 0.400 0.448
A 3523 LYS 0.419 -0.221 0.531 0.330
A 3524 VAL 0.608 0.409 0.547 0.690
A 3525 THR 0.490 0.245 0.458 0.533
A 3526 GLY 0.464 0.140 0.464 N/A
A 3527 ALA 0.552 0.388 0.575 0.462
A 3528 VAL 0.575 0.437 0.609 0.530
A 3529 GLN 0.613 0.266 0.583 0.637
A 3530 ALA 0.502 0.332 0.479 0.595
A 3531 PHE 0.493 0.256 0.578 0.445
A 3532 VAL 0.513 0.273 0.605 0.389
A 3533 SER 0.347 0.006 0.440 0.161
A 3534 GLN 0.398 0.069 0.495 0.321
A 3535 HIS 0.469 0.105 0.503 0.447
A 3536 LEU 0.071 -0.380 0.250 -0.108
A 3537 GLY 0.275 -0.047 0.275 N/A
A 3538 GLN 0.373 -0.192 0.295 0.436
A 3539 ARG 0.640 0.497 0.620 0.651
A 3540 PHE 0.470 0.004 0.354 0.536
A 3541 ILE 0.582 0.133 0.640 0.525
A 3542 GLU 0.695 0.589 0.732 0.666
A 3543 PRO 0.605 0.393 0.658 0.534
A 3544 PRO 0.670 0.407 0.760 0.550
A 3545 PRO 0.412 -0.058 0.241 0.639
A 3546 PHE 0.280 -0.062 0.418 0.202
A 3547 ASP 0.464 0.232 0.522 0.406
A 3548 LEU 0.499 0.157 0.395 0.602
A 3549 ALA 0.455 0.261 0.490 0.316
A 3550 THR 0.333 -0.121 0.323 0.345
A 3551 CYS 0.539 0.267 0.602 0.413
A 3552 TYR 0.566 0.367 0.511 0.593
A 3553 LYS 0.362 -0.312 0.477 0.270
A 3554 GLU 0.577 0.267 0.708 0.473
A 3555 SER 0.289 -0.217 0.535 -0.204
A 3556 SER 0.244 0.007 0.257 0.218
A 3557 PRO 0.717 0.593 0.714 0.720
A 3558 SER 0.562 0.010 0.686 0.315
A 3559 VAL 0.388 -0.025 0.481 0.264
A 3560 PRO 0.318 -0.369 0.190 0.488
A 3561 LEU 0.486 0.184 0.559 0.412
A 3562 ILE 0.418 -0.577 0.289 0.547
A 3563 PHE 0.679 0.511 0.679 0.678
A 3564 VAL 0.014 -0.368 0.057 -0.042
A 3565 LEU 0.562 0.086 0.422 0.703
A 3566 SER 0.332 0.083 0.347 0.301
A 3567 PRO 0.482 0.353 0.516 0.436
A 3568 GLY 0.240 0.157 0.240 N/A
A 3569 ALA 0.530 0.235 0.574 0.350
A 3570 ASP -0.081 -0.617 0.144 -0.306
A 3571 PRO 0.445 0.180 0.389 0.518
A 3572 MET 0.189 -0.016 0.318 0.061
A 3573 ALA 0.496 0.316 0.508 0.450
A 3574 ASP 0.368 0.106 0.462 0.274
A 3575 LEU 0.517 0.163 0.582 0.452
A 3576 LEU 0.597 0.451 0.634 0.559
A 3577 LYS 0.398 0.091 0.503 0.315
A 3578 LEU 0.372 -0.215 0.594 0.149
A 3579 ALA 0.567 0.359 0.619 0.359
A 3580 GLU 0.429 0.056 0.638 0.261
A 3581 ASP 0.235 -0.173 0.250 0.221
A 3582 MET 0.353 -0.427 0.339 0.367
A 3583 LYS 0.402 -0.005 0.453 0.362
A 3584 PHE 0.359 -0.295 0.527 0.262
A 3585 SER 0.439 0.357 0.437 0.443
A 3586 ARG 0.385 -0.135 0.561 0.285
A 3587 LYS 0.437 0.157 0.568 0.333
A 3588 PHE 0.487 0.197 0.614 0.414
A 3589 GLU 0.360 -0.139 0.617 0.155
A 3590 LYS 0.504 0.315 0.599 0.429
A 3591 VAL 0.612 0.442 0.615 0.608
A 3592 SER 0.379 -0.196 0.562 0.012
A 3593 LEU 0.502 0.351 0.515 0.489
A 3594 GLY 0.499 0.442 0.499 N/A
A 3595 GLN 0.369 -0.172 0.601 0.183
A 3596 GLY 0.392 0.190 0.392 N/A
A 3597 GLN 0.123 -0.166 0.171 0.085
A 3598 GLY 0.336 0.176 0.336 N/A
A 3599 PRO 0.500 0.184 0.614 0.347
A 3600 LYS 0.385 -0.052 0.529 0.270
A 3601 ALA 0.419 0.170 0.481 0.170
A 3602 GLU 0.513 0.205 0.528 0.501
A 3603 LYS 0.225 -0.373 0.449 0.046
A 3604 LEU 0.387 0.092 0.434 0.341
A 3605 LEU 0.424 0.035 0.477 0.372
A 3606 GLU 0.409 0.050 0.488 0.345
A 3607 ALA 0.477 0.145 0.560 0.145
A 3608 GLY 0.511 0.459 0.511 N/A
A 3609 MET 0.216 -0.442 0.409 0.022
A 3610 GLU 0.374 -0.356 0.541 0.240
A 3611 ARG 0.320 -0.054 0.293 0.336
A 3612 GLY 0.259 0.117 0.259 N/A
A 3613 ILE 0.488 0.157 0.463 0.513
A 3614 TRP 0.216 -0.313 0.467 0.116
A 3615 VAL 0.499 -0.052 0.412 0.614
A 3616 CYS 0.451 0.104 0.542 0.271
A 3617 LEU 0.624 0.083 0.531 0.717
A 3618 GLN 0.477 0.058 0.728 0.276
A 3619 ASN 0.346 -0.349 0.568 0.124
A 3620 CYS 0.634 0.392 0.672 0.559
A 3621 HIS 0.608 0.268 0.658 0.575
A 3622 LEU 0.523 0.246 0.434 0.612
A 3623 ALA 0.495 0.136 0.467 0.605
A 3624 VAL 0.380 0.023 0.377 0.386
A 3625 SER 0.503 -0.092 0.688 0.134
A 3626 TRP 0.599 0.078 0.536 0.624
A 3627 MET 0.379 0.001 0.352 0.406
A 3628 PRO 0.606 0.173 0.529 0.709
A 3629 THR 0.622 0.452 0.668 0.561
A 3630 LEU 0.405 0.068 0.347 0.463
A 3631 GLU 0.284 -0.301 0.432 0.165
A 3632 ARG 0.391 0.023 0.675 0.229
A 3633 ILE 0.476 0.309 0.542 0.409
A 3634 VAL 0.546 0.321 0.516 0.586
A 3635 GLU 0.438 -0.251 0.633 0.282
A 3636 GLY 0.697 0.600 0.697 N/A
A 3637 ILE 0.152 -0.330 0.408 -0.103
A 3638 GLN -0.086 -0.633 0.070 -0.211
A 3639 PRO 0.514 0.182 0.591 0.410
A 3640 ASP 0.395 0.039 0.526 0.265
A 3641 ARG 0.512 0.253 0.574 0.477
A 3642 VAL 0.263 -0.150 0.117 0.457
A 3643 HIS 0.545 -0.162 0.367 0.664
A 3644 LYS 0.382 0.213 0.372 0.389
A 3645 ASP 0.320 0.036 0.422 0.219
A 3646 PHE 0.473 -0.102 0.387 0.523
A 3647 ARG 0.419 0.020 0.564 0.337
A 3648 LEU 0.541 -0.075 0.455 0.627
A 3649 TRP 0.646 0.394 0.622 0.655
A 3650 LEU 0.240 -0.640 0.198 0.282
A 3651 THR 0.502 0.299 0.498 0.507
A 3652 SER 0.361 -0.523 0.278 0.527
A 3653 MET 0.498 -0.070 0.634 0.361
A 3654 PRO 0.638 0.471 0.671 0.594
A 3655 SER 0.608 0.244 0.711 0.402
A 3656 PRO 0.594 0.231 0.489 0.733
A 3657 ASP 0.443 -0.190 0.632 0.254
A 3658 PHE 0.642 0.341 0.537 0.701
A 3659 PRO 0.387 -0.034 0.283 0.525
A 3660 VAL 0.326 -0.251 0.174 0.529
A 3661 ALA 0.428 0.062 0.371 0.656
A 3662 ILE 0.559 0.290 0.592 0.525
A 3663 LEU 0.458 0.023 0.335 0.580
A 3664 GLN 0.451 0.194 0.426 0.471
A 3665 ASN 0.436 0.119 0.556 0.315
A 3666 GLY 0.574 0.460 0.574 N/A
A 3667 VAL 0.643 0.309 0.689 0.582
A 3668 LYS 0.651 0.139 0.559 0.724
A 3669 MET 0.602 0.464 0.651 0.553
A 3670 THR 0.463 0.158 0.581 0.305
A 3671 LEU 0.664 0.596 0.658 0.670
A 3672 GLU 0.385 -0.473 0.632 0.187
A 3673 PRO 0.393 0.172 0.467 0.295
A 3674 PRO 0.648 0.385 0.659 0.634
A 3675 LYS 0.585 0.299 0.612 0.564
A 3676 GLY 0.355 0.051 0.355 N/A
A 3677 LEU 0.452 -0.303 0.612 0.291
A 3678 LYS 0.425 0.222 0.517 0.352
A 3679 SER 0.545 0.285 0.497 0.640
A 3680 ASN 0.417 0.074 0.523 0.312
A 3681 LEU 0.456 0.147 0.489 0.424
A 3682 VAL 0.484 0.045 0.373 0.631
A 3683 ARG 0.520 0.365 0.550 0.502
A 3684 GLN 0.433 0.107 0.580 0.314
A 3685 TYR 0.539 0.119 0.525 0.545
A 3686 ASN 0.472 0.317 0.470 0.474
A 3687 ARG 0.695 0.488 0.604 0.748
