REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1mzn_1_C DATA FIRST_RESID 1229 DATA SEQUENCE DMPVERILEA ELAVEPXXXX XXXXXXXXXX XXXXDPVTNI CQAADKQLFT DATA SEQUENCE LVEWAKRIPH FSELPLDDQV ILLRAGWNEL LIASFSHRSI AVKDGILLAT DATA SEQUENCE GLHVHRNSAH SAGVGAIFDR VLTELVSKMR DMQMDKTELG CLRAIVLFNP DATA SEQUENCE DSKGLSNPAE VEALREKVYA SLEAYCKHKY PEQPGRFAKL LLRLPALRSI DATA SEQUENCE GLKCLEHLFF FKLIGDTPID TFLMEMLEAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1229 D HA 0.000 nan 4.640 nan 0.000 0.175 1229 D C 0.000 176.399 176.300 0.165 0.000 2.045 1229 D CA 0.000 54.057 54.000 0.095 0.000 0.868 1229 D CB 0.000 40.800 40.800 0.001 0.000 0.688 1230 M N 1.567 121.219 119.600 0.087 0.000 2.389 1230 M HA 0.472 4.945 4.480 -0.012 0.000 0.206 1230 M C -2.860 173.480 176.300 0.066 0.000 0.976 1230 M CA -1.877 53.483 55.300 0.099 0.000 0.648 1230 M CB 1.517 34.160 32.600 0.071 0.000 1.474 1230 M HN -0.326 nan 8.290 nan 0.000 0.398 1231 P HA 0.073 nan 4.420 nan 0.000 0.271 1231 P C 1.150 178.465 177.300 0.026 0.000 1.220 1231 P CA -0.302 62.821 63.100 0.039 0.000 0.768 1231 P CB 0.639 32.357 31.700 0.030 0.000 0.848 1232 V N 0.914 120.839 119.914 0.018 0.000 2.759 1232 V HA -0.202 3.911 4.120 -0.012 0.000 0.256 1232 V C 1.482 177.549 176.094 -0.046 0.000 1.080 1232 V CA 1.537 63.815 62.300 -0.036 0.000 1.101 1232 V CB -1.273 30.490 31.823 -0.100 0.000 0.698 1232 V HN 0.286 nan 8.190 nan 0.000 0.477 1233 E N 0.580 120.775 120.200 -0.008 0.000 2.106 1233 E HA -0.065 4.278 4.350 -0.012 0.000 0.192 1233 E C 2.398 178.993 176.600 -0.008 0.000 0.984 1233 E CA 0.993 57.391 56.400 -0.004 0.000 0.806 1233 E CB -0.309 29.400 29.700 0.015 0.000 0.750 1233 E HN 0.464 nan 8.360 nan 0.000 0.458 1234 R N 0.172 120.667 120.500 -0.008 0.000 2.090 1234 R HA 0.017 4.350 4.340 -0.012 0.000 0.228 1234 R C 2.340 178.623 176.300 -0.029 0.000 1.110 1234 R CA 0.827 56.916 56.100 -0.019 0.000 0.973 1234 R CB -0.478 29.809 30.300 -0.021 0.000 0.869 1234 R HN 0.301 nan 8.270 nan 0.000 0.440 1235 I N 0.930 121.488 120.570 -0.021 0.000 2.202 1235 I HA -0.248 3.914 4.170 -0.012 0.000 0.242 1235 I C 2.468 178.593 176.117 0.013 0.000 1.091 1235 I CA 0.784 62.076 61.300 -0.012 0.000 1.368 1235 I CB -0.293 37.710 38.000 0.005 0.000 1.058 1235 I HN 0.101 nan 8.210 nan 0.000 0.410 1236 L N 1.227 122.441 121.223 -0.015 0.000 2.079 1236 L HA -0.241 4.092 4.340 -0.012 0.000 0.210 1236 L C 2.356 179.237 176.870 0.019 0.000 1.081 1236 L CA 2.084 56.918 54.840 -0.010 0.000 0.752 1236 L CB -0.824 41.213 42.059 -0.037 0.000 0.896 1236 L HN 0.395 nan 8.230 nan 0.000 0.433 1237 E N -0.400 119.807 120.200 0.011 0.000 2.106 1237 E HA -0.177 4.166 4.350 -0.012 0.000 0.192 1237 E C 2.111 178.731 176.600 0.034 0.000 0.984 1237 E CA 1.102 57.512 56.400 0.018 0.000 0.806 1237 E CB 0.056 29.757 29.700 0.003 0.000 0.750 1237 E HN 0.557 nan 8.360 nan 0.000 0.458 1238 A N 1.301 124.134 122.820 0.023 0.000 1.933 1238 A HA -0.192 4.121 4.320 -0.012 0.000 0.218 1238 A C 2.020 179.755 177.584 0.251 0.000 1.175 1238 A CA 1.415 53.471 52.037 0.033 0.000 0.628 1238 A CB -0.401 18.483 19.000 -0.194 0.000 0.814 1238 A HN 0.230 nan 8.150 nan 0.000 0.444 1239 E N 0.062 120.410 120.200 0.247 0.000 2.047 1239 E HA -0.128 4.215 4.350 -0.012 0.000 0.191 1239 E C 2.101 178.766 176.600 0.109 0.000 0.987 1239 E CA 1.064 57.585 56.400 0.203 0.000 0.799 1239 E CB -0.407 29.349 29.700 0.093 0.000 0.752 1239 E HN 0.678 nan 8.360 nan 0.000 0.449 1240 L N 0.410 121.680 121.223 0.078 0.000 2.072 1240 L HA -0.078 4.255 4.340 -0.012 0.000 0.205 1240 L C 2.554 179.461 176.870 0.062 0.000 1.079 1240 L CA 0.915 55.789 54.840 0.057 0.000 0.752 1240 L CB -0.526 41.559 42.059 0.043 0.000 0.906 1240 L HN 0.043 nan 8.230 nan 0.000 0.436 1241 A N -0.448 122.414 122.820 0.070 0.000 2.024 1241 A HA -0.126 4.186 4.320 -0.012 0.000 0.220 1241 A C 2.157 179.787 177.584 0.077 0.000 1.164 1241 A CA 1.692 53.768 52.037 0.064 0.000 0.643 1241 A CB -0.509 18.526 19.000 0.057 0.000 0.806 1241 A HN 0.264 nan 8.150 nan 0.000 0.451 1242 V N -0.227 119.749 119.914 0.104 0.000 3.471 1242 V HA 0.020 4.133 4.120 -0.012 0.000 0.258 1242 V C 0.987 177.121 176.094 0.066 0.000 1.192 1242 V CA 0.239 62.600 62.300 0.103 0.000 1.116 1242 V CB -0.549 31.367 31.823 0.155 0.000 0.792 1242 V HN 0.646 nan 8.190 nan 0.000 0.459 1243 E N 2.801 123.033 120.200 0.055 0.000 2.652 1243 E HA -0.001 4.342 4.350 -0.012 0.000 0.255 1243 E C -1.663 174.960 176.600 0.037 0.000 0.952 1243 E CA -0.958 55.465 56.400 0.038 0.000 0.947 1243 E CB 0.541 30.264 29.700 0.039 0.000 0.912 1243 E HN 0.364 nan 8.360 nan 0.000 0.489 1264 P HA -0.124 nan 4.420 nan 0.000 0.216 1264 P C 1.467 178.720 177.300 -0.079 0.000 1.150 1264 P CA 0.602 63.656 63.100 -0.076 0.000 0.843 1264 P CB 0.361 31.998 31.700 -0.106 0.000 0.787 1265 V N -0.765 119.084 119.914 -0.108 0.000 2.427 1265 V HA -0.220 3.893 4.120 -0.012 0.000 0.248 1265 V C 2.273 178.299 176.094 -0.113 0.000 1.051 1265 V CA 2.410 64.631 62.300 -0.132 0.000 1.048 1265 V CB -1.694 29.943 31.823 -0.309 0.000 0.666 1265 V HN 0.198 nan 8.190 nan 0.000 0.456 1266 T N 0.384 114.872 114.554 -0.110 0.000 2.746 1266 T HA -0.156 4.187 4.350 -0.012 0.000 0.267 1266 T C 1.846 176.525 174.700 -0.036 0.000 1.039 1266 T CA 1.573 63.631 62.100 -0.071 0.000 1.142 1266 T CB -0.355 68.475 68.868 -0.064 0.000 0.866 1266 T HN 0.461 nan 8.240 nan 0.000 0.444 1267 N N 1.206 119.884 118.700 -0.037 0.000 2.120 1267 N HA 0.017 4.750 4.740 -0.012 0.000 0.188 1267 N C 1.942 177.438 175.510 -0.024 0.000 1.024 1267 N CA 0.973 54.008 53.050 -0.024 0.000 0.852 1267 N CB -0.375 38.098 38.487 -0.025 0.000 1.003 1267 N HN 0.385 nan 8.380 nan 0.000 0.424 1268 I N 0.679 121.229 120.570 -0.033 0.000 2.226 1268 I HA -0.261 3.902 4.170 -0.012 0.000 0.245 1268 I C 2.162 178.276 176.117 -0.004 0.000 1.100 1268 I CA 0.821 62.096 61.300 -0.042 0.000 1.374 1268 I CB -0.236 37.740 38.000 -0.039 0.000 1.057 1268 I HN 0.129 nan 8.210 nan 0.000 0.413 1269 C N 0.226 119.541 119.300 0.026 0.000 2.432 1269 C HA -0.123 4.329 4.460 -0.012 0.000 0.280 1269 C C 2.799 177.822 174.990 0.055 0.000 1.353 1269 C CA 0.662 59.719 59.018 0.065 0.000 1.766 1269 C CB -1.048 26.741 27.740 0.081 0.000 1.924 1269 C HN 0.520 nan 8.230 nan 0.000 0.509 1270 Q N 0.660 120.481 119.800 0.035 0.000 2.083 1270 Q HA -0.085 4.248 4.340 -0.012 0.000 0.198 1270 Q C 2.525 178.555 176.000 0.050 0.000 0.969 1270 Q CA 1.649 57.477 55.803 0.043 0.000 0.838 1270 Q CB -0.291 28.462 28.738 0.025 0.000 0.900 1270 Q HN 0.728 nan 8.270 nan 0.000 0.436 1271 A N 1.119 123.955 122.820 0.027 0.000 1.930 1271 A HA -0.086 4.227 4.320 -0.012 0.000 0.217 1271 A C 2.288 179.901 177.584 0.048 0.000 1.175 1271 A CA 1.470 53.521 52.037 0.025 0.000 0.627 1271 A CB -0.700 18.289 19.000 -0.018 0.000 0.815 1271 A HN 0.383 nan 8.150 nan 0.000 0.443 1272 A N 0.069 122.918 122.820 0.049 0.000 1.902 1272 A HA -0.214 4.098 4.320 -0.012 0.000 0.217 1272 A C 1.829 179.442 177.584 0.047 0.000 1.181 1272 A CA 2.174 54.252 52.037 0.070 0.000 0.623 1272 A CB -0.760 18.303 19.000 0.105 0.000 0.818 1272 A HN 0.578 nan 8.150 nan 0.000 0.443 1273 D N -0.738 119.703 120.400 0.069 0.000 2.117 1273 D HA -0.191 4.442 4.640 -0.012 0.000 0.197 1273 D C 1.977 178.437 176.300 0.267 0.000 0.987 1273 D CA 1.688 55.752 54.000 0.107 0.000 0.829 1273 D CB -0.092 40.807 40.800 0.165 0.000 0.961 1273 D HN 0.494 nan 8.370 nan 0.000 0.460 1274 K N -0.450 120.090 120.400 0.234 0.000 2.057 1274 K HA -0.170 4.143 4.320 -0.012 0.000 0.207 1274 K C 1.961 