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 3bqi_1_A DATA FIRST_RESID 1218 DATA SEQUENCE ScDLNATNYI RGcQSKTYDG KIFPGKGGEK QWIcKDTIIH GDTNGAcIPP DATA SEQUENCE RTQNLcVGEL WDKSYGGRSN IKNDTKELLK EKIKNAIHKE TELLYEYHDT DATA SEQUENCE GTAIISKXXX XXXXXXNDPN GLPKGFcHAV QRSFIDYKNM ILGTSVNIYE DATA SEQUENCE HIGKLQEDIK KIIEKGTPQQ XXXXXXXXXS TENVNAWWKG IEREMWDAVR DATA SEQUENCE cAITKINKKN NNSIFNGDEc GVSPPTXXXX DQSVSWFKEW GEQFcIERLR DATA SEQUENCE YEQNIREAcT XXXXXEKKcI NSXXXXXDKI QGAcKRKcEK YKKYISEKKQ DATA SEQUENCE EWDKQKTKYE NKYVGKSASD LLKENYPEcI SANFDFIFND NIEYKTYYPY DATA SEQUENCE GDYSSIcScE 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 1218 S HA 0.000 nan 4.470 nan 0.000 0.327 1218 S C 0.000 174.601 174.600 0.002 0.000 1.055 1218 S CA 0.000 58.202 58.200 0.003 0.000 1.107 1218 S CB 0.000 63.202 63.200 0.004 0.000 0.593 1219 c N 0.567 119.170 118.600 0.005 0.000 2.407 1219 c HA 0.806 5.395 4.570 0.032 0.000 0.366 1219 c C 0.531 174.625 174.090 0.007 0.000 1.213 1219 c CA -0.155 56.180 56.329 0.009 0.000 2.011 1219 c CB 0.427 42.949 42.510 0.019 0.000 2.306 1219 c HN 1.089 nan 8.230 nan 0.000 0.527 1220 D N 2.634 123.035 120.400 0.003 0.000 2.948 1220 D HA 0.168 4.828 4.640 0.032 0.000 0.241 1220 D C 1.313 177.618 176.300 0.009 0.000 1.198 1220 D CA -0.161 53.834 54.000 -0.009 0.000 0.926 1220 D CB -0.482 40.290 40.800 -0.047 0.000 1.151 1220 D HN 0.533 nan 8.370 nan 0.000 0.441 1221 L N -0.781 120.453 121.223 0.017 0.000 2.059 1221 L HA -0.361 3.998 4.340 0.032 0.000 0.242 1221 L C 1.579 178.463 176.870 0.024 0.000 1.107 1221 L CA 1.854 56.707 54.840 0.022 0.000 0.836 1221 L CB -1.398 40.671 42.059 0.016 0.000 0.933 1221 L HN 0.212 nan 8.230 nan 0.000 0.446 1222 N N 0.335 119.045 118.700 0.016 0.000 2.336 1222 N HA 0.228 4.988 4.740 0.032 0.000 0.189 1222 N C 0.486 176.006 175.510 0.016 0.000 1.113 1222 N CA 0.742 53.802 53.050 0.018 0.000 0.858 1222 N CB 0.079 38.574 38.487 0.014 0.000 0.970 1222 N HN 0.522 nan 8.380 nan 0.000 0.471 1223 A N 1.370 124.195 122.820 0.008 0.000 2.457 1223 A HA 0.157 4.497 4.320 0.032 0.000 0.298 1223 A C 0.571 178.153 177.584 -0.002 0.000 1.288 1223 A CA 0.012 52.047 52.037 -0.002 0.000 0.956 1223 A CB -0.211 18.778 19.000 -0.018 0.000 1.135 1223 A HN 0.012 nan 8.150 nan 0.000 0.535 1224 T N 2.450 117.015 114.554 0.017 0.000 2.897 1224 T HA 0.335 4.705 4.350 0.032 0.000 0.294 1224 T C -0.200 174.516 174.700 0.026 0.000 1.004 1224 T CA -0.467 61.657 62.100 0.041 0.000 1.106 1224 T CB -0.033 68.878 68.868 0.073 0.000 0.949 1224 T HN 0.738 nan 8.240 nan 0.000 0.520 1225 N N 3.666 122.386 118.700 0.033 0.000 2.572 1225 N HA 0.187 4.946 4.740 0.032 0.000 0.287 1225 N C -1.688 173.868 175.510 0.075 0.000 1.136 1225 N CA -0.489 52.557 53.050 -0.005 0.000 0.900 1225 N CB 1.345 39.782 38.487 -0.082 0.000 1.484 1225 N HN 0.711 nan 8.380 nan 0.000 0.526 1226 Y N 3.297 123.611 120.300 0.023 0.000 2.420 1226 Y HA 0.740 5.309 4.550 0.031 0.000 0.334 1226 Y C -0.307 175.615 175.900 0.036 0.000 1.094 1226 Y CA -0.999 57.125 58.100 0.041 0.000 1.126 1226 Y CB 0.842 39.327 38.460 0.041 0.000 1.217 1226 Y HN 0.286 nan 8.280 nan 0.000 0.462 1227 I N 1.463 122.142 120.570 0.182 0.000 2.569 1227 I HA 0.700 4.889 4.170 0.032 0.000 0.296 1227 I C -0.695 175.537 176.117 0.192 0.000 1.028 1227 I CA -1.590 59.762 61.300 0.087 0.000 1.082 1227 I CB 2.098 40.142 38.000 0.073 0.000 1.264 1227 I HN 0.783 nan 8.210 nan 0.000 0.429 1228 R N 3.427 124.006 120.500 0.132 0.000 2.539 1228 R HA 0.738 5.097 4.340 0.032 0.000 0.275 1228 R C 0.716 177.078 176.300 0.104 0.000 1.077 1228 R CA 0.336 56.520 56.100 0.140 0.000 1.097 1228 R CB 0.689 31.050 30.300 0.102 0.000 1.018 1228 R HN 1.124 nan 8.270 nan 0.000 0.483 1229 G N 0.506 109.361 108.800 0.092 0.000 2.254 