A 3688 LEU 0.335 -0.089 0.622 0.047
A 3689 THR 0.198 -0.559 0.638 -0.387
A 3690 ASP 0.621 0.229 0.619 0.623
A 3691 ALA 0.546 0.445 0.546 0.550
A 3692 TYR 0.412 -0.165 0.517 0.359
A 3693 LEU 0.431 -0.064 0.421 0.442
A 3694 ALA 0.495 0.141 0.518 0.402
A 3695 ALA 0.167 -0.127 0.134 0.302
A 3696 SER 0.487 0.194 0.482 0.496
A 3697 SER 0.031 -0.589 0.230 -0.366
A 3698 LYS 0.415 0.232 0.456 0.382
A 3699 PRO 0.375 -0.093 0.216 0.587
A 3700 GLU 0.262 -0.038 0.278 0.249
A 3701 ASP 0.279 -0.117 0.344 0.213
A 3702 TRP 0.258 -0.091 0.277 0.251
A 3703 ARG 0.472 0.211 0.475 0.470
A 3704 ARG 0.461 0.030 0.366 0.515
A 3705 LEU 0.282 -0.068 0.390 0.173
A 3706 VAL 0.401 0.089 0.299 0.538
A 3707 PHE 0.554 0.334 0.507 0.580
A 3708 GLY 0.509 0.409 0.509 N/A
A 3709 LEU 0.402 -0.035 0.288 0.515
A 3710 CYS 0.503 0.188 0.424 0.663
A 3711 LEU 0.536 0.328 0.453 0.619
A 3712 PHE 0.491 0.183 0.417 0.532
A 3713 HIS 0.394 -0.009 0.375 0.406
A 3714 ALA 0.535 0.355 0.531 0.551
A 3715 VAL 0.518 0.330 0.478 0.571
A 3716 ILE 0.526 0.173 0.480 0.573
A 3717 GLN 0.561 0.068 0.420 0.674
A 3718 ASP 0.344 -0.178 0.560 0.128
A 3719 ARG 0.557 0.332 0.525 0.575
A 3720 ARG 0.531 0.256 0.462 0.571
A 3721 LYS 0.478 0.104 0.680 0.317
A 3722 PHE 0.530 -0.064 0.414 0.596
A 3723 GLY 0.402 0.258 0.402 N/A
A 3724 PRO 0.487 -0.135 0.369 0.644
A 3725 LEU 0.669 0.393 0.781 0.557
A 3726 GLY 0.454 -0.015 0.454 N/A
A 3727 TRP 0.573 0.385 0.637 0.548
A 3728 ASN 0.513 0.345 0.507 0.519
A 3729 ILE 0.334 -0.556 0.586 0.083
A 3730 ARG 0.547 -0.230 0.788 0.410
A 3731 TYR 0.383 -0.093 0.525 0.312
A 3732 ASP 0.513 0.120 0.716 0.310
A 3733 PHE 0.620 0.008 0.468 0.706
A 3734 THR 0.588 0.296 0.603 0.568
A 3735 ASP 0.528 0.181 0.678 0.378
A 3736 GLY 0.368 0.320 0.368 N/A
A 3737 ASP 0.631 0.373 0.575 0.688
A 3738 LEU 0.554 0.343 0.597 0.512
A 3739 ASN 0.507 0.142 0.674 0.339
A 3740 VAL 0.312 -0.214 0.422 0.165
A 3741 SER 0.593 0.411 0.574 0.631
A 3742 LEU 0.500 0.243 0.511 0.489
A 3743 ALA 0.491 0.189 0.524 0.361
A 3744 GLN 0.439 0.183 0.484 0.404
A 3745 LEU 0.356 -0.157 0.472 0.241
A 3746 GLN 0.560 0.385 0.612 0.518
A 3747 GLU -0.070 -0.574 0.357 -0.412
A 3748 TYR 0.294 -0.067 0.177 0.353
A 3749 LEU 0.558 0.351 0.557 0.559
A 3750 ASP 0.347 0.055 0.521 0.172
A 3751 LYS 0.357 -0.039 0.513 0.233
A 3752 TYR -0.056 -0.497 0.097 -0.132
A 3753 GLU 0.086 -0.457 0.148 0.036
A 3754 VAL 0.301 -0.032 0.211 0.422
A 3755 ILE 0.507 0.255 0.533 0.482
A 3756 PRO 0.395 0.195 0.436 0.339
A 3757 PHE 0.462 0.157 0.435 0.477
A 3758 LYS 0.428 -0.068 0.198 0.612
A 3759 VAL 0.261 -0.028 0.232 0.300
A 3760 LEU 0.484 0.021 0.481 0.487
A 3761 ARG 0.383 0.073 0.468 0.334
A 3762 PHE 0.501 -0.199 0.380 0.571
A 3763 LEU 0.649 0.290 0.622 0.675
A 3764 PHE 0.659 0.251 0.599 0.693
A 3765 THR 0.592 0.300 0.678 0.477
A 3766 GLU 0.305 -0.250 0.529 0.127
A 3767 ILE 0.417 0.216 0.361 0.474
A 3768 ASN 0.470 0.088 0.481 0.458
A 3769 TYR 0.540 -0.065 0.689 0.465
A 3770 GLY 0.317 0.244 0.317 N/A
A 3771 GLY 0.495 0.208 0.495 N/A
A 3772 ARG 0.654 0.505 0.641 0.661
A 3773 VAL 0.592 0.413 0.570 0.621
A 3774 THR 0.505 0.328 0.536 0.462
A 3775 ASP 0.438 -0.266 0.229 0.648
A 3776 ASP 0.448 0.171 0.481 0.414
A 3777 LYS 0.397 -0.378 0.679 0.172
A 3778 ASP 0.415 -0.035 0.525 0.305
A 3779 ARG 0.555 0.162 0.578 0.542
A 3780 ARG 0.492 -0.123 0.346 0.575
A 3781 LEU 0.359 -0.146 0.407 0.311
A 3782 ILE 0.482 -0.117 0.627 0.338
A 3783 ASN 0.552 0.257 0.667 0.436
A 3784 ASN 0.565 0.227 0.632 0.497
A 3785 LEU 0.388 0.249 0.430 0.345
A 3786 ILE 0.552 0.104 0.666 0.437
A 3787 TYR 0.478 0.090 0.553 0.440
A 3788 THR 0.576 0.347 0.638 0.494
A 3789 PHE 0.373 0.122 0.534 0.281
A 3790 CYS 0.306 -0.054 0.357 0.204
A 3791 GLY 0.492 0.408 0.492 N/A
A 3792 PRO 0.487 0.240 0.447 0.541
A 3793 SER 0.230 -0.035 0.189 0.312
A 3794 VAL -0.148 -0.619 0.171 -0.574
A 3795 LEU 0.384 0.155 0.375 0.393
A 3796 GLU -0.045 -0.495 0.196 -0.238
A 3797 PRO 0.352 0.058 0.301 0.420
A 3798 GLY 0.101 -0.057 0.101 N/A
A 3799 TYR 0.161 -0.484 -0.036 0.259
A 3800 ALA 0.367 -0.217 0.287 0.687
A 3801 PHE 0.354 0.023 0.314 0.376
A 3802 SER 0.255 -0.197 0.475 -0.185
A 3803 PRO 0.415 0.202 0.456 0.361
A 3804 SER 0.317 0.052 0.245 0.460
A 3805 GLY 0.092 -0.149 0.092 N/A
A 3806 THR 0.081 -0.239 -0.074 0.287
A 3807 TYR 0.422 0.130 0.321 0.473
A 3808 ALA 0.469 0.316 0.464 0.489
A 3809 THR 0.201 -0.388 0.456 -0.139
A 3810 PRO 0.539 0.326 0.614 0.439
A 3811 PRO 0.578 0.193 0.511 0.668
A 3812 GLU 0.086 -0.590 0.451 -0.206
A 3813 ALA 0.377 0.138 0.376 0.381
A 3814 VAL 0.195 -0.175 0.304 0.051
A 3815 VAL 0.150 -0.210 0.146 0.156
A 3816 SER 0.084 -0.355 0.208 -0.165
A 3817 VAL 0.087 -0.453 0.307 -0.207
A 3818 ARG 0.245 -0.430 0.563 0.064
A 3819 ASP 0.351 0.109 0.487 0.215
A 3820 HIS 0.328 0.081 0.380 0.293
A 3821 LEU 0.282 -0.328 0.363 0.200
A 3822 GLU 0.185 -0.396 0.426 -0.008
A 3823 LEU -0.044 -0.626 -0.149 0.061
A 3824 LEU 0.224 -0.330 0.301 0.148
A 3825 ARG 0.020 -0.589 0.260 -0.117
A 3826 ALA 0.369 0.082 0.383 0.317
A 3827 TYR 0.479 0.205 0.464 0.486
A 3828 PRO 0.496 0.071 0.465 0.538
A 3829 ILE 0.263 -0.329 0.479 0.048
A 3830 VAL 0.458 -0.145 0.363 0.586
A 3831 PRO 0.488 0.149 0.610 0.324
A 3832 LYS 0.616 0.369 0.654 0.585
A 3833 PRO 0.321 0.009 0.274 0.383
A 3834 GLU 0.085 -0.539 0.315 -0.100
A 3835 ILE 0.493 0.078 0.661 0.326
A 3836 PHE 0.285 -0.414 0.438 0.198
A 3837 GLY 0.536 0.443 0.536 N/A
A 3838 LEU 0.505 0.095 0.646 0.363
A 3839 HIS 0.506 0.030 0.494 0.514
A 3840 GLU 0.122 -0.568 0.133 0.114
A 3841 ASN 0.465 -0.042 0.344 0.585
A 3842 ALA 0.518 0.233 0.509 0.552
A 3843 ASP 0.428 -0.168 0.614 0.241
A 3844 ILE 0.208 -0.175 0.293 0.123
A 3845 THR 0.394 0.058 0.363 0.436
A 3846 CYS 0.513 0.054 0.437 0.666
A 3847 ASP 0.387 -0.202 0.318 0.457
A 3848 GLN 0.322 -0.357 0.261 0.370
A 3849 ASN 0.342 -0.295 0.495 0.189
A 3850 GLU 0.607 0.301 0.636 0.585
A 3851 THR 0.387 -0.406 0.241 0.581