178.729 176.600 0.279 0.000 1.049 1274 K CA 1.067 57.516 56.287 0.270 0.000 0.931 1274 K CB 0.081 32.657 32.500 0.127 0.000 0.714 1274 K HN 0.092 nan 8.250 nan 0.000 0.440 1275 Q N 0.601 120.493 119.800 0.153 0.000 2.369 1275 Q HA -0.041 4.292 4.340 -0.012 0.000 0.206 1275 Q C 2.060 178.097 176.000 0.062 0.000 0.963 1275 Q CA 0.700 56.566 55.803 0.105 0.000 0.894 1275 Q CB 0.001 28.777 28.738 0.064 0.000 0.965 1275 Q HN 0.406 nan 8.270 nan 0.000 0.475 1276 L N -0.851 120.348 121.223 -0.040 0.000 2.093 1276 L HA -0.145 4.188 4.340 -0.012 0.000 0.208 1276 L C 1.968 178.792 176.870 -0.077 0.000 1.085 1276 L CA 0.959 55.591 54.840 -0.346 0.000 0.755 1276 L CB -0.407 40.989 42.059 -1.105 0.000 0.904 1276 L HN 0.126 nan 8.230 nan 0.000 0.435 1277 F N 0.170 120.272 119.950 0.254 0.000 2.102 1277 F HA -0.251 4.270 4.527 -0.011 0.000 0.298 1277 F C 2.897 178.807 175.800 0.184 0.000 1.105 1277 F CA 1.896 60.086 58.000 0.317 0.000 1.239 1277 F CB -1.096 38.030 39.000 0.210 0.000 0.991 1277 F HN 0.177 nan 8.300 nan 0.000 0.474 1278 T N -1.480 113.263 114.554 0.315 0.000 2.962 1278 T HA -0.148 4.195 4.350 -0.012 0.000 0.270 1278 T C 1.893 176.703 174.700 0.184 0.000 1.088 1278 T CA 0.904 63.129 62.100 0.209 0.000 1.127 1278 T CB -0.682 68.276 68.868 0.151 0.000 0.883 1278 T HN 0.168 nan 8.240 nan 0.000 0.493 1279 L N 1.640 122.946 121.223 0.137 0.000 2.017 1279 L HA 0.026 4.359 4.340 -0.012 0.000 0.208 1279 L C 2.594 179.589 176.870 0.208 0.000 1.073 1279 L CA 1.414 56.328 54.840 0.124 0.000 0.745 1279 L CB -0.830 41.241 42.059 0.021 0.000 0.894 1279 L HN 0.176 nan 8.230 nan 0.000 0.432 1280 V N -0.177 119.841 119.914 0.173 0.000 2.332 1280 V HA -0.253 3.860 4.120 -0.012 0.000 0.248 1280 V C 2.647 178.825 176.094 0.141 0.000 1.055 1280 V CA 1.853 64.251 62.300 0.162 0.000 1.038 1280 V CB -0.784 31.156 31.823 0.196 0.000 0.651 1280 V HN 0.462 nan 8.190 nan 0.000 0.450 1281 E N -0.996 119.303 120.200 0.165 0.000 2.110 1281 E HA -0.249 4.094 4.350 -0.012 0.000 0.193 1281 E C 1.785 178.449 176.600 0.106 0.000 0.988 1281 E CA 1.504 57.981 56.400 0.129 0.000 0.804 1281 E CB -0.347 29.435 29.700 0.137 0.000 0.745 1281 E HN 0.845 nan 8.360 nan 0.000 0.458 1282 W N 1.934 123.214 121.300 -0.034 0.000 2.354 1282 W HA -0.191 4.461 4.660 -0.013 0.000 0.315 1282 W C 2.418 178.849 176.519 -0.147 0.000 1.206 1282 W CA 2.523 59.822 57.345 -0.077 0.000 1.290 1282 W CB -0.545 28.861 29.460 -0.089 0.000 1.152 1282 W HN 0.037 nan 8.180 nan 0.000 0.489 1283 A N 0.853 123.472 122.820 -0.335 0.000 1.917 1283 A HA -0.276 4.037 4.320 -0.012 0.000 0.219 1283 A C 1.972 179.199 177.584 -0.596 0.000 1.182 1283 A CA 2.296 53.781 52.037 -0.920 0.000 0.633 1283 A CB -0.918 17.507 19.000 -0.959 0.000 0.819 1283 A HN 0.431 nan 8.150 nan 0.000 0.448 1284 K N -0.834 119.462 120.400 -0.174 0.000 2.211 1284 K HA -0.127 4.186 4.320 -0.012 0.000 0.204 1284 K C 1.993 178.558 176.600 -0.058 0.000 1.047 1284 K CA 1.439 57.748 56.287 0.037 0.000 0.935 1284 K CB -0.146 32.395 32.500 0.069 0.000 0.728 1284 K HN 0.421 nan 8.250 nan 0.000 0.452 1285 R N 0.187 120.571 120.500 -0.193 0.000 2.297 1285 R HA 0.108 4.441 4.340 -0.012 0.000 0.197 1285 R C 0.258 176.406 176.300 -0.255 0.000 0.943 1285 R CA 0.054 56.041 56.100 -0.187 0.000 1.038 1285 R CB 0.271 30.473 30.300 -0.164 0.000 0.957 1285 R HN 0.026 nan 8.270 nan 0.000 0.484 1286 I N 2.983 123.316 120.570 -0.395 0.000 2.471 1286 I HA 0.132 4.295 4.170 -0.012 0.000 0.286 1286 I C -2.103 173.990 176.117 -0.040 0.000 1.079 1286 I CA -3.107 57.994 61.300 -0.331 0.000 1.398 1286 I CB 0.631 38.260 38.000 -0.617 0.000 1.403 1286 I HN -0.289 nan 8.210 nan 0.000 0.530 1287 P HA -0.032 nan 4.420 nan 0.000 0.260 1287 P C -0.138 177.263 177.300 0.169 0.000 1.172 1287 P CA 0.856 63.952 63.100 -0.007 0.000 0.760 1287 P CB 0.087 31.817 31.700 0.051 0.000 0.773 1288 H N -0.385 118.746 119.070 0.100 0.000 3.898 1288 H HA -0.251 4.298 4.556 -0.012 0.000 0.171 1288 H C 0.893 176.310 175.328 0.149 0.000 0.920 1288 H CA 1.123 57.217 56.048 0.076 0.000 1.238 1288 H CB -2.426 27.327 29.762 -0.015 0.000 0.997 1288 H HN 0.423 nan 8.280 nan 0.000 0.380 1289 F N 1.590 121.678 119.950 0.229 0.000 2.102 1289 F HA -0.152 4.367 4.527 -0.013 0.000 0.298 1289 F C 2.187 178.053 175.800 0.110 0.000 1.105 1289 F CA 1.973 60.113 58.000 0.233 0.000 1.239 1289 F CB -0.194 38.852 39.000 0.077 0.000 0.991 1289 F HN 0.108 nan 8.300 nan 0.000 0.474 1290 S N -0.230 115.514 115.700 0.075 0.000 2.507 1290 S HA -0.142 4.321 4.470 -0.012 0.000 0.235 1290 S C 1.623 176.176 174.600 -0.079 0.000 0.988 1290 S CA 1.063 59.243 58.200 -0.034 0.000 0.944 1290 S CB -0.416 62.818 63.200 0.057 0.000 0.762 1290 S HN 0.519 nan 8.310 nan 0.000 0.526 1291 E N 0.467 120.639 120.200 -0.048 0.000 2.299 1291 E HA 0.115 4.458 4.350 -0.012 0.000 0.193 1291 E C 0.084 176.642 176.600 -0.070 0.000 0.998 1291 E CA 0.072 56.452 56.400 -0.032 0.000 0.851 1291 E CB 0.049 29.766 29.700 0.028 0.000 0.795 1291 E HN 0.432 nan 8.360 nan 0.000 0.492 1292 L N 2.699 123.841 121.223 -0.134 0.000 2.473 1292 L HA 0.131 4.464 4.340 -0.012 0.000 0.268 1292 L C -1.881 174.902 176.870 -0.145 0.000 1.215 1292 L CA -1.885 52.867 54.840 -0.147 0.000 0.823 1292 L CB -0.184 41.748 42.059 -0.212 0.000 1.099 1292 L HN -0.064 nan 8.230 nan 0.000 0.483 1293 P HA -0.026 nan 4.420 nan 0.000 0.269 1293 P C 0.856 178.104 177.300 -0.086 0.000 1.209 1293 P CA -0.127 62.930 63.100 -0.071 0.000 0.776 1293 P CB 0.995 32.669 31.700 -0.043 0.000 0.876 1294 L N 1.512 122.700 121.223 -0.060 0.000 2.013 1294 L HA -0.234 4.099 4.340 -0.012 0.000 0.212 1294 L C 1.954 178.812 176.870 -0.020 0.000 1.073 1294 L CA 1.894 56.709 54.840 -0.043 0.000 0.753 1294 L CB -0.553 41.496 42.059 -0.016 0.000 0.890 1294 L HN 0.380 nan 8.230 nan 0.000 0.432 1295 D N -0.298 120.097 120.400 -0.008 0.000 2.149 1295 D HA -0.194 4.438 4.640 -0.012 0.000 0.198 1295 D C 1.673 177.986 176.300 0.021 0.000 0.990 1295 D CA 1.338 55.345 54.000 0.013 0.000 0.839 1295 D CB -0.233 40.575 40.800 0.012 0.000 0.948 1295 D HN 0.415 nan 8.370 nan 0.000 0.460 1296 D N 0.519 120.918 120.400 -0.001 0.000 2.194 1296 D HA -0.067 4.566 4.640 -0.012 0.000 0.204 1296 D C 2.119 178.435 176.300 0.026 0.000 0.964 1296 D CA 0.475 54.484 54.000 0.016 0.000 0.846 1296 D CB -0.174 40.623 40.800 -0.006 0.000 0.962 1296 D HN 0.321 nan 8.370 nan 0.000 0.490 1297 Q N 0.209 119.975 119.800 -0.057 0.000 2.084 1297 Q HA -0.081 4.251 4.340 -0.012 0.000 0.202 1297 Q C 2.293 178.419 176.000 0.210 0.000 0.978 1297 Q CA 0.789 56.560 55.803 -0.054 0.000 0.844 1297 Q CB 0.118 28.716 28.738 -0.233 0.000 0.898 1297 Q HN 0.143 nan 8.270 nan 0.000 0.426 1298 V N 1.029 121.021 119.914 0.130 0.000 2.358 1298 V HA -0.257 3.856 4.120 -0.012 0.000 0.246 1298 V C 2.133 178.318 176.094 0.152 0.000 1.047 1298 V CA 1.512 63.897 62.300 0.142 0.000 1.035 1298 V CB -0.416 31.463 31.823 0.093 0.000 0.658 1298 V HN 0.353 nan 8.190 nan 0.000 0.452 1299 I N -0.395 120.254 120.570 0.131 0.000 2.163 1299 I HA -0.281 3.882 4.170 -0.012 0.000 0.243 1299 I C 2.348 178.566 176.117 0.168 0.000 1.085 1299 I CA 1.681 63.061 61.300 0.132 0.000 1.347 1299 I CB -0.359 37.704 38.000 0.104 0.000 1.044 1299 I HN 0.265 nan 8.210 nan 0.000 0.408 1300 L N 0.101 121.448 121.223 0.207 0.000 2.083 1300 L HA -0.227 4.106 4.340 -0.012 0.000 0.209 1300 L C 2.514 179.523 176.870 0.231 0.000 1.083 1300 L CA 1.348 56.334 54.840 0.243 0.000 0.752 1300 L CB -0.486 41.792 42.059 0.365 0.000 0.899 1300 L HN 0.299 nan 8.230 nan 0.000 0.433 1301 L