1229 G HA2 -0.268 3.711 3.960 0.032 0.000 0.225 1229 G HA3 -0.268 3.711 3.960 0.032 0.000 0.225 1229 G C -0.184 174.765 174.900 0.081 0.000 1.003 1229 G CA -0.016 45.133 45.100 0.082 0.000 0.622 1229 G HN 0.728 nan 8.290 nan 0.000 0.507 1230 c N 3.438 122.097 118.600 0.099 0.000 2.242 1230 c HA 0.731 5.320 4.570 0.032 0.000 0.317 1230 c C 0.347 174.487 174.090 0.084 0.000 1.087 1230 c CA -1.269 55.118 56.329 0.096 0.000 1.535 1230 c CB 0.259 42.845 42.510 0.126 0.000 1.893 1230 c HN 0.469 nan 8.230 nan 0.000 0.426 1231 Q N 0.727 120.559 119.800 0.052 0.000 2.169 1231 Q HA 0.433 4.793 4.340 0.032 0.000 0.234 1231 Q C 0.290 176.303 176.000 0.022 0.000 0.980 1231 Q CA -0.337 55.486 55.803 0.033 0.000 0.941 1231 Q CB 0.717 29.464 28.738 0.015 0.000 1.199 1231 Q HN 0.616 nan 8.270 nan 0.000 0.496 1232 S N 1.488 117.196 115.700 0.014 0.000 2.561 1232 S HA -0.021 4.469 4.470 0.032 0.000 0.294 1232 S C 0.215 174.774 174.600 -0.069 0.000 1.294 1232 S CA 0.090 58.292 58.200 0.003 0.000 1.055 1232 S CB 0.244 63.458 63.200 0.022 0.000 0.819 1232 S HN 0.172 nan 8.310 nan 0.000 0.503 1233 K N 2.238 122.523 120.400 -0.193 0.000 2.355 1233 K HA 0.102 4.441 4.320 0.032 0.000 0.270 1233 K C 1.299 177.576 176.600 -0.538 0.000 1.003 1233 K CA 0.192 56.184 56.287 -0.492 0.000 0.957 1233 K CB 0.360 32.223 32.500 -1.061 0.000 0.939 1233 K HN 0.842 nan 8.250 nan 0.000 0.482 1234 T N -2.726 111.600 114.554 -0.379 0.000 3.087 1234 T HA 0.034 4.404 4.350 0.032 0.000 0.283 1234 T C 1.383 176.033 174.700 -0.082 0.000 0.956 1234 T CA -0.317 61.692 62.100 -0.152 0.000 0.894 1234 T CB -0.383 68.459 68.868 -0.043 0.000 1.160 1234 T HN 0.528 nan 8.240 nan 0.000 0.532 1235 Y N 1.626 121.839 120.300 -0.144 0.000 2.293 1235 Y HA 0.237 4.803 4.550 0.027 0.000 0.291 1235 Y C 0.950 176.888 175.900 0.065 0.000 1.137 1235 Y CA 0.838 58.906 58.100 -0.054 0.000 1.202 1235 Y CB -0.579 37.808 38.460 -0.122 0.000 0.990 1235 Y HN 0.106 nan 8.280 nan 0.000 0.537 1236 D N 0.522 120.961 120.400 0.065 0.000 2.388 1236 D HA 0.385 5.045 4.640 0.032 0.000 0.221 1236 D C 0.547 176.893 176.300 0.077 0.000 1.133 1236 D CA 0.991 55.061 54.000 0.117 0.000 0.831 1236 D CB 0.519 41.357 40.800 0.064 0.000 0.962 1236 D HN 0.564 nan 8.370 nan 0.000 0.502 1237 G N 0.614 109.473 108.800 0.098 0.000 2.525 1237 G HA2 -0.140 3.839 3.960 0.032 0.000 0.685 1237 G HA3 -0.140 3.839 3.960 0.032 0.000 0.685 1237 G C -0.668 174.293 174.900 0.102 0.000 1.285 1237 G CA -1.136 44.008 45.100 0.073 0.000 0.849 1237 G HN 0.009 nan 8.290 nan 0.000 0.653 1238 K N -0.057 120.382 120.400 0.065 0.000 2.414 1238 K HA 0.280 4.619 4.320 0.032 0.000 0.272 1238 K C 1.003 177.649 176.600 0.077 0.000 0.993 1238 K CA -0.065 56.261 56.287 0.065 0.000 0.964 1238 K CB 0.671 33.184 32.500 0.023 0.000 0.925 1238 K HN 0.407 nan 8.250 nan 0.000 0.487 1239 I N 3.413 124.040 120.570 0.094 0.000 2.618 1239 I HA -0.068 4.121 4.170 0.032 0.000 0.284 1239 I C 0.659 176.819 176.117 0.072 0.000 1.146 1239 I CA -0.152 61.193 61.300 0.075 0.000 1.425 1239 I CB -0.002 38.047 38.000 0.081 0.000 1.383 1239 I HN 0.451 nan 8.210 nan 0.000 0.562 1240 F N 9.268 129.189 119.950 -0.048 0.000 2.635 1240 F HA 0.009 4.555 4.527 0.032 0.000 0.379 1240 F C -1.216 174.566 175.800 -0.031 0.000 1.094 1240 F CA -0.886 57.088 58.000 -0.042 0.000 1.300 1240 F CB 0.468 39.434 39.000 -0.056 0.000 1.035 1240 F HN 0.411 nan 8.300 nan 0.000 0.581 1241 P HA 0.145 nan 4.420 nan 0.000 0.249 1241 P C 0.190 177.180 177.300 -0.515 0.000 1.229 1241 P CA 0.184 62.544 63.100 -1.233 0.000 0.788 1241 P CB -0.063 31.089 31.700 -0.913 0.000 1.072 1242 G N 0.568 109.223 108.800 -0.241 0.000 2.491 1242 G HA2 0.267 4.246 3.960 0.032 0.000 0.238 1242 G HA3 0.267 4.246 3.960 0.032 0.000 0.238 1242 G C -0.449 