A 3852 TYR 0.382 -0.443 0.602 0.272
A 3853 ASP 0.495 0.076 0.502 0.489
A 3854 MET 0.536 0.387 0.569 0.504
A 3855 PHE 0.616 0.257 0.587 0.632
A 3856 SER 0.672 0.566 0.710 0.595
A 3857 THR 0.518 0.181 0.534 0.497
A 3858 VAL 0.502 0.177 0.472 0.543
A 3859 LEU 0.668 0.414 0.743 0.593
A 3860 SER 0.476 -0.031 0.605 0.220
A 3861 LEU 0.550 0.075 0.708 0.391
A 3862 GLN 0.489 0.164 0.605 0.397
A 3863 PRO 0.556 0.406 0.558 0.553
A 3864 ARG 0.353 -0.140 0.689 0.161
A 3865 VAL 0.619 0.433 0.687 0.528
A 3872 SER 0.588 0.216 0.530 0.704
A 3873 GLN 0.563 0.070 0.650 0.493
A 3874 GLU 0.204 -0.608 0.511 -0.041
A 3875 ALA 0.380 -0.272 0.369 0.422
A 3876 VAL 0.567 0.170 0.576 0.554
A 3877 ILE 0.517 0.186 0.606 0.428
A 3878 GLY 0.477 0.369 0.477 N/A
A 3879 ALA 0.409 0.314 0.432 0.314
A 3880 LEU 0.577 0.309 0.615 0.538
A 3881 ALA 0.466 0.265 0.446 0.546
A 3882 ALA 0.477 0.228 0.539 0.228
A 3883 ASP 0.495 0.334 0.510 0.479
A 3884 ILE 0.593 0.468 0.611 0.575
A 3885 LEU 0.436 -0.090 0.668 0.205
A 3886 GLY 0.593 0.545 0.593 N/A
A 3887 ARG 0.660 0.468 0.685 0.646
A 3888 LEU 0.550 -0.006 0.680 0.419
A 3889 PRO 0.282 -0.603 0.133 0.479
A 3890 GLU 0.022 -0.667 0.223 -0.140
A 3891 LEU 0.441 0.023 0.458 0.425
A 3892 PHE 0.460 0.177 0.343 0.527
A 3893 ASP 0.190 -0.384 0.645 -0.265
A 3894 VAL 0.129 -0.312 0.419 -0.257
A 3895 ASP -0.222 -0.626 0.035 -0.479
A 3896 ALA 0.177 -0.148 0.162 0.237
A 3897 VAL -0.211 -0.726 0.098 -0.624
A 3898 ILE 0.582 0.368 0.654 0.510
A 3899 GLU 0.118 -0.297 0.521 -0.204
A 3900 ARG -0.114 -0.725 -0.007 -0.175
A 3901 TYR -0.393 -0.678 -0.442 -0.368
A 3902 PRO -0.080 -0.448 -0.161 0.028
A 3903 THR 0.048 -0.315 0.252 -0.223
A 3904 THR -0.230 -0.637 -0.046 -0.475
A 3905 TYR -0.012 -0.626 -0.053 0.009
A 3906 LYS -0.146 -0.556 -0.157 -0.136
A 3907 GLU 0.298 -0.117 0.360 0.247
A 3908 SER 0.098 -0.111 0.165 -0.036
A 3909 MET 0.139 -0.472 0.149 0.130
A 3910 ASN 0.263 -0.287 0.422 0.105
A 3911 THR 0.313 -0.109 0.167 0.507
A 3912 VAL 0.410 0.100 0.418 0.399
A 3913 LEU 0.234 -0.365 0.274 0.194
A 3914 THR 0.305 -0.536 0.216 0.424
A 3915 GLN 0.359 -0.327 0.560 0.197
A 3916 GLU 0.319 -0.008 0.190 0.422
A 3917 CYS 0.420 -0.177 0.355 0.551
A 3918 ILE 0.178 -0.070 0.170 0.187
A 3919 ARG 0.417 -0.143 0.243 0.517
A 3920 TYR 0.598 0.317 0.517 0.638
A 3921 ASN 0.542 0.129 0.442 0.641
A 3922 ALA 0.377 0.148 0.390 0.327
A 3923 LEU 0.535 0.251 0.501 0.568
A 3924 LEU 0.584 0.178 0.490 0.679
A 3925 ALA 0.421 0.207 0.450 0.307
A 3926 VAL 0.531 0.179 0.510 0.560
A 3927 MET 0.349 -0.257 0.631 0.067
A 3928 LYS 0.656 0.447 0.711 0.612
A 3929 ARG 0.311 -0.399 0.506 0.199
A 3930 SER 0.514 0.253 0.563 0.416
A 3931 LEU 0.318 -0.513 0.255 0.381
A 3932 GLY 0.605 0.427 0.605 N/A
A 3933 GLU 0.313 -0.011 0.475 0.184
A 3934 THR 0.639 0.458 0.649 0.625
A 3935 ILE 0.541 0.149 0.466 0.617
A 3936 LYS 0.532 -0.154 0.435 0.609
A 3937 ALA 0.664 0.538 0.696 0.538
A 3938 LEU 0.588 0.195 0.620 0.556
A 3939 LYS 0.594 0.219 0.610 0.581
A 3940 GLY 0.411 0.376 0.411 N/A
A 3941 LEU 0.417 -0.079 0.376 0.458
A 3942 VAL 0.515 0.327 0.580 0.427
A 3943 VAL 0.545 0.156 0.722 0.309
A 3944 MET 0.349 -0.227 0.339 0.359
A 3945 SER 0.601 0.330 0.667 0.467
A 3946 PRO 0.560 0.425 0.604 0.501
A 3947 GLU 0.164 -0.606 0.465 -0.077
A 3948 LEU 0.671 0.460 0.741 0.600
A 3949 GLU 0.346 -0.132 0.457 0.257
A 3950 GLY 0.568 0.483 0.568 N/A
A 3951 VAL 0.535 -0.006 0.657 0.371
A 3952 ALA 0.484 0.173 0.525 0.322
A 3953 TYR 0.360 -0.170 0.509 0.285
A 3954 SER 0.498 0.265 0.543 0.408
A 3955 MET 0.621 0.456 0.670 0.572
A 3956 TYR 0.496 0.047 0.468 0.510
A 3957 ASP 0.562 0.144 0.675 0.449
A 3958 ASN 0.481 0.135 0.244 0.717
A 3959 GLN 0.062 -0.411 -0.006 0.116
A 3960 VAL 0.255 -0.207 0.412 0.046
A 3961 PRO 0.467 0.206 0.596 0.294
A 3962 GLU 0.334 -0.546 0.615 0.109
A 3963 LEU 0.243 -0.065 0.354 0.133
A 3964 TRP 0.634 0.185 0.679 0.615
A 3965 ALA 0.489 0.210 0.487 0.496
A 3966 SER 0.269 -0.026 0.270 0.265
A 3967 ARG 0.449 -0.151 0.603 0.360
A 3968 ALA 0.419 0.170 0.482 0.170
A 3969 TYR 0.459 -0.016 0.565 0.407
A 3970 PRO 0.582 0.251 0.515 0.671
A 3971 SER 0.631 0.356 0.598 0.697
A 3972 LEU 0.626 0.256 0.763 0.489
A 3973 LYS 0.525 0.239 0.510 0.537
A 3974 PRO 0.498 0.295 0.553 0.424
A 3975 LEU 0.407 -0.216 0.626 0.187
A 3976 SER 0.410 -0.014 0.530 0.170
A 3977 ALA 0.695 0.563 0.718 0.603
A 3978 TRP 0.628 0.414 0.582 0.647
A 3979 VAL 0.599 0.420 0.649 0.532
A 3980 VAL 0.481 0.246 0.537 0.407
A 3981 ASP 0.510 0.253 0.639 0.382
A 3982 LEU 0.392 0.082 0.509 0.275
A 3983 LEU 0.536 0.032 0.636 0.436
A 3984 GLU 0.183 -0.071 0.375 0.029
A 3985 ARG 0.461 0.175 0.475 0.453
A 3986 CYS 0.318 -0.205 0.493 -0.033
A 3987 ALA 0.530 0.346 0.562 0.400
A 3988 PHE 0.415 0.073 0.454 0.393
A 3989 ILE 0.384 0.214 0.351 0.417
A 3990 SER 0.514 0.035 0.646 0.252
A 3991 GLY 0.432 0.259 0.432 N/A
A 3992 TRP 0.224 -0.114 0.327 0.183
A 3993 VAL 0.176 -0.606 0.452 -0.192
A 3994 ASP 0.026 -0.433 0.228 -0.177
A 3995 LYS 0.016 -0.443 -0.239 0.219
A 3996 GLY 0.209 -0.085 0.209 N/A
A 3997 THR 0.233 -0.389 0.367 0.054
A 3998 PRO 0.074 -0.171 0.140 -0.013
A 3999 PRO 0.153 -0.138 0.170 0.131
A 4000 VAL 0.128 -0.528 0.399 -0.234
A 4001 TYR 0.339 -0.158 0.531 0.242
A 4002 TRP 0.242 -0.479 0.212 0.255
A 4003 ILE 0.334 -0.158 0.242 0.426
A 4004 SER 0.320 -0.449 0.194 0.571
A 4005 GLY 0.409 0.282 0.409 N/A
A 4006 PHE 0.514 0.104 0.471 0.539
A 4007 PHE 0.620 0.368 0.621 0.619
A 4008 PHE 0.446 0.117 0.302 0.529
A 4009 PRO 0.583 0.252 0.723 0.396
A 4010 GLN 0.300 0.003 0.333 0.273
A 4011 ALA 0.407 0.185 0.432 0.309
A 4012 PHE 0.356 -0.283 0.524 0.259
A 4013 LEU 0.422 0.143 0.442 0.402
A 4014 THR 0.108 -0.344 0.018 0.228
A 4015 GLY 0.248 0.135 0.248 N/A
A 4016 THR 0.281 -0.412 0.445 0.063
A 4017 LEU 0.059 -0.269 0.171 -0.054
A 4018 GLN 0.219 -0.069 0.202 0.233
A 4019 ASN 0.073 -0.587 0.442 -0.296
A 4020 PHE -0.036 -0.466 0.158 -0.147
A 4021 ALA 0.086 -0.174 0.151 -0.174