N -0.798 120.578 121.223 0.256 0.000 2.109 1301 L HA -0.111 4.222 4.340 -0.012 0.000 0.207 1301 L C 2.764 179.799 176.870 0.275 0.000 1.086 1301 L CA 0.939 55.913 54.840 0.223 0.000 0.760 1301 L CB -0.337 41.844 42.059 0.204 0.000 0.910 1301 L HN 0.191 nan 8.230 nan 0.000 0.437 1302 R N -0.187 120.464 120.500 0.252 0.000 2.148 1302 R HA -0.036 4.297 4.340 -0.012 0.000 0.223 1302 R C 2.281 178.815 176.300 0.391 0.000 1.088 1302 R CA 1.045 57.346 56.100 0.335 0.000 0.985 1302 R CB -0.263 30.160 30.300 0.206 0.000 0.880 1302 R HN 0.305 nan 8.270 nan 0.000 0.451 1303 A N 0.427 123.385 122.820 0.230 0.000 1.930 1303 A HA 0.043 4.356 4.320 -0.012 0.000 0.215 1303 A C 2.023 179.627 177.584 0.034 0.000 1.176 1303 A CA 1.368 53.478 52.037 0.122 0.000 0.632 1303 A CB -0.199 18.864 19.000 0.105 0.000 0.819 1303 A HN 0.402 nan 8.150 nan 0.000 0.445 1304 G N -1.298 107.543 108.800 0.070 0.000 3.192 1304 G HA2 0.126 4.078 3.960 -0.012 0.000 0.239 1304 G HA3 0.126 4.078 3.960 -0.012 0.000 0.239 1304 G C 1.166 176.033 174.900 -0.055 0.000 1.084 1304 G CA 0.445 45.529 45.100 -0.026 0.000 0.784 1304 G HN 0.705 nan 8.290 nan 0.000 0.540 1305 W N 1.102 122.355 121.300 -0.078 0.000 2.321 1305 W HA -0.151 4.504 4.660 -0.008 0.000 0.306 1305 W C 1.329 177.767 176.519 -0.135 0.000 1.217 1305 W CA 0.800 58.072 57.345 -0.122 0.000 1.257 1305 W CB -0.880 28.492 29.460 -0.147 0.000 1.145 1305 W HN 0.093 nan 8.180 nan 0.000 0.509 1306 N N 1.380 119.557 118.700 -0.873 0.000 2.058 1306 N HA -0.190 4.543 4.740 -0.012 0.000 0.191 1306 N C 1.689 176.973 175.510 -0.377 0.000 1.037 1306 N CA 2.279 54.872 53.050 -0.762 0.000 0.848 1306 N CB -0.509 37.407 38.487 -0.952 0.000 1.021 1306 N HN 0.395 nan 8.380 nan 0.000 0.422 1307 E N 0.723 120.721 120.200 -0.335 0.000 2.077 1307 E HA -0.095 4.248 4.350 -0.012 0.000 0.193 1307 E C 2.222 178.674 176.600 -0.246 0.000 0.989 1307 E CA 0.619 56.866 56.400 -0.255 0.000 0.800 1307 E CB -0.085 29.493 29.700 -0.205 0.000 0.746 1307 E HN 0.287 nan 8.360 nan 0.000 0.452 1308 L N 0.588 121.678 121.223 -0.222 0.000 2.046 1308 L HA -0.218 4.115 4.340 -0.012 0.000 0.208 1308 L C 2.422 179.116 176.870 -0.294 0.000 1.077 1308 L CA 1.011 55.683 54.840 -0.280 0.000 0.747 1308 L CB -0.375 41.531 42.059 -0.256 0.000 0.896 1308 L HN 0.189 nan 8.230 nan 0.000 0.432 1309 L N -0.702 120.414 121.223 -0.178 0.000 2.072 1309 L HA -0.187 4.146 4.340 -0.012 0.000 0.205 1309 L C 2.489 179.265 176.870 -0.158 0.000 1.079 1309 L CA 1.167 55.951 54.840 -0.092 0.000 0.752 1309 L CB -0.378 41.721 42.059 0.068 0.000 0.906 1309 L HN 0.218 nan 8.230 nan 0.000 0.436 1310 I N 0.189 120.592 120.570 -0.278 0.000 2.226 1310 I HA -0.285 3.878 4.170 -0.012 0.000 0.245 1310 I C 2.835 178.443 176.117 -0.849 0.000 1.100 1310 I CA 1.168 62.038 61.300 -0.716 0.000 1.374 1310 I CB -0.423 37.318 38.000 -0.432 0.000 1.057 1310 I HN 0.199 nan 8.210 nan 0.000 0.413 1311 A N -0.277 122.251 122.820 -0.488 0.000 1.902 1311 A HA -0.254 4.059 4.320 -0.012 0.000 0.217 1311 A C 2.494 179.864 177.584 -0.356 0.000 1.181 1311 A CA 2.307 54.112 52.037 -0.387 0.000 0.623 1311 A CB -0.829 17.994 19.000 -0.295 0.000 0.818 1311 A HN 0.400 nan 8.150 nan 0.000 0.443 1312 S N -0.579 114.917 115.700 -0.340 0.000 2.356 1312 S HA -0.148 4.315 4.470 -0.012 0.000 0.223 1312 S C 1.790 176.324 174.600 -0.109 0.000 1.032 1312 S CA 1.846 59.912 58.200 -0.222 0.000 1.005 1312 S CB -0.580 62.486 63.200 -0.222 0.000 0.867 1312 S HN 0.839 nan 8.310 nan 0.000 0.449 1313 F N 1.270 121.164 119.950 -0.093 0.000 2.325 1313 F HA 0.285 4.805 4.527 -0.011 0.000 0.299 1313 F C 2.140 177.892 175.800 -0.081 0.000 1.090 1313 F CA 0.884 58.837 58.000 -0.078 0.000 1.392 1313 F CB -1.148 37.803 39.000 -0.081 0.000 1.053 1313 F HN 0.076 nan 8.300 nan 0.000 0.521 1314 S N -0.034 115.380 115.700 -0.478 0.000 2.355 1314 S HA -0.217 4.246 4.470 -0.012 0.000 0.222 1314 S C 2.053 176.588 174.600 -0.108 0.000 1.031 1314 S CA 1.297 59.324 58.200 -0.288 0.000 0.993 1314 S CB -0.844 62.091 63.200 -0.443 0.000 0.859 1314 S HN 0.631 nan 8.310 nan 0.000 0.453 1315 H N 1.466 120.436 119.070 -0.168 0.000 2.387 1315 H HA 0.052 4.600 4.556 -0.013 0.000 0.299 1315 H C 2.378 177.677 175.328 -0.048 0.000 1.090 1315 H CA 1.335 57.323 56.048 -0.099 0.000 1.332 1315 H CB -0.088 29.612 29.762 -0.104 0.000 1.386 1315 H HN 0.240 nan 8.280 nan 0.000 0.516 1316 R N 0.266 120.802 120.500 0.060 0.000 2.189 1316 R HA -0.040 4.293 4.340 -0.012 0.000 0.223 1316 R C 1.375 177.673 176.300 -0.002 0.000 1.092 1316 R CA 1.195 57.322 56.100 0.046 0.000 0.989 1316 R CB 0.157 30.500 30.300 0.070 0.000 0.876 1316 R HN 0.130 nan 8.270 nan 0.000 0.457 1317 S N 0.395 116.092 115.700 -0.004 0.000 2.605 1317 S HA 0.139 4.602 4.470 -0.012 0.000 0.217 1317 S C 1.448 176.024 174.600 -0.040 0.000 0.958 1317 S CA -0.192 58.008 58.200 -0.000 0.000 0.919 1317 S CB 0.115 63.340 63.200 0.041 0.000 0.780 1317 S HN 0.285 nan 8.310 nan 0.000 0.507 1318 I N 1.624 122.128 120.570 -0.109 0.000 2.315 1318 I HA -0.239 3.923 4.170 -0.012 0.000 0.251 1318 I C 2.360 178.438 176.117 -0.064 0.000 1.125 1318 I CA 1.244 62.468 61.300 -0.127 0.000 1.392 1318 I CB -0.227 37.629 38.000 -0.240 0.000 1.065 1318 I HN 0.338 nan 8.210 nan 0.000 0.424 1319 A N 0.038 122.837 122.820 -0.034 0.000 2.275 1319 A HA 0.228 4.541 4.320 -0.012 0.000 0.212 1319 A C 0.846 178.451 177.584 0.035 0.000 1.201 1319 A CA -0.006 52.032 52.037 0.001 0.000 0.843 1319 A CB -0.144 18.864 19.000 0.013 0.000 0.873 1319 A HN 0.114 nan 8.150 nan 0.000 0.492 1320 V N 1.139 121.081 119.914 0.046 0.000 2.546 1320 V HA 0.151 4.263 4.120 -0.012 0.000 0.284 1320 V C 0.106 176.238 176.094 0.064 0.000 1.050 1320 V CA -0.485 61.868 62.300 0.089 0.000 0.981 1320 V CB 1.250 33.146 31.823 0.121 0.000 0.990 1320 V HN 0.331 nan 8.190 nan 0.000 0.474 1321 K N 3.111 123.561 120.400 0.083 0.000 2.248 1321 K HA 0.274 4.587 4.320 -0.012 0.000 0.281 1321 K C -0.375 176.262 176.600 0.061 0.000 1.054 1321 K CA -0.412 55.917 56.287 0.070 0.000 0.903 1321 K CB 0.467 33.017 32.500 0.083 0.000 1.077 1321 K HN 0.700 nan 8.250 nan 0.000 0.474 1322 D N 1.363 121.765 120.400 0.004 0.000 2.708 1322 D HA -0.177 4.455 4.640 -0.012 0.000 0.236 1322 D C 0.086 176.284 176.300 -0.171 0.000 1.146 1322 D CA 1.729 55.671 54.000 -0.098 0.000 0.662 1322 D CB -0.829 39.873 40.800 -0.162 0.000 1.059 1322 D HN 0.929 nan 8.370 nan 0.000 0.428 1323 G N -1.257 107.553 108.800 0.018 0.000 2.430 1323 G HA2 0.583 4.536 3.960 -0.012 0.000 0.300 1323 G HA3 0.583 4.536 3.960 -0.012 0.000 0.300 1323 G C -1.025 173.950 174.900 0.125 0.000 1.330 1323 G CA -0.383 44.814 45.100 0.161 0.000 0.813 1323 G HN 0.432 nan 8.290 nan 0.000 0.487 1324 I N -2.197 118.480 120.570 0.179 0.000 2.892 1324 I HA 0.881 5.043 4.170 -0.012 0.000 0.306 1324 I C -1.379 174.745 176.117 0.010 0.000 1.078 1324 I CA -1.379 59.959 61.300 0.063 0.000 1.032 1324 I CB 2.331 40.308 38.000 -0.038 0.000 1.229 1324 I HN 0.538 nan 8.210 nan 0.000 0.435 1325 L N 5.534 126.723 121.223 -0.056 0.000 2.280 1325 L HA 0.553 4.886 4.340 -0.012 0.000 0.287 1325 L C -0.764 176.019 176.870 -0.146 0.000 1.023 1325 L CA -0.312 54.396 54.840 -0.219 0.000 0.819 1325 L CB 0.966 42.892 42.059 -0.222 0.000 1.212 1325 L HN 0.610 nan 8.230 nan 0.000 0.420 1326 L N 4.567 125.689 121.223 -0.168 0.000 2.453 1326 L HA 0.368 4.701 4.340 -0.012 0.000 0.261 1326 L C 1.634 178.460 176.870 -0.074 0.000 1.179 1326 L CA -0.084 54.684 54.840 -0.119 0.000 0.813 1326 L CB 0.812 42.809 42.059 -0.104 0.000 1.110 1326 L HN 0.824 