174.422 174.900 -0.049 0.000 1.277 1242 G CA 0.073 45.107 45.100 -0.111 0.000 0.851 1242 G HN 0.032 nan 8.290 nan 0.000 0.573 1243 K N 0.099 120.484 120.400 -0.025 0.000 2.426 1243 K HA 0.648 4.987 4.320 0.032 0.000 0.251 1243 K C 0.644 177.255 176.600 0.018 0.000 0.941 1243 K CA 0.706 57.000 56.287 0.012 0.000 0.808 1243 K CB 1.739 34.247 32.500 0.014 0.000 1.265 1243 K HN 1.319 nan 8.250 nan 0.000 0.432 1244 G N 1.296 110.115 108.800 0.031 0.000 2.552 1244 G HA2 -0.014 3.965 3.960 0.032 0.000 0.265 1244 G HA3 -0.014 3.965 3.960 0.032 0.000 0.265 1244 G C 0.670 175.592 174.900 0.036 0.000 1.234 1244 G CA 0.350 45.471 45.100 0.035 0.000 0.944 1244 G HN 1.677 nan 8.290 nan 0.000 0.568 1245 G N -0.872 107.949 108.800 0.036 0.000 2.153 1245 G HA2 0.006 3.986 3.960 0.032 0.000 0.252 1245 G HA3 0.006 3.986 3.960 0.032 0.000 0.252 1245 G C 0.488 175.415 174.900 0.045 0.000 0.994 1245 G CA 1.732 46.852 45.100 0.034 0.000 0.698 1245 G HN 2.093 nan 8.290 nan 0.000 0.521 1246 E N 0.693 120.929 120.200 0.060 0.000 2.383 1246 E HA 0.427 4.797 4.350 0.032 0.000 0.264 1246 E C 0.072 176.720 176.600 0.080 0.000 1.050 1246 E CA -0.153 56.295 56.400 0.080 0.000 0.896 1246 E CB 1.055 30.812 29.700 0.095 0.000 0.982 1246 E HN 0.411 nan 8.360 nan 0.000 0.424 1247 K N 1.546 121.998 120.400 0.087 0.000 2.098 1247 K HA 0.178 4.517 4.320 0.032 0.000 0.258 1247 K C 0.218 176.855 176.600 0.062 0.000 0.973 1247 K CA -0.632 55.687 56.287 0.054 0.000 0.898 1247 K CB 1.289 33.799 32.500 0.017 0.000 1.057 1247 K HN 0.602 nan 8.250 nan 0.000 0.447 1248 Q N 0.347 120.181 119.800 0.056 0.000 2.241 1248 Q HA 0.304 4.663 4.340 0.032 0.000 0.262 1248 Q C -1.043 174.996 176.000 0.065 0.000 1.014 1248 Q CA -0.950 54.930 55.803 0.127 0.000 0.885 1248 Q CB 0.747 29.582 28.738 0.162 0.000 1.311 1248 Q HN 0.397 nan 8.270 nan 0.000 0.461 1249 W N 1.355 122.704 121.300 0.081 0.000 2.308 1249 W HA 0.267 4.951 4.660 0.040 0.000 0.324 1249 W C -0.409 176.113 176.519 0.005 0.000 1.387 1249 W CA -0.055 57.322 57.345 0.054 0.000 1.250 1249 W CB 0.326 29.884 29.460 0.164 0.000 1.257 1249 W HN 0.418 nan 8.180 nan 0.000 0.554 1250 I N 5.280 125.905 120.570 0.092 0.000 2.307 1250 I HA 0.168 4.358 4.170 0.032 0.000 0.287 1250 I C -0.474 175.660 176.117 0.028 0.000 1.054 1250 I CA -0.476 60.836 61.300 0.019 0.000 1.218 1250 I CB 0.150 38.099 38.000 -0.085 0.000 1.398 1250 I HN 0.224 nan 8.210 nan 0.000 0.475 1251 c N 6.473 125.098 118.600 0.041 0.000 2.319 1251 c HA 0.530 5.119 4.570 0.032 0.000 0.335 1251 c C 0.178 174.253 174.090 -0.024 0.000 1.274 1251 c CA -0.862 55.470 56.329 0.005 0.000 1.806 1251 c CB 0.415 42.914 42.510 -0.018 0.000 2.329 1251 c HN 0.569 nan 8.230 nan 0.000 0.524 1252 K N 2.353 122.732 120.400 -0.036 0.000 2.371 1252 K HA 0.316 4.655 4.320 0.032 0.000 0.251 1252 K C -0.180 176.392 176.600 -0.047 0.000 0.934 1252 K CA -0.532 55.730 56.287 -0.043 0.000 0.798 1252 K CB 2.154 34.623 32.500 -0.051 0.000 1.204 1252 K HN 0.510 nan 8.250 nan 0.000 0.427 1253 D N 0.782 121.154 120.400 -0.047 0.000 2.113 1253 D HA -0.109 4.550 4.640 0.032 0.000 0.206 1253 D C 0.740 177.014 176.300 -0.044 0.000 0.979 1253 D CA 1.562 55.532 54.000 -0.050 0.000 0.862 1253 D CB 0.008 40.780 40.800 -0.046 0.000 1.013 1253 D HN 0.523 nan 8.370 nan 0.000 0.455 1254 T N 0.784 115.315 114.554 -0.039 0.000 4.309 1254 T HA 0.376 4.745 4.350 0.032 0.000 0.242 1254 T C -0.053 174.627 174.700 -0.034 0.000 1.142 1254 T CA -0.144 61.934 62.100 -0.035 0.000 1.042 1254 T CB -1.222 67.627 68.868 -0.031 0.000 1.366 1254 T HN 0.027 nan 8.240 nan 0.000 0.942 1255 I N 2.336 122.887 120.570 -0.032 0.000 2.827 1255 I HA 0.528 4.717 4.170 0.032 0.000 0.298 1255 I C -1.462 174.648 176.117 -0.012 0.000 1.235 1255 I CA -1.434 59.851 61.300 -0.025 0.000 1.021 1255 I CB 2.286 40.266 38.000 -0.032 0.000 1.259 1255 I HN 0.221 nan 8.210 nan 0.000 0.427 1256 I N 5.936 126.505 120.570 -0.002 0.000 2.377 1256 I HA 0.390 4.580 4.170 0.032 0.000 0.293 1256 I C -0.609 175.551 176.117 0.071 0.000 0.987 1256 I CA -0.427 60.879 61.300 0.010 0.000 1.185 1256 I CB 1.281 39.272 38.000 -0.015 0.000 1.341 1256 I HN 0.458 nan 8.210 nan 0.000 0.455 1257 H N 5.126 124.149 119.070 -0.078 0.000 2.840 1257 H HA 0.431 5.009 4.556 0.037 0.000 0.340 1257 H C 0.341 175.597 175.328 -0.121 0.000 1.004 1257 H CA 0.374 56.355 56.048 -0.111 0.000 1.288 1257 H CB 1.607 31.302 29.762 -0.110 0.000 1.607 1257 H HN 0.849 nan 8.280 nan 0.000 0.522 1258 G N 4.997 113.581 108.800 -0.359 0.000 2.536 1258 G HA2 -0.343 3.636 3.960 0.032 0.000 0.277 1258 G HA3 -0.343 3.636 3.960 0.032 0.000 0.277 1258 G C 0.420 175.218 174.900 -0.170 0.000 1.155 1258 G CA 0.553 45.475 45.100 -0.296 0.000 0.960 1258 G HN 0.609 nan 8.290 nan 0.000 0.544 1259 D N 0.517 120.823 120.400 -0.158 0.000 2.305 1259 D HA 0.316 4.975 4.640 0.032 0.000 0.206 1259 D C 1.327 177.564 176.300 -0.105 0.000 0.974 1259 D CA 1.696 55.618 54.000 -0.128 0.000 0.871 1259 D CB 0.487 41.197 40.800 -0.149 0.000 0.947 1259 D HN 0.519 nan 8.370 nan 0.000 0.516 1260 T N -0.782 113.711 114.554 -0.102 0.000 2.742 1260 T HA 0.369 4.738 4.350 0.032 0.000 0.282 1260 T C -0.982 173.682 174.700 -0.059 0.000 1.025 1260 T CA -0.819 61.230 62.100 -0.086 0.000 1.020 1260 T CB 0.747 69.551 68.868 -0.107 0.000 1.317 1260 T HN -0.271 nan 8.240 nan 0.000 0.538 1261 N N 0.666 119.329 118.700 -0.062 0.000 2.508 1261 N HA 0.540 5.299 4.740 0.032 0.000 0.264 1261 N C 0.403 175.883 175.510 -0.051 0.000 1.216 1261 N CA 0.971 53.990 53.050 -0.052 0.000 0.943 1261 N CB 0.263 38.713 38.487 -0.061 0.000 1.113 1261 N HN 1.113 nan 8.380 nan 0.000 0.447 1262 G N -0.931 107.846 108.800 -0.038 0.000 2.730 1262 G HA2 0.463 4.443 3.960 0.032 0.000 0.686 1262 G HA3 0.463 4.443 3.960 0.032 0.000 0.686 1262 G C -1.200 173.704 174.900 0.005 0.000 1.343 1262 G CA -0.388 44.687 45.100 -0.042 0.000 0.826 1262 G HN 1.162 nan 8.290 nan 0.000 0.582 1263 A N -0.730 122.093 122.820 0.005 0.000 2.572 1263 A HA 0.619 4.958 4.320 0.032 0.000 0.303 1263 A C -0.493 177.137 177.584 0.077 0.000 1.059 1263 A CA 0.233 52.319 52.037 0.081 0.000 0.788 1263 A CB 0.734 19.771 19.000 0.061 0.000 1.282 1263 A HN 2.170 nan 8.150 nan 0.000 0.397 1264 c N 2.764 121.458 118.600 0.158 0.000 2.281 1264 c HA 0.604 5.193 4.570 0.032 0.000 0.323 1264 c C 0.258 174.485 174.090 0.229 0.000 1.270 1264 c CA -0.397 56.045 56.329 0.190 0.000 1.559 1264 c CB -0.589 42.001 42.510 0.133 0.000 2.239 1264 c HN 0.622 nan 8.230 nan 0.000 0.488 1265 I N 5.817 126.340 120.570 -0.078 0.000 2.312 1265 I HA 0.240 4.430 4.170 0.032 0.000 0.291 1265 I C -2.143 173.491 176.117 -0.806 0.000 1.031 1265 I CA -1.652 59.248 61.300 -0.667 0.000 1.293 1265 I CB 0.694 38.367 38.000 -0.545 0.000 1.403 1265 I HN 0.306 nan 8.210 nan 0.000 0.484 1266 P HA 0.059 nan 4.420 nan 0.000 0.265 1266 P C -2.004 174.615 177.300 -1.135 0.000 1.193 1266 P CA -0.980 61.073 63.100 -1.744 0.000 0.765 1266 P CB 0.138 31.123 31.700 -1.192 0.000 0.823 1267 P HA -0.240 nan 4.420 nan 0.000 0.217 1267 P C 1.617 178.561 177.300 -0.594 0.000 1.158 1267 P CA 1.667 64.438 63.100 -0.548 0.000 0.887 1267 P CB -0.077 31.456 31.700 -0.278 0.000 0.792 1268 R N -0.701 119.229 120.500 -0.951 0.000 2.080 1268 R HA -0.131 4.228 4.340 0.032 0.000 0.236 1268 R C 1.949 177.863 176.300 -0.644 0.000 1.137 1268 R CA 2.442 57.775 56.100 -1.279 0.000 0.943 1268 R CB -1.130 28.514 30.300 -1.094 0.000 0.846 1268 R HN 0.133 nan 8.270 nan 0.000 0.431 1269 T N 1.401 115.631 114.554 -0.539 0.000 2.699 1269 T HA -0.214 4.156 4.350 