A 4022 ARG 0.016 -0.369 0.171 -0.072
A 4023 LYS -0.054 -0.642 -0.008 -0.091
A 4024 TYR -0.285 -0.638 -0.253 -0.300
A 4025 THR 0.115 -0.392 0.141 0.082
A 4026 TYR 0.095 -0.453 0.190 0.047
A 4027 PRO 0.686 0.401 0.712 0.651
A 4028 ILE 0.422 0.010 0.373 0.471
A 4029 ASP 0.022 -0.390 0.174 -0.131
A 4030 THR 0.269 0.103 0.318 0.205
A 4031 VAL 0.188 -0.106 0.158 0.229
A 4032 SER 0.490 0.175 0.529 0.412
A 4033 PHE 0.525 0.187 0.369 0.614
A 4034 GLY 0.208 -0.029 0.208 N/A
A 4035 PHE 0.588 0.265 0.627 0.566
A 4036 LYS 0.353 -0.178 0.302 0.394
A 4037 VAL -0.159 -0.619 0.030 -0.412
A 4038 MET -0.271 -0.607 -0.223 -0.319
A 4039 ASP -0.160 -0.537 -0.011 -0.310
A 4040 ALA 0.525 0.250 0.594 0.250
A 4041 LEU -0.237 -0.725 0.022 -0.496
A 4042 ASP 0.299 -0.134 0.402 0.195
A 4043 GLU 0.277 -0.033 0.510 0.090
A 4044 GLY 0.483 0.366 0.483 N/A
A 4045 ALA 0.236 -0.092 0.238 0.227
A 4046 VAL -0.147 -0.571 -0.073 -0.245
A 4047 VAL 0.280 -0.322 0.090 0.533
A 4048 SER 0.024 -0.619 -0.299 0.670
A 4049 GLY -0.013 -0.237 -0.013 N/A
A 4050 PRO -0.352 -0.753 -0.140 -0.636
A 4051 GLU 0.118 -0.525 -0.224 0.392
A 4052 ASP 0.043 -0.646 0.489 -0.404
A 4053 GLY 0.032 -0.097 0.032 N/A
A 4054 CYS -0.183 -0.438 -0.091 -0.366
A 4055 PHE 0.383 0.187 0.343 0.407
A 4056 ILE 0.364 0.125 0.435 0.294
A 4057 ARG 0.324 -0.299 0.081 0.462
A 4058 GLY 0.523 0.277 0.523 N/A
A 4059 LEU 0.494 -0.021 0.477 0.511
A 4060 PHE 0.354 -0.291 0.057 0.524
A 4061 MET 0.245 -0.019 0.345 0.145
A 4062 GLU 0.263 -0.169 0.406 0.148
A 4063 GLY 0.339 0.186 0.339 N/A
A 4064 ALA 0.106 -0.422 0.041 0.365
A 4065 ARG 0.252 -0.360 -0.037 0.417
A 4066 TRP -0.036 -0.412 0.291 -0.167
A 4067 ASP 0.281 -0.592 0.047 0.515
A 4068 ASN -0.055 -0.498 0.189 -0.299
A 4069 GLN 0.285 0.045 0.452 0.151
A 4070 THR -0.056 -0.576 -0.145 0.062
A 4071 HIS 0.111 -0.479 -0.301 0.385
A 4072 VAL 0.373 0.208 0.373 0.374
A 4073 ILE 0.113 -0.416 0.387 -0.162
A 4074 ALA -0.002 -0.514 -0.181 0.715
A 4075 GLU 0.586 -0.053 0.403 0.732
A 4076 SER 0.103 -0.681 0.360 -0.412
A 4077 ARG 0.135 -0.435 -0.130 0.286
A 4078 PRO 0.626 0.500 0.663 0.577
A 4079 LYS 0.283 -0.108 0.446 0.154
A 4080 GLU 0.340 0.035 0.444 0.257
A 4081 LEU 0.336 0.128 0.333 0.339
A 4082 PHE 0.423 0.092 0.486 0.387
A 4083 THR 0.443 -0.291 0.227 0.731
A 4084 GLU 0.274 -0.567 0.551 0.053
A 4085 MET -0.058 -0.681 0.316 -0.432
A 4086 PRO 0.341 0.042 0.267 0.441
A 4087 ILE 0.270 -0.037 0.418 0.122
A 4088 VAL 0.168 -0.244 0.038 0.341
A 4089 TRP 0.169 -0.622 0.174 0.168
A 4090 LEU 0.210 -0.333 0.101 0.319
A 4091 LYS 0.307 -0.124 0.190 0.401
A 4092 PRO 0.046 -0.491 0.273 -0.257
A 4093 GLU -0.098 -0.677 0.119 -0.271
A 4094 GLN 0.121 -0.320 0.301 -0.023
A 4095 HIS 0.252 -0.043 0.377 0.169
A 4096 ARG 0.320 -0.229 0.057 0.470
A 4097 LYS 0.436 -0.203 0.400 0.465
A 4098 LYS 0.439 -0.595 0.682 0.244
A 4099 PRO 0.310 0.010 0.457 0.113
A 4100 GLU -0.232 -0.650 -0.277 -0.195
A 4101 GLN -0.124 -0.695 -0.586 0.245
A 4102 PRO -0.027 -0.536 -0.262 0.286
A 4103 ALA -0.124 -0.432 -0.047 -0.432
A 4104 GLU -0.220 -0.554 -0.279 -0.172
A 4105 GLY -0.276 -0.421 -0.276 N/A
A 4106 ASP 0.056 -0.384 0.269 -0.156
A 4107 ALA 0.553 0.042 0.491 0.801
A 4108 SER 0.194 -0.081 0.189 0.203
A 4109 GLY 0.362 0.049 0.362 N/A
A 4110 SER 0.302 -0.349 0.523 -0.140
A 4111 ILE 0.309 -0.244 0.616 0.002
A 4112 GLY 0.532 0.306 0.532 N/A
A 4113 VAL 0.089 -0.244 0.232 -0.102
A 4114 TYR 0.562 0.210 0.405 0.641
A 4115 ASP 0.317 -0.198 0.377 0.258
A 4116 CYS 0.455 -0.247 0.548 0.269
A 4117 PRO 0.553 0.286 0.600 0.491
A 4118 VAL 0.423 -0.374 0.288 0.602
A 4119 TYR 0.440 -0.281 0.542 0.388
A 4120 LYS 0.422 -0.143 0.491 0.367
A 4121 THR 0.449 0.104 0.541 0.325
A 4122 LEU 0.651 0.366 0.746 0.556
A 4123 THR 0.428 -0.030 0.550 0.266
A 4124 ARG 0.456 -0.139 0.381 0.499
A 4125 ALA 0.633 0.525 0.646 0.584
A 4126 GLY 0.173 -0.050 0.173 N/A
A 4127 THR 0.433 -0.141 0.698 0.080
A 4128 LEU 0.580 0.391 0.588 0.573
A 4129 SER 0.653 0.547 0.662 0.634
A 4130 THR 0.526 -0.047 0.616 0.406
A 4131 THR 0.553 0.185 0.579 0.519
A 4132 GLY 0.653 0.522 0.653 N/A
A 4133 HIS 0.519 0.076 0.484 0.542
A 4134 SER 0.588 0.111 0.688 0.389
A 4135 THR 0.508 -0.097 0.609 0.372
A 4136 ASN 0.464 0.244 0.600 0.328
A 4137 PHE 0.545 0.236 0.472 0.587
A 4138 VAL 0.588 0.068 0.691 0.450
A 4139 MET 0.617 0.285 0.739 0.495
A 4140 TYR 0.390 -0.228 0.457 0.356
A 4141 LEU 0.474 0.150 0.389 0.559
A 4142 GLU 0.229 -0.286 0.170 0.275
A 4143 LEU 0.352 -0.355 0.496 0.208
A 4144 PRO 0.518 0.023 0.441 0.621
A 4145 SER 0.082 -0.360 0.226 -0.206
A 4146 ASP 0.292 -0.602 0.604 -0.020
A 4147 LYS 0.163 -0.352 0.517 -0.121
A 4148 PRO 0.374 -0.063 0.207 0.596
A 4149 GLN 0.251 -0.146 0.199 0.293
A 4150 GLY 0.354 -0.123 0.354 N/A
A 4151 HIS 0.413 -0.295 0.221 0.541
A 4152 TRP 0.441 0.033 0.248 0.518
A 4153 ILE 0.326 -0.131 0.495 0.156
A 4154 ASN 0.518 0.028 0.640 0.397
A 4155 ARG 0.624 0.346 0.559 0.661
A 4156 GLY 0.599 0.480 0.599 N/A
A 4157 VAL 0.592 0.187 0.506 0.706
A 4158 ALA 0.575 0.067 0.703 0.067
A 4159 LEU 0.315 -0.454 0.074 0.556
A 4160 PHE 0.624 0.459 0.617 0.628
A 4161 THR 0.519 0.189 0.670 0.317
A 4162 GLY 0.668 0.583 0.668 N/A
A 4163 LEU 0.475 0.168 0.495 0.454
A 4164 ALA 0.281 -0.210 0.224 0.507
A 4165 PHE 0.392 0.090 0.224 0.488
Overall mean Q-Score: 0.35
> select #3/A:1418-4000
18099 atoms, 18510 bonds, 2 pseudobonds, 2295 residues, 2 models selected
> fitmap sel inMap #4
Fit molecule long linker model 00.pdb (#3) to map J1140_006_356A.mrc (#4)
using 18099 atoms
average map value = 0.1147, steps = 28
shifted from previous position = 0.00886
rotated from previous position = 0.0118 degrees
atoms outside contour = 3721, contour level = 0.060066
Position of long linker model 00.pdb (#3) relative to J1140_006_356A.mrc (#4)
coordinates:
Matrix rotation and translation
0.99757790 0.03815678 -0.05815837 6.13933832
0.01855833 0.65980058 0.75121155 -70.13455165