nan 8.230 nan 0.000 0.466 1327 A N 0.476 123.277 122.820 -0.032 0.000 2.172 1327 A HA -0.113 4.200 4.320 -0.012 0.000 0.216 1327 A C 1.849 179.430 177.584 -0.005 0.000 1.154 1327 A CA 1.631 53.666 52.037 -0.004 0.000 0.701 1327 A CB -0.814 18.200 19.000 0.023 0.000 0.789 1327 A HN 0.903 nan 8.150 nan 0.000 0.465 1328 T N -4.859 109.686 114.554 -0.015 0.000 3.129 1328 T HA 0.402 4.744 4.350 -0.012 0.000 0.251 1328 T C 1.429 176.124 174.700 -0.008 0.000 1.117 1328 T CA 1.046 63.143 62.100 -0.005 0.000 1.034 1328 T CB 0.179 69.046 68.868 -0.003 0.000 0.968 1328 T HN 1.534 nan 8.240 nan 0.000 0.526 1329 G N 0.943 109.725 108.800 -0.030 0.000 2.213 1329 G HA2 -0.176 3.777 3.960 -0.012 0.000 0.236 1329 G HA3 -0.176 3.777 3.960 -0.012 0.000 0.236 1329 G C -0.078 174.808 174.900 -0.024 0.000 0.991 1329 G CA -0.130 44.956 45.100 -0.025 0.000 0.629 1329 G HN 0.479 nan 8.290 nan 0.000 0.517 1330 L N 1.441 122.650 121.223 -0.024 0.000 2.397 1330 L HA 0.504 4.837 4.340 -0.012 0.000 0.271 1330 L C 0.547 177.394 176.870 -0.039 0.000 1.148 1330 L CA -0.054 54.803 54.840 0.028 0.000 0.825 1330 L CB 0.351 42.420 42.059 0.018 0.000 1.117 1330 L HN 0.226 nan 8.230 nan 0.000 0.456 1331 H N 0.900 119.987 119.070 0.028 0.000 2.458 1331 H HA 0.542 5.091 4.556 -0.012 0.000 0.330 1331 H C -0.504 174.859 175.328 0.059 0.000 1.111 1331 H CA -0.472 55.606 56.048 0.050 0.000 1.245 1331 H CB 1.756 31.555 29.762 0.061 0.000 1.456 1331 H HN 0.230 nan 8.280 nan 0.000 0.488 1332 V N 4.141 124.161 119.914 0.177 0.000 2.378 1332 V HA 0.104 4.217 4.120 -0.012 0.000 0.288 1332 V C -0.002 176.211 176.094 0.198 0.000 1.016 1332 V CA -0.731 61.649 62.300 0.134 0.000 0.840 1332 V CB 0.925 32.799 31.823 0.085 0.000 0.994 1332 V HN 0.784 nan 8.190 nan 0.000 0.431 1333 H N 4.441 123.534 119.070 0.038 0.000 2.505 1333 H HA 0.310 4.859 4.556 -0.011 0.000 0.351 1333 H C 1.254 176.531 175.328 -0.086 0.000 1.151 1333 H CA -0.215 55.866 56.048 0.055 0.000 1.339 1333 H CB 1.429 31.213 29.762 0.036 0.000 1.483 1333 H HN 0.660 nan 8.280 nan 0.000 0.558 1334 R N 2.443 122.745 120.500 -0.330 0.000 2.113 1334 R HA -0.199 4.134 4.340 -0.012 0.000 0.244 1334 R C 1.299 177.637 176.300 0.065 0.000 1.142 1334 R CA 2.052 58.088 56.100 -0.106 0.000 0.953 1334 R CB 0.011 30.301 30.300 -0.017 0.000 0.860 1334 R HN 0.636 nan 8.270 nan 0.000 0.438 1335 N N 0.064 118.941 118.700 0.296 0.000 2.166 1335 N HA -0.116 4.617 4.740 -0.012 0.000 0.186 1335 N C 1.771 177.331 175.510 0.083 0.000 1.019 1335 N CA 1.732 54.907 53.050 0.207 0.000 0.856 1335 N CB -0.329 38.270 38.487 0.188 0.000 0.993 1335 N HN 0.190 nan 8.380 nan 0.000 0.426 1336 S N 0.913 116.627 115.700 0.024 0.000 2.368 1336 S HA -0.015 4.448 4.470 -0.012 0.000 0.224 1336 S C 2.137 176.638 174.600 -0.166 0.000 1.029 1336 S CA 0.992 59.155 58.200 -0.062 0.000 0.988 1336 S CB -0.263 62.900 63.200 -0.062 0.000 0.838 1336 S HN 0.501 nan 8.310 nan 0.000 0.462 1337 A N 1.838 124.430 122.820 -0.380 0.000 1.877 1337 A HA -0.171 4.142 4.320 -0.012 0.000 0.216 1337 A C 1.928 179.336 177.584 -0.292 0.000 1.186 1337 A CA 1.370 53.083 52.037 -0.540 0.000 0.620 1337 A CB -0.918 17.291 19.000 -1.319 0.000 0.822 1337 A HN 0.524 nan 8.150 nan 0.000 0.443 1338 H N 0.475 119.448 119.070 -0.163 0.000 2.353 1338 H HA -0.110 4.438 4.556 -0.012 0.000 0.300 1338 H C 2.694 178.003 175.328 -0.032 0.000 1.090 1338 H CA 1.992 58.008 56.048 -0.054 0.000 1.327 1338 H CB -0.280 29.467 29.762 -0.024 0.000 1.383 1338 H HN 0.684 nan 8.280 nan 0.000 0.508 1339 S N 0.400 116.142 115.700 0.070 0.000 2.474 1339 S HA 0.010 4.472 4.470 -0.012 0.000 0.235 1339 S C 2.152 176.757 174.600 0.008 0.000 0.997 1339 S CA 0.672 58.893 58.200 0.035 0.000 0.949 1339 S CB -0.080 63.129 63.200 0.014 0.000 0.766 1339 S HN 0.407 nan 8.310 nan 0.000 0.517 1340 A N 0.620 123.427 122.820 -0.022 0.000 2.218 1340 A HA 0.590 4.903 4.320 -0.012 0.000 0.209 1340 A C 1.726 179.320 177.584 0.016 0.000 1.168 1340 A CA 0.482 52.502 52.037 -0.028 0.000 0.804 1340 A CB -0.880 18.077 19.000 -0.071 0.000 0.834 1340 A HN 1.509 nan 8.150 nan 0.000 0.482 1341 G N -1.386 107.434 108.800 0.033 0.000 2.141 1341 G HA2 -0.179 3.773 3.960 -0.012 0.000 0.231 1341 G HA3 -0.179 3.773 3.960 -0.012 0.000 0.231 1341 G C 0.621 175.590 174.900 0.115 0.000 0.984 1341 G CA 0.672 45.822 45.100 0.084 0.000 0.660 1341 G HN 1.638 nan 8.290 nan 0.000 0.525 1342 V N -2.281 117.660 119.914 0.045 0.000 2.988 1342 V HA 0.706 4.819 4.120 -0.012 0.000 0.356 1342 V C 1.838 177.875 176.094 -0.094 0.000 1.380 1342 V CA 1.026 63.368 62.300 0.070 0.000 1.184 1342 V CB 0.038 31.940 31.823 0.133 0.000 1.204 1342 V HN 0.807 nan 8.190 nan 0.000 0.530 1343 G N 1.148 109.765 108.800 -0.305 0.000 2.442 1343 G HA2 -0.146 3.807 3.960 -0.012 0.000 0.219 1343 G HA3 -0.146 3.807 3.960 -0.012 0.000 0.219 1343 G C 1.531 176.219 174.900 -0.353 0.000 1.141 1343 G CA 1.345 45.923 45.100 -0.869 0.000 0.763 1343 G HN 0.865 nan 8.290 nan 0.000 0.554 1344 A N 0.763 123.532 122.820 -0.085 0.000 1.845 1344 A HA 0.008 4.321 4.320 -0.012 0.000 0.215 1344 A C 2.353 179.948 177.584 0.018 0.000 1.195 1344 A CA 1.661 53.715 52.037 0.029 0.000 0.616 1344 A CB -0.465 18.575 19.000 0.065 0.000 0.832 1344 A HN 0.415 nan 8.150 nan 0.000 0.443 1345 I N -1.838 118.725 120.570 -0.011 0.000 2.394 1345 I HA -0.134 4.029 4.170 -0.012 0.000 0.251 1345 I C 2.044 178.146 176.117 -0.025 0.000 1.136 1345 I CA 1.014 62.273 61.300 -0.070 0.000 1.425 1345 I CB -0.466 37.368 38.000 -0.277 0.000 1.079 1345 I HN 0.354 nan 8.210 nan 0.000 0.425 1346 F N 1.327 121.193 119.950 -0.139 0.000 2.102 1346 F HA -0.255 4.265 4.527 -0.011 0.000 0.298 1346 F C 2.191 177.956 175.800 -0.059 0.000 1.105 1346 F CA 2.065 60.004 58.000 -0.103 0.000 1.239 1346 F CB -0.370 38.541 39.000 -0.149 0.000 0.991 1346 F HN 0.125 nan 8.300 nan 0.000 0.474 1347 D N -0.346 120.133 120.400 0.131 0.000 2.178 1347 D HA -0.120 4.513 4.640 -0.012 0.000 0.201 1347 D C 2.396 178.693 176.300 -0.004 0.000 0.980 1347 D CA 0.914 54.968 54.000 0.091 0.000 0.842 1347 D CB -0.245 40.646 40.800 0.152 0.000 0.948 1347 D HN 0.300 nan 8.370 nan 0.000 0.472 1348 R N 0.151 120.636 120.500 -0.025 0.000 2.075 1348 R HA -0.057 4.276 4.340 -0.012 0.000 0.232 1348 R C 2.321 178.565 176.300 -0.093 0.000 1.126 1348 R CA 0.628 56.698 56.100 -0.051 0.000 0.963 1348 R CB -0.371 29.898 30.300 -0.052 0.000 0.858 1348 R HN 0.100 nan 8.270 nan 0.000 0.435 1349 V N 1.702 121.535 119.914 -0.135 0.000 2.343 1349 V HA -0.236 3.876 4.120 -0.012 0.000 0.247 1349 V C 2.340 178.328 176.094 -0.177 0.000 1.051 1349 V CA 1.663 63.859 62.300 -0.173 0.000 1.036 1349 V CB -0.404 31.303 31.823 -0.193 0.000 0.654 1349 V HN 0.284 nan 8.190 nan 0.000 0.451 1350 L N -0.487 120.619 121.223 -0.195 0.000 2.056 1350 L HA -0.148 4.184 4.340 -0.012 0.000 0.207 1350 L C 2.558 179.376 176.870 -0.087 0.000 1.078 1350 L CA 1.975 56.729 54.840 -0.144 0.000 0.749 1350 L CB -0.978 41.015 42.059 -0.110 0.000 0.901 1350 L HN 0.356 nan 8.230 nan 0.000 0.433 1351 T N -1.112 113.402 114.554 -0.066 0.000 2.894 1351 T HA -0.093 4.249 4.350 -0.012 0.000 0.258 1351 T C 1.686 176.351 174.700 -0.059 0.000 1.043 1351 T CA 1.012 63.084 62.100 -0.048 0.000 1.141 1351 T CB -0.015 68.837 68.868 -0.026 0.000 0.873 1351 T HN 0.350 nan 8.240 nan 0.000 0.449 1352 E N 0.141 120.298 120.200 -0.072 0.000 2.318 1352 E HA 0.200 4.543 4.350 -0.012 0.000 0.193 1352 E C 1.610 178.153 176.600 -0.094 0.000 0.998 1352 E CA 0.391 56.745 56.400 -0.077 0.000 0.859 1352 E CB 0.218 29.872 29.700 -0.078 