0.032 0.000 0.268 1269 T C 1.716 176.262 174.700 -0.257 0.000 1.036 1269 T CA 1.838 63.713 62.100 -0.375 0.000 1.147 1269 T CB -0.248 68.333 68.868 -0.478 0.000 0.862 1269 T HN 0.476 nan 8.240 nan 0.000 0.446 1270 Q N 0.567 120.212 119.800 -0.259 0.000 2.439 1270 Q HA 0.011 4.371 4.340 0.032 0.000 0.211 1270 Q C 1.675 177.614 176.000 -0.101 0.000 0.978 1270 Q CA 0.575 56.330 55.803 -0.080 0.000 0.897 1270 Q CB -0.031 28.659 28.738 -0.080 0.000 0.956 1270 Q HN 0.272 nan 8.270 nan 0.000 0.483 1271 N N -0.103 118.502 118.700 -0.159 0.000 2.187 1271 N HA 0.046 4.805 4.740 0.032 0.000 0.212 1271 N C -0.683 174.779 175.510 -0.079 0.000 1.152 1271 N CA -0.213 52.786 53.050 -0.085 0.000 0.872 1271 N CB 0.436 38.931 38.487 0.014 0.000 1.025 1271 N HN 0.111 nan 8.380 nan 0.000 0.514 1272 L N 1.683 122.826 121.223 -0.134 0.000 2.559 1272 L HA -0.007 4.353 4.340 0.032 0.000 0.274 1272 L C 0.262 177.126 176.870 -0.010 0.000 1.205 1272 L CA 0.100 54.869 54.840 -0.118 0.000 0.907 1272 L CB 0.073 41.983 42.059 -0.249 0.000 1.153 1272 L HN 0.191 nan 8.230 nan 0.000 0.490 1273 c N 6.380 125.051 118.600 0.119 0.000 2.619 1273 c HA 0.290 4.879 4.570 0.032 0.000 0.389 1273 c C 1.633 175.889 174.090 0.276 0.000 1.314 1273 c CA -0.145 56.297 56.329 0.188 0.000 1.678 1273 c CB -1.161 41.482 42.510 0.222 0.000 2.398 1273 c HN 0.781 nan 8.230 nan 0.000 0.582 1274 V N 5.642 125.674 119.914 0.197 0.000 3.650 1274 V HA 0.399 4.538 4.120 0.032 0.000 0.271 1274 V C 1.620 177.841 176.094 0.211 0.000 1.281 1274 V CA 0.963 63.403 62.300 0.233 0.000 1.120 1274 V CB -1.493 30.439 31.823 0.182 0.000 0.856 1274 V HN 1.583 nan 8.190 nan 0.000 0.443 1275 G N 1.866 110.773 108.800 0.178 0.000 2.652 1275 G HA2 -0.365 3.614 3.960 0.032 0.000 0.318 1275 G HA3 -0.365 3.614 3.960 0.032 0.000 0.318 1275 G C 0.618 175.602 174.900 0.140 0.000 1.295 1275 G CA 0.804 45.991 45.100 0.145 0.000 0.999 1275 G HN 0.507 nan 8.290 nan 0.000 0.548 1276 E N 0.871 121.136 120.200 0.108 0.000 2.512 1276 E HA 0.140 4.509 4.350 0.032 0.000 0.195 1276 E C 2.589 179.255 176.600 0.110 0.000 1.083 1276 E CA 0.277 56.728 56.400 0.086 0.000 0.873 1276 E CB 0.031 29.761 29.700 0.050 0.000 0.897 1276 E HN 0.531 nan 8.360 nan 0.000 0.514 1277 L N -0.764 120.559 121.223 0.167 0.000 2.179 1277 L HA 0.031 4.391 4.340 0.032 0.000 0.208 1277 L C 1.319 178.363 176.870 0.289 0.000 1.096 1277 L CA 0.711 55.675 54.840 0.207 0.000 0.779 1277 L CB 0.050 42.247 42.059 0.230 0.000 0.922 1277 L HN 0.182 nan 8.230 nan 0.000 0.443 1278 W N 0.584 121.922 121.300 0.064 0.000 2.702 1278 W HA 0.242 4.921 4.660 0.032 0.000 0.331 1278 W C -1.314 175.220 176.519 0.026 0.000 1.049 1278 W CA -0.779 56.599 57.345 0.056 0.000 1.230 1278 W CB 1.793 31.299 29.460 0.076 0.000 1.408 1278 W HN -0.223 nan 8.180 nan 0.000 0.492 1279 D N 4.541 124.576 120.400 -0.608 0.000 2.412 1279 D HA 0.174 4.833 4.640 0.032 0.000 0.224 1279 D C 0.781 176.762 176.300 -0.532 0.000 1.093 1279 D CA 0.107 53.849 54.000 -0.430 0.000 0.850 1279 D CB 1.270 41.867 40.800 -0.337 0.000 1.046 1279 D HN 0.348 nan 8.370 nan 0.000 0.507 1280 K N 1.054 121.356 120.400 -0.162 0.000 2.296 1280 K HA -0.008 4.331 4.320 0.032 0.000 0.200 1280 K C 0.872 177.419 176.600 -0.089 0.000 1.048 1280 K CA 0.140 56.429 56.287 0.003 0.000 0.966 1280 K CB 0.068 32.626 32.500 0.097 0.000 0.754 1280 K HN 0.477 nan 8.250 nan 0.000 0.466 1281 S N 0.490 116.081 115.700 -0.182 0.000 2.560 1281 S HA -0.084 4.405 4.470 0.032 0.000 0.284 1281 S C -0.243 174.216 174.600 -0.235 0.000 1.327 1281 S CA -0.446 57.540 58.200 -0.357 0.000 1.055 1281 S CB -0.222 62.685 63.200 -0.488 0.000 0.868 1281 S HN 0.342 nan 8.310 nan 0.000 0.506 1282 Y N 0.933 121.219 120.300 -0.024 0.000 3.027 1282 Y HA -0.146 4.424 4.550 0.034 0.000 