0.06703674 -0.75047136 0.65749435 177.57553776
Axis -0.99645847 -0.08307462 -0.01300477
Axis point 0.00000000 160.63302894 166.39501019
Rotation angle (degrees) 48.89534913
Shift along axis -2.60052332
> ui tool show "Model-map Q-Score"
> transparency #4 60
> style #3 stick
Changed 22917 atom styles
> color #3 byhetero
> open /Users/rk-mm2025/Desktop/ATPVi_MD_longlinker/IDAd_ATPVi_MD.pdb
Chain information for IDAd_ATPVi_MD.pdb #5
---
Chain | Description
A | No description available
> show #!4 models
> hide #!5 models
> show #!5 models
> hide #!3 models
> hide #!4 models
> hide #!2 models
> hide #!1 models
> show #!3 models
> open /Users/rk-
> mm2025/Desktop/ATPVi_MD_longlinker/Dyneind_ADPVi_Full_1018_FM_J1140ver2.pdb
Chain information for Dyneind_ADPVi_Full_1018_FM_J1140ver2.pdb #6
---
Chain | Description
A | No description available
> open /Users/rk-
> mm2025/Desktop/ATPVi_MD_longlinker/Dyneind_ADPVi_Full_1018_FM_J1140.pdb
Chain information for Dyneind_ADPVi_Full_1018_FM_J1140.pdb #7
---
Chain | Description
A | No description available
> open "/Users/rk-mm2025/Desktop/ATPVi_MD_longlinker/long linker model
> 00_J1140.pdb"
Chain information for long linker model 00_J1140.pdb #8
---
Chain | Description
A | No description available
> open /Users/rk-
> mm2025/Desktop/ATPVi_MD_longlinker/noHead_Dyneind_ADPVi_Full_1018_FM_J1140ver2.pdb
Summary of feedback from opening /Users/rk-
mm2025/Desktop/ATPVi_MD_longlinker/noHead_Dyneind_ADPVi_Full_1018_FM_J1140ver2.pdb
---
warning | Ignored bad PDB record found on line 29766
Chain information for noHead_Dyneind_ADPVi_Full_1018_FM_J1140ver2.pdb #9
---
Chain | Description
A | No description available
Computing secondary structure
> show #!4 models
> hide #!8 models
> hide #!9 models
> hide #!5 models
> hide #!4 models
> hide #!3 models
> close #7
> show #!9 models
> close #6
> show #!8 models
> show #!3 models
> hide #!8 models
> color #3 #ff85ffff
> show #!4 models
> hide #!3 models
> volume gaussina #4 sDev 1.3
Expected a density maps specifier or a keyword
> volume gaussian #4 sDev 1.3
Opened J1140_006_356A.mrc gaussian as #6, grid size 400,400,400, pixel 0.873,
shown at step 1, values float32
> transparency #4 60
> style #9 stick
Changed 29764 atom styles
> color #9 byhetero
> qscore #9 toVolume #4 useGui false pointsPerShell 8 shellRadiusStep 0.100
> maxShellRadius 2.00 referenceGaussianSigma 0.60 logDetails false assignAttr
> false
WARNING: the following residues in #9 have atoms outside the bounds of volume
#4 and will be excluded from the Q-score calculation:
#9/A:249-265,283,285,288-289,292-293,295-297,299-300,302-323
Overall mean Q-Score: 0.27
> show #!1 models
> hide #!1 models
> select add #6
18099 atoms, 18510 bonds, 2 pseudobonds, 2295 residues, 4 models selected
> select add #3
22917 atoms, 23440 bonds, 2 pseudobonds, 2894 residues, 4 models selected
> select subtract #3
2 models selected
> transparency #6.1 50
> show #!1 models
> select add #1
4 models selected
> select subtract #6
2 models selected
> ui mousemode right "rotate selected models"
> view matrix models
> #1,0.96419,0.094358,0.24785,-109.23,-0.19215,0.8927,0.40764,-49.936,-0.18279,-0.44067,0.87886,248.34
> view matrix models
> #1,0.99502,0.048234,0.087252,-45.871,-0.06184,0.98507,0.16066,-33.201,-0.0782,-0.16525,0.98315,85.914
> view matrix models
> #1,0.99965,-0.015116,-0.021686,12.947,0.014162,0.99895,-0.043505,11.505,0.022321,0.043182,0.99882,-21.039
> view matrix models
> #1,0.99541,0.046585,0.083616,-44.138,-0.059124,0.98624,0.15438,-32.192,-0.075274,-0.15861,0.98447,82.298
> view matrix models
> #1,0.99825,-0.035083,-0.047558,29.348,0.03031,0.99476,-0.097616,27.243,0.050734,0.096004,0.99409,-45.945
> view matrix models
> #1,0.99901,-0.025979,-0.036117,21.959,0.023275,0.99703,-0.073373,19.998,0.037916,0.07246,0.99665,-34.959
> view matrix models
> #1,-0.80521,-0.040619,-0.59159,838.18,0.062944,-0.99787,-0.017159,630.52,-0.58963,-0.051054,0.80606,286.24
> view matrix models
> #1,-0.90922,0.028979,-0.41532,786.16,0.026843,-0.99142,-0.12794,681.19,-0.41546,-0.12748,0.90064,217.59
> view matrix models
> #1,-0.88823,-0.020827,-0.45892,811.15,0.076385,-0.99176,-0.10283,655.4,-0.453,-0.12639,0.88251,236.53
> view matrix models
> #1,-0.89026,-0.034896,-0.45411,814.62,0.095856,-0.98908,-0.11191,651.31,-0.44525,-0.14316,0.88389,238.83
> view matrix models
> #1,-0.97008,-0.17505,-0.16825,782.06,0.083069,-0.89042,0.4475,418.78,-0.22815,0.42013,0.87832,-14.268
> ui mousemode right "translate selected models"
> view matrix models
> #1,-0.97008,-0.17505,-0.16825,717.49,0.083069,-0.89042,0.4475,281.28,-0.22815,0.42013,0.87832,-29.781
> view matrix models
> #1,-0.97008,-0.17505,-0.16825,588.69,0.083069,-0.89042,0.4475,291.21,-0.22815,0.42013,0.87832,-61.53
> ui mousemode right "rotate selected models"
> view matrix models
> #1,-0.97249,-0.060463,-0.22497,573.26,-0.046629,-0.89566,0.44229,338.52,-0.22824,0.44061,0.8682,-64.408
> view matrix models
> #1,-0.98276,-0.087315,-0.16297,562.69,-0.043081,-0.74906,0.6611,209.79,-0.1798,0.65672,0.73238,-100.79
> ui mousemode right "translate selected models"
> view matrix models
> #1,-0.98276,-0.087315,-0.16297,577.55,-0.043081,-0.74906,0.6611,279.33,-0.1798,0.65672,0.73238,-122.24
> hide #!1 models
> show #!1 models
> hide #!1 models
> select add #6
4 models selected
> select subtract #1
2 models selected
> transparency #6.1 30
> show #!1 models
> ui mousemode right "rotate selected models"
> view matrix models
> #6,0.99993,0.0072535,0.0091364,-2.5472,-0.0074704,0.99969,0.023938,-2.2955,-0.0089599,-0.024005,0.99967,5.4727
> undo
> select subtract #6
Nothing selected
> select add #1
2 models selected
> ui mousemode right "rotate selected models"
> view matrix models
> #1,-0.99183,-0.080436,-0.098994,554.95,-0.022916,-0.6511,0.75864,205.15,-0.12548,0.75472,0.64394,-139.8