0.000 0.812 1352 E HN 0.386 nan 8.360 nan 0.000 0.492 1353 L N -0.873 120.282 121.223 -0.114 0.000 2.919 1353 L HA 0.059 4.391 4.340 -0.012 0.000 0.169 1353 L C 2.177 178.975 176.870 -0.121 0.000 1.228 1353 L CA 0.076 54.837 54.840 -0.132 0.000 0.862 1353 L CB -0.453 41.493 42.059 -0.187 0.000 1.313 1353 L HN -0.088 nan 8.230 nan 0.000 0.526 1354 V N 0.118 119.954 119.914 -0.130 0.000 2.252 1354 V HA -0.309 3.803 4.120 -0.012 0.000 0.249 1354 V C 2.603 178.643 176.094 -0.090 0.000 1.056 1354 V CA 2.427 64.660 62.300 -0.112 0.000 1.022 1354 V CB -0.720 31.041 31.823 -0.102 0.000 0.641 1354 V HN 0.373 nan 8.190 nan 0.000 0.445 1355 S N -0.778 114.876 115.700 -0.076 0.000 2.382 1355 S HA -0.153 4.310 4.470 -0.012 0.000 0.228 1355 S C 1.993 176.558 174.600 -0.058 0.000 1.027 1355 S CA 1.092 59.257 58.200 -0.059 0.000 0.991 1355 S CB -0.242 62.930 63.200 -0.047 0.000 0.823 1355 S HN 0.506 nan 8.310 nan 0.000 0.469 1356 K N 1.259 121.621 120.400 -0.064 0.000 2.103 1356 K HA 0.130 4.443 4.320 -0.012 0.000 0.204 1356 K C 1.988 178.553 176.600 -0.058 0.000 1.052 1356 K CA 0.927 57.179 56.287 -0.059 0.000 0.945 1356 K CB -0.489 31.973 32.500 -0.064 0.000 0.722 1356 K HN 0.429 nan 8.250 nan 0.000 0.443 1357 M N 0.139 119.701 119.600 -0.065 0.000 2.175 1357 M HA -0.111 4.362 4.480 -0.012 0.000 0.264 1357 M C 2.426 178.684 176.300 -0.070 0.000 1.063 1357 M CA 1.425 56.693 55.300 -0.054 0.000 1.119 1357 M CB -0.257 32.309 32.600 -0.057 0.000 1.377 1357 M HN 0.058 nan 8.290 nan 0.000 0.415 1358 R N 0.676 121.127 120.500 -0.082 0.000 2.066 1358 R HA -0.149 4.184 4.340 -0.012 0.000 0.232 1358 R C 1.613 177.882 176.300 -0.050 0.000 1.131 1358 R CA 1.756 57.812 56.100 -0.074 0.000 0.955 1358 R CB -0.141 30.119 30.300 -0.067 0.000 0.851 1358 R HN 0.297 nan 8.270 nan 0.000 0.432 1359 D N 0.929 121.302 120.400 -0.046 0.000 2.123 1359 D HA -0.212 4.421 4.640 -0.012 0.000 0.196 1359 D C 1.791 178.066 176.300 -0.042 0.000 0.992 1359 D CA 1.962 55.939 54.000 -0.038 0.000 0.833 1359 D CB -0.162 40.616 40.800 -0.037 0.000 0.954 1359 D HN 0.500 nan 8.370 nan 0.000 0.455 1360 M N -0.712 118.858 119.600 -0.051 0.000 2.494 1360 M HA 0.163 4.636 4.480 -0.012 0.000 0.232 1360 M C -0.369 175.885 176.300 -0.077 0.000 1.137 1360 M CA 0.242 55.501 55.300 -0.069 0.000 1.012 1360 M CB 0.196 32.749 32.600 -0.078 0.000 1.567 1360 M HN -0.240 nan 8.290 nan 0.000 0.486 1361 Q N 1.795 121.568 119.800 -0.045 0.000 2.452 1361 Q HA -0.147 4.186 4.340 -0.012 0.000 0.318 1361 Q C -0.235 175.774 176.000 0.014 0.000 1.386 1361 Q CA 0.663 56.456 55.803 -0.016 0.000 0.872 1361 Q CB -1.651 27.089 28.738 0.003 0.000 1.151 1361 Q HN 0.785 nan 8.270 nan 0.000 0.417 1362 M N 2.124 121.746 119.600 0.035 0.000 2.284 1362 M HA 0.001 4.474 4.480 -0.012 0.000 0.351 1362 M C 0.468 176.936 176.300 0.280 0.000 1.443 1362 M CA 0.516 55.886 55.300 0.116 0.000 1.031 1362 M CB 0.362 33.049 32.600 0.145 0.000 1.893 1362 M HN 0.285 nan 8.290 nan 0.000 0.456 1363 D N 4.174 124.718 120.400 0.240 0.000 2.432 1363 D HA 0.228 4.861 4.640 -0.012 0.000 0.258 1363 D C 0.254 176.599 176.300 0.075 0.000 1.146 1363 D CA -0.484 53.669 54.000 0.254 0.000 1.015 1363 D CB 0.692 41.672 40.800 0.300 0.000 1.107 1363 D HN 0.572 nan 8.370 nan 0.000 0.529 1364 K N -0.843 119.566 120.400 0.015 0.000 2.147 1364 K HA -0.092 4.220 4.320 -0.012 0.000 0.205 1364 K C 1.800 178.321 176.600 -0.132 0.000 1.049 1364 K CA 1.375 57.570 56.287 -0.153 0.000 0.936 1364 K CB -0.259 32.211 32.500 -0.050 0.000 0.722 1364 K HN 0.442 nan 8.250 nan 0.000 0.446 1365 T N 1.297 115.792 114.554 -0.100 0.000 2.737 1365 T HA -0.118 4.225 4.350 -0.012 0.000 0.265 1365 T C 1.567 176.152 174.700 -0.191 0.000 1.038 1365 T CA 1.279 63.241 62.100 -0.229 0.000 1.144 1365 T CB -0.090 68.434 68.868 -0.573 0.000 0.866 1365 T HN 0.316 nan 8.240 nan 0.000 0.434 1366 E N 0.612 120.768 120.200 -0.073 0.000 2.077 1366 E HA -0.090 4.252 4.350 -0.012 0.000 0.193 1366 E C 2.148 178.735 176.600 -0.021 0.000 0.989 1366 E CA 0.791 57.210 56.400 0.032 0.000 0.800 1366 E CB -0.250 29.541 29.700 0.152 0.000 0.746 1366 E HN 0.230 nan 8.360 nan 0.000 0.452 1367 L N 0.754 121.908 121.223 -0.115 0.000 2.046 1367 L HA -0.078 4.255 4.340 -0.012 0.000 0.208 1367 L C 2.182 178.981 176.870 -0.118 0.000 1.077 1367 L CA 2.238 56.966 54.840 -0.186 0.000 0.747 1367 L CB -0.811 40.966 42.059 -0.470 0.000 0.896 1367 L HN 0.104 nan 8.230 nan 0.000 0.432 1368 G N -1.208 107.542 108.800 -0.082 0.000 2.446 1368 G HA2 -0.281 3.671 3.960 -0.012 0.000 0.217 1368 G HA3 -0.281 3.671 3.960 -0.012 0.000 0.217 1368 G C 1.578 176.535 174.900 0.095 0.000 1.168 1368 G CA 1.013 46.139 45.100 0.043 0.000 0.771 1368 G HN 0.545 nan 8.290 nan 0.000 0.551 1369 C N 0.206 119.535 119.300 0.050 0.000 2.429 1369 C HA 0.079 4.532 4.460 -0.012 0.000 0.277 1369 C C 2.923 177.983 174.990 0.118 0.000 1.262 1369 C CA 0.504 59.581 59.018 0.099 0.000 1.733 1369 C CB -1.052 26.752 27.740 0.106 0.000 2.010 1369 C HN 0.429 nan 8.230 nan 0.000 0.483 1370 L N 0.164 121.428 121.223 0.069 0.000 2.056 1370 L HA -0.140 4.193 4.340 -0.012 0.000 0.207 1370 L C 2.870 179.757 176.870 0.029 0.000 1.078 1370 L CA 1.481 56.347 54.840 0.042 0.000 0.749 1370 L CB -0.612 41.440 42.059 -0.012 0.000 0.901 1370 L HN 0.349 nan 8.230 nan 0.000 0.433 1371 R N -0.118 120.389 120.500 0.011 0.000 2.092 1371 R HA -0.103 4.229 4.340 -0.012 0.000 0.231 1371 R C 2.426 178.834 176.300 0.179 0.000 1.119 1371 R CA 1.220 57.314 56.100 -0.009 0.000 0.970 1371 R CB -0.452 29.729 30.300 -0.198 0.000 0.864 1371 R HN 0.333 nan 8.270 nan 0.000 0.440 1372 A N 1.239 124.196 122.820 0.228 0.000 1.933 1372 A HA -0.125 4.188 4.320 -0.012 0.000 0.218 1372 A C 2.124 179.748 177.584 0.066 0.000 1.175 1372 A CA 1.130 53.217 52.037 0.083 0.000 0.628 1372 A CB -0.412 18.646 19.000 0.096 0.000 0.814 1372 A HN 0.174 nan 8.150 nan 0.000 0.444 1373 I N -0.596 120.069 120.570 0.159 0.000 2.252 1373 I HA -0.197 3.966 4.170 -0.012 0.000 0.245 1373 I C 2.318 178.521 176.117 0.144 0.000 1.102 1373 I CA 0.993 62.418 61.300 0.209 0.000 1.385 1373 I CB -0.233 37.886 38.000 0.198 0.000 1.064 1373 I HN 0.150 nan 8.210 nan 0.000 0.414 1374 V N 0.743 120.700 119.914 0.073 0.000 2.343 1374 V HA -0.275 3.838 4.120 -0.012 0.000 0.247 1374 V C 2.373 178.492 176.094 0.043 0.000 1.051 1374 V CA 1.653 63.974 62.300 0.034 0.000 1.036 1374 V CB -0.497 31.310 31.823 -0.026 0.000 0.654 1374 V HN 0.363 nan 8.190 nan 0.000 0.451 1375 L N -0.222 121.007 121.223 0.010 0.000 1.994 1375 L HA -0.048 4.285 4.340 -0.012 0.000 0.208 1375 L C 1.290 178.168 176.870 0.014 0.000 1.071 1375 L CA 1.782 56.589 54.840 -0.055 0.000 0.745 1375 L CB -0.547 41.358 42.059 -0.258 0.000 0.892 1375 L HN 0.286 nan 8.230 nan 0.000 0.431 1376 F N 1.042 121.085 119.950 0.155 0.000 2.659 1376 F HA 0.130 4.648 4.527 -0.014 0.000 0.360 1376 F C 0.542 176.409 175.800 0.113 0.000 1.218 1376 F CA -0.618 57.467 58.000 0.141 0.000 1.317 1376 F CB -0.759 38.311 39.000 0.118 0.000 1.697 1376 F HN 0.166 nan 8.300 nan 0.000 0.637 1377 N N 4.034 122.888 118.700 0.255 0.000 2.469 1377 N HA 0.139 4.871 4.740 -0.012 0.000 0.239 1377 N C -1.522 174.079 175.510 0.150 0.000 1.053 1377 N CA -2.651 50.500 53.050 0.169 0.000 0.937 1377 N CB 0.973 39.529 38.487 0.116 0.000 1.163 1377 N HN 0.048 nan 8.380 nan 0.000 0.509 1378 P HA -0.033 nan 4.420 nan 0.000 0.230 1378 P C -0.149 177.196 177.300 0.074 0.000 1.158 1378 P CA 0.841 63.999 63.100 0.096 0.000 0.769 1378 P CB 0.560 32.309 31.700 0.082 0.000 0.807 1379 D N -0.347 120.096 