0.195 1282 Y C 1.571 177.462 175.900 -0.014 0.000 1.381 1282 Y CA 0.949 59.038 58.100 -0.019 0.000 1.015 1282 Y CB -2.237 36.205 38.460 -0.029 0.000 1.329 1282 Y HN 1.642 nan 8.280 nan 0.000 0.462 1283 G N -1.719 107.137 108.800 0.094 0.000 2.205 1283 G HA2 0.181 4.160 3.960 0.032 0.000 0.261 1283 G HA3 0.181 4.160 3.960 0.032 0.000 0.261 1283 G C 0.976 175.942 174.900 0.111 0.000 0.980 1283 G CA 0.744 45.901 45.100 0.094 0.000 0.632 1283 G HN 2.464 nan 8.290 nan 0.000 0.533 1284 G N -0.963 107.872 108.800 0.058 0.000 2.895 1284 G HA2 0.469 4.448 3.960 0.032 0.000 0.686 1284 G HA3 0.469 4.448 3.960 0.032 0.000 0.686 1284 G C -0.492 174.267 174.900 -0.234 0.000 1.108 1284 G CA 0.561 45.677 45.100 0.027 0.000 0.761 1284 G HN 2.300 nan 8.290 nan 0.000 0.611 1285 R N -0.257 119.692 120.500 -0.918 0.000 2.690 1285 R HA 0.745 5.104 4.340 0.032 0.000 0.269 1285 R C -0.364 175.084 176.300 -1.419 0.000 1.037 1285 R CA -0.310 55.249 56.100 -0.901 0.000 0.877 1285 R CB 0.927 31.002 30.300 -0.376 0.000 1.255 1285 R HN 1.389 nan 8.270 nan 0.000 0.467 1286 S N 0.694 115.958 115.700 -0.727 0.000 2.533 1286 S HA 0.022 4.512 4.470 0.032 0.000 0.282 1286 S C 0.235 174.723 174.600 -0.188 0.000 1.304 1286 S CA -0.278 57.772 58.200 -0.250 0.000 1.063 1286 S CB 0.259 63.515 63.200 0.093 0.000 0.881 1286 S HN 0.642 nan 8.310 nan 0.000 0.493 1287 N N 3.317 121.963 118.700 -0.090 0.000 2.251 1287 N HA 0.230 4.989 4.740 0.032 0.000 0.217 1287 N C 0.505 176.018 175.510 0.006 0.000 1.124 1287 N CA 0.073 53.088 53.050 -0.058 0.000 0.843 1287 N CB -0.199 38.260 38.487 -0.047 0.000 1.024 1287 N HN 0.795 nan 8.380 nan 0.000 0.501 1288 I N -4.364 116.223 120.570 0.029 0.000 4.160 1288 I HA 0.317 4.506 4.170 0.032 0.000 0.325 1288 I C 1.439 177.569 176.117 0.022 0.000 1.455 1288 I CA -0.464 60.859 61.300 0.039 0.000 1.142 1288 I CB 0.346 38.389 38.000 0.071 0.000 1.262 1288 I HN -0.164 nan 8.210 nan 0.000 0.483 1289 K N 2.249 122.655 120.400 0.010 0.000 2.103 1289 K HA -0.099 4.240 4.320 0.032 0.000 0.207 1289 K C 0.745 177.344 176.600 -0.002 0.000 1.048 1289 K CA 2.246 58.535 56.287 0.005 0.000 0.930 1289 K CB -0.046 32.452 32.500 -0.004 0.000 0.716 1289 K HN 0.545 nan 8.250 nan 0.000 0.444 1290 N N 0.586 119.284 118.700 -0.004 0.000 2.214 1290 N HA 0.044 4.804 4.740 0.032 0.000 0.214 1290 N C -1.093 174.415 175.510 -0.004 0.000 1.132 1290 N CA -0.325 52.722 53.050 -0.006 0.000 0.856 1290 N CB 0.630 39.113 38.487 -0.007 0.000 1.020 1290 N HN 0.080 nan 8.380 nan 0.000 0.509 1291 D N 1.037 121.437 120.400 0.000 0.000 2.372 1291 D HA 0.033 4.693 4.640 0.032 0.000 0.243 1291 D C 0.607 176.906 176.300 -0.002 0.000 1.121 1291 D CA 0.194 54.198 54.000 0.007 0.000 0.898 1291 D CB 0.812 41.625 40.800 0.021 0.000 1.202 1291 D HN 0.172 nan 8.370 nan 0.000 0.428 1292 T N -1.610 112.949 114.554 0.008 0.000 2.868 1292 T HA 0.128 4.498 4.350 0.032 0.000 0.292 1292 T C 1.261 175.972 174.700 0.019 0.000 1.028 1292 T CA -0.667 61.438 62.100 0.007 0.000 1.059 1292 T CB 0.960 69.841 68.868 0.022 0.000 0.991 1292 T HN 0.458 nan 8.240 nan 0.000 0.531 1293 K N 0.618 121.020 120.400 0.003 0.000 2.209 1293 K HA -0.170 4.170 4.320 0.032 0.000 0.204 1293 K C 1.486 178.220 176.600 0.222 0.000 1.048 1293 K CA 1.460 57.768 56.287 0.036 0.000 0.940 1293 K CB -0.183 32.267 32.500 -0.083 0.000 0.729 1293 K HN 0.607 nan 8.250 nan 0.000 0.451 1294 E N 1.106 121.401 120.200 0.158 0.000 2.072 1294 E HA -0.133 4.236 4.350 0.032 0.000 0.191 1294 E C 1.796 178.470 176.600 0.123 0.000 0.985 1294 E CA 0.924 57.413 56.400 0.147 0.000 0.801 1294 E CB -0.167 29.589 29.700 0.093 0.000 0.750 1294 E HN 0.229 nan 8.360 nan 0.000 0.452 1295 L N 0.226 121.504 121.223 0.093 0.000 2.156 1295 L HA 0.021 4.381 4.340 0.032 0.000 0.208 1295 L C 