> ui mousemode right "translate selected models"
> view matrix models
> #1,-0.99183,-0.080436,-0.098994,562.1,-0.022916,-0.6511,0.75864,210.58,-0.12548,0.75472,0.64394,-156.43
> transparency #1 60
> hide #!9 models
> transparency #1.1 80
> color #1 #ff9300ff models
> transparency #1.1 70
> select add #6
4 models selected
> select subtract #1
2 models selected
> transparency #6.1 70
> select add #1
4 models selected
> select subtract #6
2 models selected
> ui mousemode right "rotate selected models"
> view matrix models
> #1,-0.99648,-0.067231,-0.050139,541.5,0.0024023,-0.62046,0.78423,182.77,-0.083834,0.78135,0.61844,-169.72
> ui mousemode right "translate selected models"
> view matrix models
> #1,-0.99648,-0.067231,-0.050139,548.76,0.0024023,-0.62046,0.78423,180.53,-0.083834,0.78135,0.61844,-176.66
> fitmap #1 inMap #6
Fit map J1800_003_volume_map_sharp.mrc in map J1140_006_356A.mrc gaussian
using 26592 points
correlation = 0.5148, correlation about mean = -0.01868, overlap = 127.3
steps = 636, shift = 10.8, angle = 15.5 degrees
Position of J1800_003_volume_map_sharp.mrc (#1) relative to J1140_006_356A.mrc
gaussian (#6) coordinates:
Matrix rotation and translation
-0.96479883 0.13318312 -0.22677187 511.50805342
-0.26099226 -0.59094039 0.76332987 268.39079381
-0.03234600 0.79564547 0.60489836 -192.61186370
Axis 0.07332722 -0.44117117 -0.89442222
Axis point 267.10843061 150.21976158 0.00000000
Rotation angle (degrees) 167.27029368
Shift along axis 91.37751501
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> hide #!6 models
> show #!6 models
> ui mousemode right "translate selected models"
> view matrix models
> #1,-0.9648,0.13318,-0.22677,518.18,-0.26099,-0.59094,0.76333,270.79,-0.032346,0.79565,0.6049,-195.32
> fitmap #1 inMap #6
Fit map J1800_003_volume_map_sharp.mrc in map J1140_006_356A.mrc gaussian
using 26592 points
correlation = 0.5148, correlation about mean = -0.01868, overlap = 127.3
steps = 292, shift = 7.59, angle = 0.00304 degrees
Position of J1800_003_volume_map_sharp.mrc (#1) relative to J1140_006_356A.mrc
gaussian (#6) coordinates:
Matrix rotation and translation
-0.96478736 0.13318294 -0.22682076 511.51435223
-0.26103049 -0.59094885 0.76331025 268.41046336
-0.03237956 0.79563922 0.60490479 -192.59952395
Axis 0.07335060 -0.44116414 -0.89442377
Axis point 267.11246502 150.22242690 0.00000000
Rotation angle (degrees) 167.26906711
Shift along axis 91.37240883
> save /Users/rk-mm2025/Desktop/ATPVi_longMD-whole.cxs
> show #!9 models
> volume #1 level 0.1944
> volume #1 level 0.1384
> rainbow #!9
> volume #6 level 0.02545
> transparency #6 60
> transparency #4 60
> qscore #9 toVolume #4 useGui false pointsPerShell 8 shellRadiusStep 0.100
> maxShellRadius 2.00 referenceGaussianSigma 0.60 logDetails true assignAttr
> false
WARNING: the following residues in #9 have atoms outside the bounds of volume
#4 and will be excluded from the Q-score calculation:
#9/A:249-265,283,285,288-289,292-293,295-297,299-300,302-323
Chain Number Name Qavg Qworst Qbb Qsc
-------------------------------------------------------
A 65 VAL 0.111 -0.383 -0.007 0.268
A 66 THR -0.316 -0.706 -0.197 -0.474
A 67 TYR -0.317 -0.741 -0.329 -0.312
A 68 SER 0.196 0.007 0.232 0.125
A 69 HIS 0.200 -0.286 0.314 0.125
A 70 LEU -0.221 -0.497 -0.043 -0.398
A 71 LEU 0.390 -0.130 0.684 0.097
A 72 PRO 0.284 -0.120 0.245 0.336
A 73 LYS 0.069 -0.528 -0.123 0.223
A 74 VAL 0.397 -0.576 0.206 0.651
A 75 MET 0.036 -0.549 -0.205 0.276
A 76 ALA -0.113 -0.505 -0.158 0.067
A 77 PRO 0.039 -0.089 0.025 0.059
A 78 PHE 0.054 -0.535 0.107 0.024
A 79 GLU 0.250 -0.574 0.320 0.195
A 80 THR -0.171 -0.451 -0.182 -0.156
A 81 ARG -0.167 -0.824 -0.008 -0.259
A 82 SER -0.426 -0.780 -0.421 -0.436
A 83 GLY -0.085 -0.673 -0.085 N/A
A 84 GLU -0.340 -0.731 -0.086 -0.543
A 85 THR 0.001 -0.499 -0.342 0.458
A 86 PRO 0.055 -0.343 -0.044 0.186
A 87 ARG -0.306 -0.766 -0.442 -0.227
A 88 LYS -0.295 -0.617 -0.485 -0.142
A 89 VAL -0.134 -0.711 0.233 -0.623
A 90 LEU -0.037 -0.707 -0.303 0.229
A 91 ILE 0.191 -0.598 0.338 0.044
A 92 GLN 0.187 -0.297 0.549 -0.104
A 93 ARG 0.069 -0.446 -0.266 0.260
A 94 ARG -0.026 -0.641 -0.429 0.205
A 95 ARG -0.081 -0.455 -0.230 0.004
A 96 ARG -0.185 -0.745 -0.409 -0.058
A 97 GLN 0.333 -0.236 0.117 0.506
A 98 PHE -0.121 -0.536 -0.224 -0.063
A 99 ALA 0.090 -0.132 0.041 0.286
A 100 ALA 0.604 0.341 0.552 0.812
A 101 GLN 0.085 -0.636 0.229 -0.031
A 102 ASP 0.024 -0.781 -0.063 0.111
A 103 VAL -0.097 -0.578 -0.156 -0.018
A 104 ALA -0.123 -0.315 -0.145 -0.034
A 105 GLU 0.070 -0.435 -0.131 0.231
A 106 LEU -0.016 -0.413 0.012 -0.044
A 107 VAL -0.193 -0.609 -0.211 -0.169
A 108 HIS 0.045 -0.610 0.270 -0.105
A 109 GLY 0.047 -0.520 0.047 N/A
A 110 GLU -0.180 -0.707 0.009 -0.331
A 111 GLY 0.412 0.234 0.412 N/A
A 112 VAL -0.409 -0.687 -0.392 -0.431
A 113 ALA -0.187 -0.411 -0.151 -0.330
A 114 GLN -0.012 -0.596 0.008 -0.027
A 115 PRO 0.118 -0.427 0.165 0.056
A 116 PRO 0.030 -0.536 -0.062 0.153
A 117 GLN -0.108 -0.662 -0.217 -0.020
A 118 GLU -0.268 -0.696 -0.419 -0.147
A 119 LEU -0.073 -0.457 -0.259 0.113
A 120 PHE 0.180 -0.825 0.249 0.140
A 121 PRO 0.010 -0.309 -0.043 0.081
A 122 LEU -0.124 -0.632 0.144 -0.393
A 123 GLU 0.243 -0.251 0.367 0.143
A 124 VAL 0.021 -0.461 0.187 -0.202
A 125 PHE 0.033 -0.728 0.102 -0.007
A 126 ASP 0.152 -0.514 -0.089 0.392
A 127 ASN 0.268 -0.326 0.248 0.288
A 128 THR 0.018 -0.275 0.140 -0.145
A 129 ASN 0.442 0.089 0.372 0.512
A 130 PHE 0.044 -0.654 -0.082 0.115
A 131 GLU -0.006 -0.620 -0.295 0.225
A 132 SER -0.103 -0.487 -0.119 -0.070
A 133 ARG 0.239 -0.054 0.188 0.269
A 134 MET 0.006 -0.883 0.001 0.011
A 135 HIS -0.205 -0.623 -0.018 -0.329
A 136 PRO -0.271 -0.792 -0.221 -0.337
A 137 GLU 0.156 -0.499 0.363 -0.009
A 138 TRP -0.099 -0.685 0.430 -0.311
A 139 VAL 0.295 -0.183 0.145 0.495
A 140 PRO -0.017 -0.610 -0.225 0.259