120.400 0.071 0.000 2.348 1379 D HA 0.015 4.648 4.640 -0.012 0.000 0.211 1379 D C 0.408 176.741 176.300 0.055 0.000 0.998 1379 D CA 0.389 54.422 54.000 0.054 0.000 0.873 1379 D CB -0.109 40.717 40.800 0.044 0.000 0.925 1379 D HN 0.115 nan 8.370 nan 0.000 0.524 1380 S N 1.640 117.382 115.700 0.070 0.000 2.575 1380 S HA -0.010 4.453 4.470 -0.012 0.000 0.295 1380 S C 0.573 175.211 174.600 0.063 0.000 1.267 1380 S CA 0.121 58.364 58.200 0.072 0.000 1.074 1380 S CB 0.790 64.047 63.200 0.096 0.000 0.829 1380 S HN 0.076 nan 8.310 nan 0.000 0.497 1381 K N 1.737 122.171 120.400 0.057 0.000 2.401 1381 K HA 0.334 4.647 4.320 -0.012 0.000 0.278 1381 K C 1.329 177.960 176.600 0.052 0.000 1.018 1381 K CA 0.511 56.828 56.287 0.050 0.000 0.981 1381 K CB 0.414 32.942 32.500 0.046 0.000 0.933 1381 K HN 0.923 nan 8.250 nan 0.000 0.477 1382 G N 1.504 110.330 108.800 0.044 0.000 2.194 1382 G HA2 -0.224 3.729 3.960 -0.012 0.000 0.236 1382 G HA3 -0.224 3.729 3.960 -0.012 0.000 0.236 1382 G C -0.150 174.774 174.900 0.040 0.000 0.987 1382 G CA -0.553 44.572 45.100 0.041 0.000 0.635 1382 G HN 0.400 nan 8.290 nan 0.000 0.520 1383 L N 2.290 123.539 121.223 0.044 0.000 2.540 1383 L HA 0.374 4.707 4.340 -0.012 0.000 0.276 1383 L C 2.098 178.984 176.870 0.026 0.000 1.212 1383 L CA 1.289 56.154 54.840 0.041 0.000 0.893 1383 L CB 1.199 43.287 42.059 0.049 0.000 1.138 1383 L HN 0.531 nan 8.230 nan 0.000 0.491 1384 S N 2.096 117.807 115.700 0.018 0.000 2.436 1384 S HA -0.004 4.458 4.470 -0.012 0.000 0.228 1384 S C 0.889 175.491 174.600 0.004 0.000 1.014 1384 S CA 0.603 58.808 58.200 0.009 0.000 0.950 1384 S CB -0.112 63.090 63.200 0.003 0.000 0.784 1384 S HN 0.675 nan 8.310 nan 0.000 0.504 1385 N N 1.605 120.307 118.700 0.002 0.000 2.726 1385 N HA 0.354 5.087 4.740 -0.012 0.000 0.253 1385 N C -2.263 173.247 175.510 -0.001 0.000 1.530 1385 N CA -2.052 50.995 53.050 -0.005 0.000 0.772 1385 N CB 1.441 39.917 38.487 -0.018 0.000 1.220 1385 N HN 0.037 nan 8.380 nan 0.000 0.508 1386 P HA -0.133 nan 4.420 nan 0.000 0.218 1386 P C 1.053 178.356 177.300 0.005 0.000 1.148 1386 P CA 0.848 63.959 63.100 0.019 0.000 0.822 1386 P CB 0.369 32.084 31.700 0.025 0.000 0.784 1387 A N 0.516 123.331 122.820 -0.008 0.000 1.933 1387 A HA -0.212 4.100 4.320 -0.012 0.000 0.218 1387 A C 2.387 179.942 177.584 -0.049 0.000 1.175 1387 A CA 2.053 54.077 52.037 -0.022 0.000 0.628 1387 A CB -1.235 17.751 19.000 -0.022 0.000 0.814 1387 A HN 0.174 nan 8.150 nan 0.000 0.444 1388 E N 0.014 120.179 120.200 -0.058 0.000 2.072 1388 E HA -0.101 4.241 4.350 -0.012 0.000 0.191 1388 E C 1.773 178.290 176.600 -0.139 0.000 0.985 1388 E CA 1.577 57.917 56.400 -0.099 0.000 0.801 1388 E CB -0.426 29.223 29.700 -0.085 0.000 0.750 1388 E HN 0.244 nan 8.360 nan 0.000 0.452 1389 V N 0.925 120.791 119.914 -0.080 0.000 2.427 1389 V HA -0.195 3.918 4.120 -0.012 0.000 0.248 1389 V C 2.438 178.492 176.094 -0.067 0.000 1.051 1389 V CA 2.078 64.341 62.300 -0.062 0.000 1.048 1389 V CB -0.556 31.312 31.823 0.076 0.000 0.666 1389 V HN 0.387 nan 8.190 nan 0.000 0.456 1390 E N 0.405 120.586 120.200 -0.031 0.000 2.077 1390 E HA -0.229 4.114 4.350 -0.012 0.000 0.193 1390 E C 2.250 178.803 176.600 -0.078 0.000 0.989 1390 E CA 1.379 57.774 56.400 -0.008 0.000 0.800 1390 E CB -0.218 29.487 29.700 0.008 0.000 0.746 1390 E HN 0.562 nan 8.360 nan 0.000 0.452 1391 A N 0.965 123.707 122.820 -0.129 0.000 1.902 1391 A HA -0.152 4.161 4.320 -0.012 0.000 0.217 1391 A C 2.192 179.613 177.584 -0.272 0.000 1.181 1391 A CA 1.126 53.055 52.037 -0.180 0.000 0.623 1391 A CB -0.616 18.280 19.000 -0.173 0.000 0.818 1391 A HN 0.308 nan 8.150 nan 0.000 0.443 1392 L N -1.092 119.902 121.223 -0.382 0.000 2.056 1392 L HA -0.166 4.167 4.340 -0.012 0.000 0.207 1392 L C 2.792 179.438 176.870 -0.374 0.000 1.078 1392 L CA 1.707 56.187 54.840 -0.600 0.000 0.749 1392 L CB -0.462 40.814 42.059 -1.305 0.000 0.901 1392 L HN 0.509 nan 8.230 nan 0.000 0.433 1393 R N 0.717 121.111 120.500 -0.177 0.000 2.073 1393 R HA -0.195 4.138 4.340 -0.012 0.000 0.234 1393 R C 2.047 178.235 176.300 -0.187 0.000 1.134 1393 R CA 1.757 57.904 56.100 0.078 0.000 0.952 1393 R CB -0.148 30.274 30.300 0.203 0.000 0.850 1393 R HN 0.405 nan 8.270 nan 0.000 0.433 1394 E N 0.370 120.319 120.200 -0.418 0.000 2.110 1394 E HA -0.200 4.143 4.350 -0.012 0.000 0.193 1394 E C 2.002 178.139 176.600 -0.771 0.000 0.988 1394 E CA 1.390 57.177 56.400 -1.021 0.000 0.804 1394 E CB 0.018 29.426 29.700 -0.486 0.000 0.745 1394 E HN 0.399 nan 8.360 nan 0.000 0.458 1395 K N 0.467 120.639 120.400 -0.379 0.000 2.097 1395 K HA -0.089 4.224 4.320 -0.012 0.000 0.205 1395 K C 2.159 178.689 176.600 -0.118 0.000 1.050 1395 K CA 0.908 57.062 56.287 -0.222 0.000 0.938 1395 K CB 0.058 32.449 32.500 -0.182 0.000 0.718 1395 K HN -0.026 nan 8.250 nan 0.000 0.442 1396 V N 1.115 120.997 119.914 -0.053 0.000 2.307 1396 V HA -0.251 3.862 4.120 -0.012 0.000 0.245 1396 V C 2.158 178.359 176.094 0.178 0.000 1.045 1396 V CA 1.715 64.079 62.300 0.107 0.000 1.024 1396 V CB -0.656 31.308 31.823 0.235 0.000 0.651 1396 V HN 0.347 nan 8.190 nan 0.000 0.449 1397 Y N 0.827 121.238 120.300 0.186 0.000 2.516 1397 Y HA 0.328 4.873 4.550 -0.008 0.000 0.291 1397 Y C 2.232 178.221 175.900 0.148 0.000 1.131 1397 Y CA 0.530 58.798 58.100 0.281 0.000 1.281 1397 Y CB -1.176 37.509 38.460 0.375 0.000 1.013 1397 Y HN 0.066 nan 8.280 nan 0.000 0.554 1398 A N 0.567 123.458 122.820 0.119 0.000 1.872 1398 A HA -0.107 4.205 4.320 -0.012 0.000 0.214 1398 A C 2.384 179.972 177.584 0.006 0.000 1.187 1398 A CA 1.682 53.743 52.037 0.040 0.000 0.614 1398 A CB -1.107 17.863 19.000 -0.051 0.000 0.826 1398 A HN 0.449 nan 8.150 nan 0.000 0.442 1399 S N -0.420 115.301 115.700 0.035 0.000 2.383 1399 S HA -0.117 4.346 4.470 -0.012 0.000 0.227 1399 S C 1.845 176.504 174.600 0.099 0.000 1.026 1399 S CA 1.360 59.595 58.200 0.057 0.000 0.981 1399 S CB -0.373 62.864 63.200 0.061 0.000 0.818 1399 S HN 0.474 nan 8.310 nan 0.000 0.472 1400 L N 2.104 123.409 121.223 0.136 0.000 2.056 1400 L HA -0.021 4.312 4.340 -0.012 0.000 0.207 1400 L C 2.254 179.170 176.870 0.076 0.000 1.078 1400 L CA 1.916 56.881 54.840 0.210 0.000 0.749 1400 L CB -0.691 41.594 42.059 0.376 0.000 0.901 1400 L HN 0.327 nan 8.230 nan 0.000 0.433 1401 E N -0.582 119.401 120.200 -0.362 0.000 2.077 1401 E HA -0.223 4.120 4.350 -0.012 0.000 0.193 1401 E C 2.076 178.534 176.600 -0.236 0.000 0.989 1401 E CA 1.140 57.070 56.400 -0.783 0.000 0.800 1401 E CB -0.180 28.777 29.700 -1.238 0.000 0.746 1401 E HN 0.597 nan 8.360 nan 0.000 0.452 1402 A N 0.380 123.142 122.820 -0.098 0.000 1.902 1402 A HA -0.210 4.103 4.320 -0.012 0.000 0.217 1402 A C 2.078 179.718 177.584 0.092 0.000 1.181 1402 A CA 1.530 53.564 52.037 -0.006 0.000 0.623 1402 A CB -1.017 17.991 19.000 0.014 0.000 0.818 1402 A HN 0.610 nan 8.150 nan 0.000 0.443 1403 Y N 0.278 120.603 120.300 0.041 0.000 2.128 1403 Y HA -0.298 4.245 4.550 -0.013 0.000 0.284 1403 Y C 2.537 178.509 175.900 0.121 0.000 1.154 1403 Y CA 1.653 59.809 58.100 0.094 0.000 1.149 1403 Y CB -0.797 37.720 38.460 0.095 0.000 0.976 1403 Y HN 0.378 nan 8.280 nan 0.000 0.505 1404 C N 0.896 120.268 119.300 0.121 0.000 2.429 1404 C HA -0.147 4.305 4.460 -0.012 0.000 0.277 1404 C C 2.544 177.575 174.990 0.068 0.000 1.262 1404 C CA 1.466 60.567 59.018 0.140 0.000 1.733 1404 C CB -0.981 26.907 27.740 0.247 0.000 2.010 1404 C HN 0.527 nan 8.230 nan 0.000 0.483 1405 K N -0.637 119.783 120.400 0.033 0.000 2.211 1405 K HA -0.142 4.170 4.320 -0.012 0.000 0.203 1405 K C 1.868 