1.920 178.848 176.870 0.098 0.000 1.095 1295 L CA 1.092 55.977 54.840 0.074 0.000 0.770 1295 L CB -0.442 41.646 42.059 0.048 0.000 0.914 1295 L HN 0.189 nan 8.230 nan 0.000 0.439 1296 L N -0.007 121.291 121.223 0.126 0.000 2.017 1296 L HA -0.223 4.136 4.340 0.032 0.000 0.208 1296 L C 2.574 179.588 176.870 0.240 0.000 1.073 1296 L CA 2.144 57.084 54.840 0.166 0.000 0.745 1296 L CB -0.837 41.308 42.059 0.144 0.000 0.894 1296 L HN 0.361 nan 8.230 nan 0.000 0.432 1297 K N -0.684 119.903 120.400 0.311 0.000 2.032 1297 K HA -0.287 4.053 4.320 0.032 0.000 0.209 1297 K C 2.140 178.813 176.600 0.121 0.000 1.048 1297 K CA 1.821 58.255 56.287 0.246 0.000 0.927 1297 K CB -0.170 32.458 32.500 0.214 0.000 0.712 1297 K HN 0.364 nan 8.250 nan 0.000 0.441 1298 E N 1.136 121.395 120.200 0.099 0.000 2.058 1298 E HA -0.181 4.188 4.350 0.032 0.000 0.194 1298 E C 1.659 178.290 176.600 0.052 0.000 0.997 1298 E CA 1.812 58.245 56.400 0.055 0.000 0.801 1298 E CB 0.072 29.798 29.700 0.042 0.000 0.746 1298 E HN 0.266 nan 8.360 nan 0.000 0.450 1299 K N -0.344 120.100 120.400 0.073 0.000 2.147 1299 K HA -0.078 4.262 4.320 0.032 0.000 0.205 1299 K C 2.229 178.872 176.600 0.072 0.000 1.049 1299 K CA 1.329 57.659 56.287 0.072 0.000 0.936 1299 K CB -0.167 32.386 32.500 0.088 0.000 0.722 1299 K HN 0.225 nan 8.250 nan 0.000 0.446 1300 I N 1.125 121.747 120.570 0.088 0.000 2.163 1300 I HA -0.270 3.920 4.170 0.032 0.000 0.240 1300 I C 2.515 178.613 176.117 -0.031 0.000 1.081 1300 I CA 1.146 62.472 61.300 0.044 0.000 1.353 1300 I CB -0.206 37.866 38.000 0.120 0.000 1.054 1300 I HN 0.089 nan 8.210 nan 0.000 0.407 1301 K N 1.043 121.451 120.400 0.013 0.000 2.044 1301 K HA -0.242 4.098 4.320 0.032 0.000 0.210 1301 K C 1.956 178.574 176.600 0.030 0.000 1.049 1301 K CA 1.955 58.252 56.287 0.018 0.000 0.927 1301 K CB -0.052 32.459 32.500 0.019 0.000 0.713 1301 K HN 0.258 nan 8.250 nan 0.000 0.443 1302 N N 0.430 119.142 118.700 0.021 0.000 2.188 1302 N HA -0.123 4.636 4.740 0.032 0.000 0.184 1302 N C 1.630 177.183 175.510 0.072 0.000 1.018 1302 N CA 1.304 54.374 53.050 0.033 0.000 0.858 1302 N CB -0.425 38.068 38.487 0.009 0.000 0.989 1302 N HN 0.307 nan 8.380 nan 0.000 0.426 1303 A N 1.401 124.241 122.820 0.032 0.000 1.877 1303 A HA -0.069 4.271 4.320 0.032 0.000 0.216 1303 A C 2.319 179.886 177.584 -0.028 0.000 1.186 1303 A CA 0.961 53.019 52.037 0.034 0.000 0.620 1303 A CB -0.714 18.304 19.000 0.030 0.000 0.822 1303 A HN 0.209 nan 8.150 nan 0.000 0.443 1304 I N -1.327 119.114 120.570 -0.216 0.000 2.226 1304 I HA -0.267 3.922 4.170 0.032 0.000 0.245 1304 I C 2.612 178.770 176.117 0.068 0.000 1.100 1304 I CA 1.613 62.803 61.300 -0.183 0.000 1.374 1304 I CB -0.550 37.359 38.000 -0.151 0.000 1.057 1304 I HN 0.516 nan 8.210 nan 0.000 0.413 1305 H N 1.495 120.568 119.070 0.004 0.000 2.353 1305 H HA -0.190 4.385 4.556 0.032 0.000 0.300 1305 H C 2.131 177.503 175.328 0.072 0.000 1.090 1305 H CA 1.794 57.859 56.048 0.028 0.000 1.327 1305 H CB 0.241 30.009 29.762 0.011 0.000 1.383 1305 H HN 0.078 nan 8.280 nan 0.000 0.508 1306 K N 1.080 121.625 120.400 0.241 0.000 2.062 1306 K HA -0.125 4.214 4.320 0.032 0.000 0.205 1306 K C 2.225 178.937 176.600 0.186 0.000 1.051 1306 K CA 1.545 57.959 56.287 0.212 0.000 0.941 1306 K CB -0.203 32.416 32.500 0.197 0.000 0.719 1306 K HN 0.187 nan 8.250 nan 0.000 0.440 1307 E N -0.299 120.027 120.200 0.211 0.000 2.097 1307 E HA -0.162 4.207 4.350 0.032 0.000 0.196 1307 E C 1.537 178.283 176.600 0.245 0.000 1.000 1307 E CA 2.314 58.870 56.400 0.260 0.000 0.804 1307 E CB -0.524 29.415 29.700 0.398 0.000 0.740 1307 E HN 0.379 nan 8.360 nan 0.000 0.454 1308 T N 0.858 115.523 114.554 0.186 0.000 2.708 1308 T HA -0.135 4.235 4.350 0.032 0.000 0.266 1308 T C 1.532 176.395 174.700 