A 141 ARG -0.007 -0.504 -0.080 0.035
A 142 ARG -0.155 -0.684 -0.174 -0.144
A 143 PRO -0.085 -0.505 -0.326 0.237
A 144 GLY 0.234 -0.246 0.234 N/A
A 145 VAL 0.280 -0.419 0.099 0.521
A 146 PRO -0.179 -0.695 -0.502 0.252
A 147 LEU -0.057 -0.457 -0.324 0.209
A 148 THR 0.021 -0.304 0.159 -0.162
A 149 SER 0.135 -0.564 -0.095 0.594
A 150 GLY 0.166 0.048 0.166 N/A
A 151 ARG 0.169 -0.603 0.169 0.169
A 152 ALA -0.206 -0.581 -0.158 -0.399
A 153 LEU 0.047 -0.688 0.271 -0.178
A 154 VAL -0.068 -0.614 -0.258 0.185
A 155 ALA -0.334 -0.536 -0.347 -0.280
A 156 HIS -0.049 -0.516 0.051 -0.116
A 157 ASP -0.243 -0.479 -0.152 -0.333
A 158 ASP 0.137 -0.428 0.166 0.109
A 159 GLY -0.253 -0.524 -0.253 N/A
A 160 THR -0.078 -0.404 -0.157 0.028
A 161 GLY 0.075 -0.166 0.075 N/A
A 162 HIS 0.045 -0.630 -0.214 0.217
A 163 SER -0.091 -0.590 0.010 -0.294
A 164 VAL -0.144 -0.710 -0.348 0.128
A 165 VAL -0.242 -0.562 -0.222 -0.269
A 166 ASP -0.166 -0.696 -0.329 -0.002
A 167 TRP -0.112 -0.509 -0.018 -0.149
A 168 VAL 0.148 -0.663 0.544 -0.378
A 169 PRO 0.208 -0.327 0.597 -0.309
A 170 CYS 0.109 -0.353 0.151 0.024
A 171 THR 0.063 -0.368 -0.101 0.281
A 172 VAL 0.292 -0.259 0.489 0.029
A 173 VAL -0.151 -0.646 0.188 -0.602
A 174 ASP 0.305 -0.209 0.617 -0.007
A 175 PHE -0.059 -0.555 -0.117 -0.026
A 176 ASP 0.214 -0.673 0.244 0.184
A 177 GLU 0.202 -0.311 0.085 0.297
A 178 ALA 0.389 -0.214 0.318 0.672
A 179 THR 0.420 -0.362 0.384 0.468
A 180 ASN 0.118 -0.414 -0.114 0.350
A 181 SER -0.081 -0.758 -0.238 0.234
A 182 TYR -0.086 -0.804 0.190 -0.225
A 183 GLY -0.511 -0.834 -0.511 N/A
A 184 VAL -0.104 -0.569 -0.330 0.196
A 185 THR -0.266 -0.713 -0.602 0.182
A 186 LEU -0.317 -0.821 -0.378 -0.255
A 187 HIS 0.018 -0.430 0.060 -0.011
A 188 GLN 0.013 -0.517 0.397 -0.294
A 189 LEU -0.035 -0.823 -0.239 0.169
A 190 ALA -0.151 -0.725 -0.028 -0.640
A 191 HIS 0.047 -0.642 0.309 -0.127
A 192 SER -0.223 -0.597 -0.127 -0.416
A 193 GLY 0.026 -0.084 0.026 N/A
A 194 ASN 0.226 -0.199 0.213 0.240
A 195 GLY -0.351 -0.630 -0.351 N/A
A 196 SER 0.135 -0.502 0.102 0.200
A 197 ALA 0.416 0.232 0.419 0.406
A 198 GLU 0.152 -0.307 -0.106 0.357
A 199 ALA -0.162 -0.526 -0.167 -0.143
A 200 ASP -0.364 -0.649 -0.346 -0.382
A 201 ALA 0.258 0.005 0.246 0.305
A 202 GLU -0.068 -0.513 0.194 -0.277
A 203 ASP -0.315 -0.690 -0.042 -0.588
A 204 MET -0.061 -0.624 0.159 -0.282
A 205 HIS -0.044 -0.789 0.252 -0.242
A 206 VAL 0.068 -0.600 0.188 -0.092
A 207 MET 0.161 -0.709 0.349 -0.026
A 208 TRP -0.185 -0.621 -0.321 -0.131
A 209 LEU 0.339 -0.227 0.113 0.565
A 210 PRO 0.327 0.052 0.319 0.338
A 211 ARG -0.344 -0.675 -0.421 -0.301
A 212 VAL -0.372 -0.712 -0.419 -0.309
A 213 LYS -0.047 -0.560 0.378 -0.388
A 214 VAL 0.116 -0.524 -0.123 0.435
A 215 CYS -0.517 -0.698 -0.574 -0.404
A 216 PHE -0.329 -0.797 -0.374 -0.303
A 217 SER -0.037 -0.390 0.021 -0.154
A 218 ALA -0.229 -0.804 -0.253 -0.132
A 219 GLU -0.189 -0.454 -0.252 -0.138
A 220 ASP -0.057 -0.495 -0.051 -0.063
A 221 PRO -0.239 -0.767 -0.366 -0.069
A 222 ALA 0.379 -0.049 0.410 0.255
A 223 GLN 0.347 -0.242 0.096 0.548
A 224 PHE 0.130 -0.461 0.093 0.151
A 225 ALA -0.026 -0.327 0.001 -0.134
A 226 ARG -0.225 -0.608 -0.372 -0.141
A 227 ARG -0.238 -0.719 -0.352 -0.172
A 228 HIS 0.059 -0.556 -0.022 0.112
A 229 ALA 0.427 -0.382 0.342 0.765
A 230 GLU -0.267 -0.568 -0.352 -0.199
A 231 ALA -0.013 -0.568 0.022 -0.151
A 232 HIS -0.035 -0.820 -0.165 0.052
A 233 ARG -0.030 -0.747 0.280 -0.207
A 234 SER -0.306 -0.775 -0.602 0.288
A 235 ARG -0.003 -0.589 0.008 -0.009
A 236 ALA 0.019 -0.713 0.090 -0.267
A 237 ARG 0.022 -0.625 0.164 -0.059
A 238 ALA -0.172 -0.552 -0.164 -0.200
A 239 GLU -0.153 -0.742 -0.015 -0.264
A 240 SER 0.043 -0.477 0.066 -0.004
A 241 LEU -0.165 -0.740 -0.143 -0.188
A 242 LEU 0.046 -0.437 -0.017 0.108
A 243 ARG 0.125 -0.281 0.153 0.109
A 244 TYR -0.087 -0.720 -0.089 -0.086
A 245 ASN -0.164 -0.517 -0.219 -0.109
A 246 LEU -0.201 -0.783 0.000 -0.401
A 247 TYR -0.125 -0.538 -0.018 -0.178
A 248 VAL 0.092 -0.543 0.044 0.156
A 249 ASP "N/A" "N\A" "N/A" "N/A"
Traceback (most recent call last):
File "/Users/rk-mm2025/Library/Application
Support/ChimeraX/1.10/lib/python/site-packages/chimerax/qscore/ui.py", line
248, in recalc
residue_map, (query_atoms, atom_scores) = run_chimerax_command(self.session,
f'qscore #{m.id_string} to #{v.id_string} useGui false pointsPerShell
{self.points_per_shell} shellRadiusStep {self.shell_radius_step:.3f}
maxShellRadius {self.max_shell_radius:.2f} referenceGaussianSigma
{self.reference_sigma:.2f} logDetails {log_details} {outputfile_text}
assignAttr {self.assign_attr}', log=echo_command)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/run.py", line 49, in run
results = command.run(text, log=log, return_json=return_json)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 3221, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/Users/rk-mm2025/Library/Application
Support/ChimeraX/1.10/lib/python/site-packages/chimerax/qscore/cmd.py", line
40, in qscore
residue_map, (query_atoms, atom_scores) = q_score(residues, to_volume,
ref_sigma=reference_gaussian_sigma,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/Users/rk-mm2025/Library/Application
Support/ChimeraX/1.10/lib/python/site-packages/chimerax/qscore/qscore.py",
line 256, in q_score
report_results(residue_scores, query_atoms, q_scores, oob_residues,
log=log_details, filename=output_file)
File "/Users/rk-mm2025/Library/Application
Support/ChimeraX/1.10/lib/python/site-packages/chimerax/qscore/qscore.py",
line 287, in report_results
qavg, qworst = scores
^^^^^^^^^^^^
TypeError: cannot unpack non-iterable NoneType object
TypeError: cannot unpack non-iterable NoneType object
File "/Users/rk-mm2025/Library/Application
Support/ChimeraX/1.10/lib/python/site-packages/chimerax/qscore/qscore.py",
line 287, in report_results
qavg, qworst = scores
^^^^^^^^^^^^
See log for complete Python traceback.