178.491 176.600 0.039 0.000 1.050 1405 K CA 1.015 57.320 56.287 0.029 0.000 0.945 1405 K CB -0.269 32.231 32.500 -0.001 0.000 0.732 1405 K HN 0.729 nan 8.250 nan 0.000 0.451 1406 H N 0.314 119.305 119.070 -0.132 0.000 2.370 1406 H HA -0.004 4.545 4.556 -0.012 0.000 0.304 1406 H C 2.038 177.202 175.328 -0.273 0.000 1.055 1406 H CA 0.912 56.862 56.048 -0.164 0.000 1.373 1406 H CB 0.509 30.186 29.762 -0.141 0.000 1.423 1406 H HN -0.130 nan 8.280 nan 0.000 0.533 1407 K N 0.329 120.435 120.400 -0.491 0.000 2.116 1407 K HA -0.073 4.240 4.320 -0.012 0.000 0.203 1407 K C -0.309 175.772 176.600 -0.865 0.000 1.052 1407 K CA 1.118 56.889 56.287 -0.860 0.000 0.952 1407 K CB 0.133 31.820 32.500 -1.356 0.000 0.729 1407 K HN 0.320 nan 8.250 nan 0.000 0.446 1408 Y N 0.366 120.567 120.300 -0.165 0.000 2.495 1408 Y HA 0.288 4.832 4.550 -0.011 0.000 0.362 1408 Y C -1.963 173.915 175.900 -0.037 0.000 0.956 1408 Y CA -2.064 55.989 58.100 -0.077 0.000 1.127 1408 Y CB 1.232 39.662 38.460 -0.050 0.000 1.173 1408 Y HN 0.094 nan 8.280 nan 0.000 0.639 1409 P HA -0.177 nan 4.420 nan 0.000 0.222 1409 P C 0.977 178.310 177.300 0.055 0.000 1.147 1409 P CA 1.313 64.441 63.100 0.046 0.000 0.790 1409 P CB 0.653 32.366 31.700 0.023 0.000 0.780 1410 E N -0.345 119.894 120.200 0.066 0.000 2.502 1410 E HA -0.001 4.341 4.350 -0.012 0.000 0.194 1410 E C 0.559 177.196 176.600 0.062 0.000 1.062 1410 E CA 0.371 56.805 56.400 0.056 0.000 0.867 1410 E CB -0.261 29.470 29.700 0.051 0.000 0.888 1410 E HN 0.338 nan 8.360 nan 0.000 0.510 1411 Q N 0.253 120.104 119.800 0.085 0.000 2.788 1411 Q HA 0.175 4.507 4.340 -0.012 0.000 0.261 1411 Q C -1.904 174.138 176.000 0.071 0.000 1.029 1411 Q CA -1.530 54.312 55.803 0.066 0.000 0.848 1411 Q CB 1.307 30.077 28.738 0.053 0.000 1.185 1411 Q HN 0.118 nan 8.270 nan 0.000 0.482 1412 P HA -0.167 nan 4.420 nan 0.000 0.216 1412 P C 0.913 178.260 177.300 0.078 0.000 1.150 1412 P CA 1.220 64.359 63.100 0.065 0.000 0.837 1412 P CB 0.305 32.033 31.700 0.047 0.000 0.786 1413 G N -0.446 108.389 108.800 0.057 0.000 3.088 1413 G HA2 -0.049 3.904 3.960 -0.012 0.000 0.212 1413 G HA3 -0.049 3.904 3.960 -0.012 0.000 0.212 1413 G C 1.665 176.597 174.900 0.054 0.000 1.173 1413 G CA -0.260 44.872 45.100 0.053 0.000 0.779 1413 G HN 0.211 nan 8.290 nan 0.000 0.540 1414 R N -0.511 120.031 120.500 0.070 0.000 2.081 1414 R HA -0.099 4.233 4.340 -0.012 0.000 0.235 1414 R C 2.026 178.398 176.300 0.119 0.000 1.131 1414 R CA 1.162 57.292 56.100 0.050 0.000 0.960 1414 R CB -0.344 29.964 30.300 0.014 0.000 0.856 1414 R HN 0.331 nan 8.270 nan 0.000 0.436 1415 F N 1.053 121.018 119.950 0.024 0.000 2.095 1415 F HA -0.156 4.366 4.527 -0.008 0.000 0.298 1415 F C 2.048 177.852 175.800 0.007 0.000 1.104 1415 F CA 1.528 59.551 58.000 0.039 0.000 1.232 1415 F CB -0.744 38.289 39.000 0.056 0.000 0.987 1415 F HN 0.088 nan 8.300 nan 0.000 0.475 1416 A N 0.023 122.779 122.820 -0.107 0.000 1.930 1416 A HA -0.215 4.098 4.320 -0.012 0.000 0.217 1416 A C 2.344 179.820 177.584 -0.180 0.000 1.175 1416 A CA 1.738 53.633 52.037 -0.236 0.000 0.627 1416 A CB -0.865 18.077 19.000 -0.096 0.000 0.815 1416 A HN 0.468 nan 8.150 nan 0.000 0.443 1417 K N -0.313 120.031 120.400 -0.094 0.000 2.103 1417 K HA -0.099 4.214 4.320 -0.012 0.000 0.207 1417 K C 1.851 178.393 176.600 -0.096 0.000 1.048 1417 K CA 1.376 57.615 56.287 -0.080 0.000 0.930 1417 K CB -0.301 32.168 32.500 -0.052 0.000 0.716 1417 K HN 0.500 nan 8.250 nan 0.000 0.444 1418 L N 0.736 121.902 121.223 -0.095 0.000 2.027 1418 L HA -0.193 4.140 4.340 -0.012 0.000 0.206 1418 L C 2.364 179.152 176.870 -0.138 0.000 1.074 1418 L CA 1.076 55.867 54.840 -0.083 0.000 0.745 1418 L CB -0.405 41.646 42.059 -0.013 0.000 0.898 1418 L HN 0.221 nan 8.230 nan 0.000 0.433 1419 L N -0.439 120.635 121.223 -0.249 0.000 2.131 1419 L HA -0.213 4.120 4.340 -0.012 0.000 0.210 1419 L C 2.180 178.941 176.870 -0.183 0.000 1.092 1419 L CA 1.009 55.692 54.840 -0.262 0.000 0.759 1419 L CB -0.415 41.379 42.059 -0.441 0.000 0.903 1419 L HN 0.311 nan 8.230 nan 0.000 0.435 1420 L N -0.302 120.822 121.223 -0.164 0.000 2.650 1420 L HA -0.042 4.291 4.340 -0.012 0.000 0.235 1420 L C 1.948 178.758 176.870 -0.101 0.000 1.149 1420 L CA -0.042 54.725 54.840 -0.122 0.000 0.887 1420 L CB -0.313 41.681 42.059 -0.108 0.000 1.021 1420 L HN 0.203 nan 8.230 nan 0.000 0.441 1421 R N -0.501 119.938 120.500 -0.102 0.000 2.290 1421 R HA 0.167 4.500 4.340 -0.012 0.000 0.197 1421 R C 1.906 178.147 176.300 -0.098 0.000 0.913 1421 R CA 0.324 56.368 56.100 -0.094 0.000 1.040 1421 R CB -0.250 29.996 30.300 -0.089 0.000 0.992 1421 R HN 0.350 nan 8.270 nan 0.000 0.500 1422 L N 0.740 121.904 121.223 -0.098 0.000 2.093 1422 L HA -0.072 4.261 4.340 -0.012 0.000 0.208 1422 L C -0.663 176.155 176.870 -0.087 0.000 1.085 1422 L CA 1.322 56.107 54.840 -0.091 0.000 0.755 1422 L CB -1.277 40.733 42.059 -0.082 0.000 0.904 1422 L HN 0.059 nan 8.230 nan 0.000 0.435 1423 P HA -0.101 nan 4.420 nan 0.000 0.217 1423 P C 1.549 178.802 177.300 -0.078 0.000 1.151 1423 P CA 1.485 64.541 63.100 -0.073 0.000 0.828 1423 P CB 0.064 31.724 31.700 -0.067 0.000 0.788 1424 A N -0.389 122.382 122.820 -0.083 0.000 1.902 1424 A HA -0.184 4.129 4.320 -0.012 0.000 0.217 1424 A C 2.136 179.657 177.584 -0.104 0.000 1.181 1424 A CA 1.467 53.452 52.037 -0.087 0.000 0.623 1424 A CB -1.700 17.248 19.000 -0.087 0.000 0.818 1424 A HN 0.147 nan 8.150 nan 0.000 0.443 1425 L N -0.301 120.852 121.223 -0.117 0.000 2.042 1425 L HA -0.150 4.183 4.340 -0.012 0.000 0.210 1425 L C 2.415 179.203 176.870 -0.138 0.000 1.076 1425 L CA 2.485 57.240 54.840 -0.142 0.000 0.749 1425 L CB -0.572 41.398 42.059 -0.148 0.000 0.893 1425 L HN 0.416 nan 8.230 nan 0.000 0.432 1426 R N -0.673 119.759 120.500 -0.114 0.000 2.073 1426 R HA -0.155 4.178 4.340 -0.012 0.000 0.234 1426 R C 2.580 178.817 176.300 -0.107 0.000 1.134 1426 R CA 2.001 58.037 56.100 -0.107 0.000 0.952 1426 R CB -1.158 29.093 30.300 -0.081 0.000 0.850 1426 R HN 0.504 nan 8.270 nan 0.000 0.433 1427 S N -0.496 115.149 115.700 -0.091 0.000 2.356 1427 S HA -0.060 4.402 4.470 -0.012 0.000 0.223 1427 S C 1.959 176.503 174.600 -0.092 0.000 1.032 1427 S CA 1.490 59.641 58.200 -0.081 0.000 1.005 1427 S CB -0.285 62.875 63.200 -0.067 0.000 0.867 1427 S HN 0.409 nan 8.310 nan 0.000 0.449 1428 I N 1.147 121.653 120.570 -0.107 0.000 2.315 1428 I HA -0.076 4.087 4.170 -0.012 0.000 0.248 1428 I C 2.658 178.689 176.117 -0.144 0.000 1.117 1428 I CA 1.066 62.296 61.300 -0.117 0.000 1.404 1428 I CB -0.799 37.124 38.000 -0.129 0.000 1.071 1428 I HN 0.449 nan 8.210 nan 0.000 0.419 1429 G N 1.024 109.722 108.800 -0.171 0.000 2.418 1429 G HA2 -0.182 3.771 3.960 -0.012 0.000 0.217 1429 G HA3 -0.182 3.771 3.960 -0.012 0.000 0.217 1429 G C 1.716 176.478 174.900 -0.229 0.000 1.158 1429 G CA 0.426 45.389 45.100 -0.227 0.000 0.771 1429 G HN 0.254 nan 8.290 nan 0.000 0.545 1430 L N -0.140 120.981 121.223 -0.170 0.000 2.046 1430 L HA -0.025 4.308 4.340 -0.012 0.000 0.208 1430 L C 2.780 179.582 176.870 -0.113 0.000 1.077 1430 L CA 1.380 56.136 54.840 -0.141 0.000 0.747 1430 L CB -0.227 41.777 42.059 -0.093 0.000 0.896 1430 L HN 0.165 nan 8.230 nan 0.000 0.432 1431 K N -0.145 120.206 120.400 -0.082 0.000 2.057 1431 K HA -0.174 4.138 4.320 -0.012 0.000 0.206 1431 K C 2.200 178.812 176.600 0.019 0.000 1.050 1431 K CA 1.580 57.860 56.287 -0.011 0.000 0.935 1431 K CB -0.899 31.599 32.500 -0.003 0.000 0.715 1431 K HN 0.318 nan 8.250 nan 0.000 0.439 1432 C N 0.187 119.424 119.300 -0.106 0.000 2.429 1432 C HA 0.014 4.467 4.460 -0.012 0.000 0.277 1432 C C 2.462 177.348 174.990 -0.174 0.000 1.262 1432 C CA 0.732 59.660 59.018 -0.150 0.000 1.733 1432 C CB -1.094 26.544 27.740 -0.169 0.000 2.010 1432 C HN 0.649 nan 8.230 nan 0.000 0.483 1433 L N 0.562 121.621 121.223 -0.274 0.000 2.042 1433 L HA -0.177 4.156 4.340 -0.012 0.000 0.210 1433 L C 2.725 179.351 176.870 -0.406 0.000 1.076 1433 L CA 2.131 56.711 54.840 -0.432 0.000 0.749 1433 L CB -0.610 41.159 42.059 -0.483 0.000 0.893 1433 L HN 0.486 nan 8.230 nan 0.000 0.432 1434 E N -1.135 118.955 120.200 -0.183 0.000 2.085 1434 E HA -0.267 4.076 4.350 -0.012 0.000 0.194 1434 E C 2.037 178.574 176.600 -0.105 0.000 0.994 1434 E CA 1.343 57.707 56.400 -0.060 0.000 0.801 1434 E CB -0.182 29.492 29.700 -0.044 0.000 0.743 1434 E HN 0.641 nan 8.360 nan 0.000 0.453 1435 H N 0.302 119.203 119.070 -0.282 0.000 2.353 1435 H HA -0.082 4.466 4.556 -0.013 0.000 0.300 1435 H C 2.386 177.193 175.328 -0.868 0.000 1.090 1435 H CA 1.039 56.759 56.048 -0.546 0.000 1.327 1435 H CB 0.017 29.473 29.762 -0.510 0.000 1.383 1435 H HN 0.155 nan 8.280 nan 0.000 0.508 1436 L N -0.210 120.797 121.223 -0.361 0.000 2.083 1436 L HA -0.172 4.160 4.340 -0.012 0.000 0.209 1436 L C 2.456 179.362 176.870 0.060 0.000 1.083 1436 L CA 1.063 55.816 54.840 -0.145 0.000 0.752 1436 L CB -0.561 41.477 42.059 -0.035 0.000 0.899 1436 L HN 0.211 nan 8.230 nan 0.000 0.433 1437 F N -1.186 118.764 119.950 0.000 0.000 2.134 1437 F HA -0.293 4.226 4.527 -0.013 0.000 0.299 1437 F C 2.479 178.329 175.800 0.084 0.000 1.097 1437 F CA 0.711 58.744 58.000 0.055 0.000 1.264 1437 F CB -0.211 38.818 39.000 0.048 0.000 1.001 1437 F HN 0.026 nan 8.300 nan 0.000 0.479 1438 F N 0.517 120.499 119.950 0.053 0.000 2.134 1438 F HA -0.204 4.317 4.527 -0.010 0.000 0.299 1438 F C 2.008 177.898 175.800 0.151 0.000 1.097 1438 F CA 1.275 59.282 58.000 0.012 0.000 1.264 1438 F CB -0.969 37.950 39.000 -0.134 0.000 1.001 1438 F HN -0.109 nan 8.300 nan 0.000 0.479 1439 F N 0.366 120.375 119.950 0.098 0.000 2.126 1439 F HA -0.253 4.268 4.527 -0.010 0.000 0.299 1439 F C 2.593 178.371 175.800 -0.036 0.000 1.096 1439 F CA 1.233 59.225 58.000 -0.015 0.000 1.255 1439 F CB -0.516 38.535 39.000 0.086 0.000 0.997 1439 F HN -0.059 nan 8.300 nan 0.000 0.479 1440 K N 0.797 121.340 120.400 0.239 0.000 2.057 1440 K HA -0.205 4.108 4.320 -0.012 0.000 0.206 1440 K C 2.074 178.712 176.600 0.063 0.000 1.050 1440 K CA 1.012 57.393 56.287 0.157 0.000 0.935 1440 K CB -0.286 32.339 32.500 0.208 0.000 0.715 1440 K HN 0.146 nan 8.250 nan 0.000 0.439 1441 L N 1.804 123.046 121.223 0.030 0.000 1.989 1441 L HA -0.161 4.172 4.340 -0.012 0.000 0.211 1441 L C 2.021 178.834 176.870 -0.094 0.000 1.071 1441 L CA 1.675 56.497 54.840 -0.030 0.000 0.749 1441 L CB -0.373 41.676 42.059 -0.016 0.000 0.890 1441 L HN 0.250 nan 8.230 nan 0.000 0.431 1442 I N -0.393 120.049 120.570 -0.214 0.000 2.179 1442 I HA -0.145 4.018 4.170 -0.012 0.000 0.242 1442 I C 1.717 177.777 176.117 -0.096 0.000 1.088 1442 I CA 1.188 62.361 61.300 -0.211 0.000 1.357 1442 I CB -0.824 36.976 38.000 -0.332 0.000 1.051 1442 I HN 0.569 nan 8.210 nan 0.000 0.409 1443 G N 1.434 110.201 108.800 -0.055 0.000 2.149 1443 G HA2 -0.235 3.718 3.960 -0.012 0.000 0.235 1443 G HA3 -0.235 3.718 3.960 -0.012 0.000 0.235 1443 G C 0.485 175.366 174.900 -0.031 0.000 1.018 1443 G CA 0.540 45.627 45.100 -0.021 0.000 0.728 1443 G HN 0.600 nan 8.290 nan 0.000 0.508 1444 D N -0.607 119.762 120.400 -0.051 0.000 2.366 1444 D HA 0.079 4.711 4.640 -0.012 0.000 0.205 1444 D C 0.628 176.880 176.300 -0.079 0.000 1.022 1444 D CA 0.930 54.892 54.000 -0.063 0.000 0.868 1444 D CB 0.147 40.901 40.800 -0.078 0.000 0.953 1444 D HN 0.286 nan 8.370 nan 0.000 0.514 1445 T N 2.094 116.600 114.554 -0.080 0.000 2.807 1445 T HA 0.473 4.815 4.350 -0.012 0.000 0.279 1445 T C -2.659 172.023 174.700 -0.031 0.000 0.993 1445 T CA -1.281 60.756 62.100 -0.105 0.000 0.970 1445 T CB 2.050 70.775 68.868 -0.238 0.000 0.950 1445 T HN -0.124 nan 8.240 nan 0.000 0.441 1446 P HA 0.343 nan 4.420 nan 0.000 0.268 1446 P C -0.856 176.463 177.300 0.032 0.000 1.204 1446 P CA -0.153 62.950 63.100 0.005 0.000 0.768 1446 P CB 0.358 32.057 31.700 -0.001 0.000 0.842 1447 I N 2.544 123.146 120.570 0.053 0.000 2.468 1447 I HA 0.207 4.370 4.170 -0.012 0.000 0.284 1447 I C -0.070 176.092 176.117 0.075 0.000 1.038 1447 I CA -0.874 60.472 61.300 0.077 0.000 1.083 1447 I CB 1.724 39.786 38.000 0.104 0.000 1.223 1447 I HN 0.172 nan 8.210 nan 0.000 0.443 1448 D N 3.027 123.477 120.400 0.083 0.000 2.362 1448 D HA 0.028 4.661 4.640 -0.012 0.000 0.238 1448 D C 1.627 177.994 176.300 0.112 0.000 1.212 1448 D CA 0.161 54.221 54.000 0.100 0.000 0.902 1448 D CB 0.919 41.796 40.800 0.129 0.000 1.180 1448 D HN 0.686 nan 8.370 nan 0.000 0.445 1449 T N -1.685 112.945 114.554 0.126 0.000 2.665 1449 T HA -0.253 4.089 4.350 -0.012 0.000 0.268 1449 T C 1.987 176.779 174.700 0.153 0.000 1.035 1449 T CA 1.009 63.180 62.100 0.119 0.000 1.151 1449 T CB -0.702 68.229 68.868 0.106 0.000 0.862 1449 T HN 0.473 nan 8.240 nan 0.000 0.438 1450 F N 0.735 120.662 119.950 -0.037 0.000 2.146 1450 F HA 0.048 4.569 4.527 -0.011 0.000 0.298 1450 F C 2.265 177.915 175.800 -0.250 0.000 1.096 1450 F CA 0.380 58.248 58.000 -0.219 0.000 1.275 1450 F CB -0.045 38.659 39.000 -0.494 0.000 1.008 1450 F HN 0.141 nan 8.300 nan 0.000 0.480 1451 L N 0.578 121.776 121.223 -0.041 0.000 2.046 1451 L HA -0.238 4.095 4.340 -0.012 0.000 0.208 1451 L C 2.255 179.077 176.870 -0.080 0.000 1.077 1451 L CA 1.660 56.392 54.840 -0.180 0.000 0.747 1451 L CB -0.852 41.186 42.059 -0.036 0.000 0.896 1451 L HN 0.228 nan 8.230 nan 0.000 0.432 1452 M N -0.215 119.402 119.600 0.028 0.000 2.117 1452 M HA -0.225 4.248 4.480 -0.012 0.000 0.262 1452 M C 2.232 178.565 176.300 0.054 0.000 1.065 1452 M CA 1.965 57.303 55.300 0.065 0.000 1.114 1452 M CB -0.548 32.096 32.600 0.075 0.000 1.361 1452 M HN 0.470 nan 8.290 nan 0.000 0.408 1453 E N -0.734 119.495 120.200 0.047 0.000 2.077 1453 E HA -0.218 4.124 4.350 -0.012 0.000 0.193 1453 E C 1.821 178.421 176.600 -0.001 0.000 0.989 1453 E CA 1.513 57.942 56.400 0.048 0.000 0.800 1453 E CB 0.001 29.756 29.700 0.092 0.000 0.746 1453 E HN 0.405 nan 8.360 nan 0.000 0.452 1454 M N 0.248 119.753 119.600 -0.159 0.000 2.279 1454 M HA -0.117 4.356 4.480 -0.012 0.000 0.264 1454 M C 2.114 178.426 176.300 0.021 0.000 1.062 1454 M CA 1.150 56.255 55.300 -0.325 0.000 1.099 1454 M CB -0.562 31.324 32.600 -1.189 0.000 1.394 1454 M HN 0.223 nan 8.290 nan 0.000 0.426 1455 L N -0.673 120.617 121.223 0.111 0.000 2.558 1455 L HA 0.029 4.362 4.340 -0.012 0.000 0.225 1455 L C 0.365 177.433 176.870 0.330 0.000 1.128 1455 L CA -0.093 54.959 54.840 0.354 0.000 0.868 1455 L CB -0.247 42.023 42.059 0.352 0.000 1.006 1455 L HN 0.230 nan 8.230 nan 0.000 0.454 1456 E N 1.234 121.541 120.200 0.179 0.000 2.316 1456 E HA 0.360 4.702 4.350 -0.012 0.000 0.275 1456 E C 0.302 176.975 176.600 0.122 0.000 1.029 1456 E CA -0.462 56.011 56.400 0.122 0.000 0.871 1456 E CB 1.191 30.938 29.700 0.078 0.000 1.022 1456 E HN 0.194 nan 8.360 nan 0.000 0.418 1457 A N 4.798 127.667 122.820 0.082 0.000 2.547 1457 A HA 0.148 4.461 4.320 -0.012 0.000 0.233 1457 A C -1.641 175.984 177.584 0.068 0.000 1.067 1457 A CA -0.918 51.160 52.037 0.068 0.000 0.763 1457 A CB -0.537 18.473 19.000 0.017 0.000 1.007 1457 A HN 0.468 nan 8.150 nan 0.000 0.506 1458 P HA 0.000 nan 4.420 nan 0.000 0.216 1458 P CA 0.000 63.138 63.100 0.064 0.000 0.800 1458 P CB 0.000 31.740 31.700 0.067 0.000 0.726