OpenGL version: 4.1 Metal - 89.4
OpenGL renderer: Apple M4
OpenGL vendor: Apple
Python: 3.11.4
Locale: en_US.UTF-8
Qt version: PyQt6 6.8.1, Qt 6.8.2
Qt runtime version: 6.8.2
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: Mac mini
Model Identifier: Mac16,10
Model Number: Z1JX00034J/A
Chip: Apple M4
Total Number of Cores: 10 (4 performance and 6 efficiency)
Memory: 24 GB
System Firmware Version: 11881.121.1
OS Loader Version: 11881.121.1
Software:
System Software Overview:
System Version: macOS 15.5 (24F74)
Kernel Version: Darwin 24.5.0
Time since boot: 4時間 17分
Graphics/Displays:
Apple M4:
Chipset Model: Apple M4
Type: GPU
Bus: Built-In
Total Number of Cores: 10
Vendor: Apple (0x106b)
Metal Support: Metal 3
Displays:
ZOWIE XL LCD:
Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
UI Looks like: 1920 x 1080 @ 60.00Hz
Main Display: Yes
Mirror: Off
Online: Yes
Rotation: Supported
Installed Packages:
alabaster: 1.0.0
appdirs: 1.4.4
appnope: 0.1.4
asttokens: 3.0.0
auditwheel: 6.4.0
babel: 2.17.0
beautifulsoup4: 4.13.3
blockdiag: 3.0.0
blosc2: 3.5.0
build: 1.2.2.post1
certifi: 2023.11.17
cftime: 1.6.4.post1
charset-normalizer: 3.4.2
ChimeraX-AddCharge: 1.5.19
ChimeraX-AddH: 2.2.7
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.6.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.20.2
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Aniso: 1.1.4
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.60.7
ChimeraX-AtomicLibrary: 14.1.18
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.3
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 3.0.0
ChimeraX-Boltz: 1.0
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.2
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.5.1
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.4
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.5
ChimeraX-ChemGroup: 2.0.2
ChimeraX-Clashes: 2.3
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.8
ChimeraX-CommandLine: 1.3
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.10
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.5
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.4
ChimeraX-Dicom: 1.2.7
ChimeraX-DistMonitor: 1.4.2
ChimeraX-DockPrep: 1.1.4
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.4.1
ChimeraX-Hbonds: 2.5.1
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.3
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.6.2
ChimeraX-Label: 1.1.14
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.1
ChimeraX-Map: 1.3
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-MatchMaker: 2.2.2
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.10.1
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.19
ChimeraX-ModelPanel: 1.5.1
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0.3
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0
ChimeraX-MutationScores: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.14.1
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.10
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.4
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.3
ChimeraX-ProfileGrids: 1.1.2
ChimeraX-PubChem: 2.2
ChimeraX-QScore: 1.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.6.3
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.3
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.7
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.17.1
ChimeraX-Shape: 1.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.2.1
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-SimilarStructures: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.19.1
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.2.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.5.2
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.2.3
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.45.2
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.1
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.4.4
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-vrml: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.5
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.2.2
contourpy: 1.3.2
coverage: 7.9.1
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.0.12
debugpy: 1.8.14
decorator: 5.2.1
docutils: 0.21.2
executing: 2.2.0
filelock: 3.18.0
fonttools: 4.58.4
funcparserlib: 2.0.0a0
glfw: 2.9.0
grako: 3.16.5
h5py: 3.14.0
html2text: 2024.2.26
idna: 3.10
ihm: 2.2
imagecodecs: 2024.6.1
imagesize: 1.4.1
iniconfig: 2.1.0
ipykernel: 6.29.5
ipython: 8.26.0
ipywidgets: 8.1.7
jedi: 0.19.1
Jinja2: 3.1.6
jupyter_client: 8.6.3
jupyter_core: 5.8.1
jupyterlab_widgets: 3.0.15
kiwisolver: 1.4.8
line_profiler: 4.2.0
lxml: 5.3.1
lz4: 4.4.4
MarkupSafe: 3.0.2
matplotlib: 3.10.1
matplotlib-inline: 0.1.7
msgpack: 1.1.0
ndindex: 1.10.0
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.11.0
numpy: 1.26.4
OpenMM: 8.2.0
openvr: 1.26.701
packaging: 24.2
ParmEd: 4.2.2
parso: 0.8.4
pep517: 0.13.1
pexpect: 4.9.0
pickleshare: 0.7.5
pillow: 10.4.0
pip: 25.0.1
pkginfo: 1.11.1
platformdirs: 4.3.8
pluggy: 1.6.0
prompt_toolkit: 3.0.51
psutil: 7.0.0
ptyprocess: 0.7.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pycollada: 0.8
pydicom: 2.4.4
pyelftools: 0.32
Pygments: 2.18.0
pynmrstar: 3.3.5
pynrrd: 1.0.0
PyOpenGL: 3.1.9
PyOpenGL-accelerate: 3.1.9
pyopenxr: 1.1.4501
pyparsing: 3.2.3
pyproject_hooks: 1.2.0
PyQt6-commercial: 6.8.1
PyQt6-Qt6: 6.8.2
PyQt6-WebEngine-commercial: 6.8.0
PyQt6-WebEngine-Qt6: 6.8.2
PyQt6_sip: 13.10.0
pytest: 8.4.1
pytest-cov: 6.2.1
python-dateutil: 2.9.0.post0
pytz: 2025.2
pyzmq: 27.0.0
qtconsole: 5.5.2
QtPy: 2.4.3
qtshim: 1.1
RandomWords: 0.4.0
requests: 2.32.3
roman-numerals-py: 3.1.0
scipy: 1.14.0
setuptools: 78.1.0
sfftk-rw: 0.8.1
six: 1.16.0
snowballstemmer: 3.0.1
sortedcontainers: 2.4.0
soupsieve: 2.7
Sphinx: 8.2.3
sphinx-autodoc-typehints: 3.1.0
sphinxcontrib-applehelp: 2.0.0
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 2.0.0
sphinxcontrib-htmlhelp: 2.1.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 2.0.0
sphinxcontrib-serializinghtml: 2.0.0
stack-data: 0.6.3
superqt: 0.7.1
tables: 3.10.2
tcia_utils: 1.5.1
tifffile: 2025.3.13
tinyarray: 1.2.4
tornado: 6.5.1
traitlets: 5.14.3
typing_extensions: 4.14.0
tzdata: 2025.2
urllib3: 2.5.0
wcwidth: 0.2.13
webcolors: 24.11.1
wheel: 0.45.1
wheel-filename: 1.4.2
widgetsnbextension: 4.0.14
Change History (2)
comment:1 by , 6 weeks ago
| Component: | Unassigned → Third Party |
|---|---|
| Description: | modified (diff) |
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → QScore: scores is None |
comment:2 by , 6 weeks ago
| Owner: | changed from to |
|---|
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