0.272 0.000 1.037 1308 T CA 1.465 63.683 62.100 0.195 0.000 1.146 1308 T CB -0.293 68.592 68.868 0.029 0.000 0.865 1308 T HN 0.301 nan 8.240 nan 0.000 0.435 1309 E N 1.039 121.317 120.200 0.130 0.000 2.058 1309 E HA -0.079 4.290 4.350 0.032 0.000 0.194 1309 E C 2.300 179.040 176.600 0.234 0.000 0.997 1309 E CA 0.978 57.460 56.400 0.137 0.000 0.801 1309 E CB -0.379 29.374 29.700 0.088 0.000 0.746 1309 E HN 0.440 nan 8.360 nan 0.000 0.450 1310 L N 0.696 122.053 121.223 0.223 0.000 2.141 1310 L HA -0.150 4.209 4.340 0.032 0.000 0.209 1310 L C 2.521 179.571 176.870 0.301 0.000 1.094 1310 L CA 0.622 55.593 54.840 0.217 0.000 0.763 1310 L CB -0.306 41.851 42.059 0.163 0.000 0.908 1310 L HN 0.126 nan 8.230 nan 0.000 0.437 1311 L N -1.542 119.920 121.223 0.398 0.000 2.093 1311 L HA -0.242 4.117 4.340 0.032 0.000 0.208 1311 L C 2.612 179.899 176.870 0.694 0.000 1.085 1311 L CA 1.223 56.414 54.840 0.585 0.000 0.755 1311 L CB -0.561 41.816 42.059 0.530 0.000 0.904 1311 L HN 0.219 nan 8.230 nan 0.000 0.435 1312 Y N 1.048 121.587 120.300 0.399 0.000 2.128 1312 Y HA -0.332 4.237 4.550 0.032 0.000 0.284 1312 Y C 2.687 178.600 175.900 0.021 0.000 1.154 1312 Y CA 2.142 60.195 58.100 -0.077 0.000 1.149 1312 Y CB -0.112 38.086 38.460 -0.437 0.000 0.976 1312 Y HN 0.195 nan 8.280 nan 0.000 0.505 1313 E N -0.965 119.292 120.200 0.095 0.000 2.085 1313 E HA -0.335 4.034 4.350 0.032 0.000 0.194 1313 E C 2.112 178.729 176.600 0.028 0.000 0.994 1313 E CA 1.638 58.050 56.400 0.020 0.000 0.801 1313 E CB -0.647 29.131 29.700 0.130 0.000 0.743 1313 E HN 0.738 nan 8.360 nan 0.000 0.453 1314 Y N -0.473 119.821 120.300 -0.011 0.000 2.274 1314 Y HA -0.214 4.357 4.550 0.036 0.000 0.290 1314 Y C 1.746 177.498 175.900 -0.247 0.000 1.145 1314 Y CA 1.897 59.924 58.100 -0.123 0.000 1.203 1314 Y CB 0.147 38.531 38.460 -0.127 0.000 0.984 1314 Y HN 0.244 nan 8.280 nan 0.000 0.533 1315 H N -2.598 116.433 119.070 -0.065 0.000 2.553 1315 H HA 0.007 4.583 4.556 0.032 0.000 0.276 1315 H C 1.591 176.771 175.328 -0.246 0.000 0.979 1315 H CA 0.963 56.935 56.048 -0.125 0.000 1.268 1315 H CB -0.042 29.753 29.762 0.056 0.000 1.450 1315 H HN 0.239 nan 8.280 nan 0.000 0.527 1316 D N 0.146 120.358 120.400 -0.313 0.000 2.117 1316 D HA -0.137 4.523 4.640 0.032 0.000 0.197 1316 D C 1.995 178.152 176.300 -0.237 0.000 0.987 1316 D CA 1.870 55.622 54.000 -0.412 0.000 0.829 1316 D CB -0.001 40.347 40.800 -0.754 0.000 0.961 1316 D HN 0.442 nan 8.370 nan 0.000 0.460 1317 T N -3.739 110.689 114.554 -0.210 0.000 3.148 1317 T HA 0.242 4.611 4.350 0.032 0.000 0.253 1317 T C 1.667 176.251 174.700 -0.192 0.000 1.134 1317 T CA 0.618 62.621 62.100 -0.161 0.000 1.051 1317 T CB -0.034 68.764 68.868 -0.116 0.000 0.959 1317 T HN 0.261 nan 8.240 nan 0.000 0.525 1318 G N 0.648 109.311 108.800 -0.229 0.000 2.153 1318 G HA2 -0.311 3.669 3.960 0.032 0.000 0.252 1318 G HA3 -0.311 3.669 3.960 0.032 0.000 0.252 1318 G C 0.756 175.466 174.900 -0.317 0.000 0.994 1318 G CA 0.618 45.581 45.100 -0.229 0.000 0.698 1318 G HN 0.568 nan 8.290 nan 0.000 0.521 1319 T N 0.137 114.397 114.554 -0.490 0.000 2.937 1319 T HA 0.424 4.794 4.350 0.032 0.000 0.260 1319 T C 1.787 175.979 174.700 -0.847 0.000 1.051 1319 T CA 1.142 62.855 62.100 -0.644 0.000 1.141 1319 T CB 0.044 68.449 68.868 -0.773 0.000 0.879 1319 T HN 1.494 nan 8.240 nan 0.000 0.459 1320 A N 1.268 123.402 122.820 -1.144 0.000 2.524 1320 A HA 0.319 4.659 4.320 0.032 0.000 0.250 1320 A C 1.472 178.870 177.584 -0.311 0.000 1.078 1320 A CA -0.190 51.382 52.037 -0.775 0.000 0.761 1320 A CB -0.444 17.971 19.000 -0.975 0.000 1.012 1320 A HN 0.442 nan 8.150 nan 0.000 0.500 1321 I N 2.477 122.977 120.570 -0.117 0.000 2.145 1321 I HA -0.333 3.856 4.170 0.032 0.000 0.244 1321 I C 2.152 178.275 176.117 0.010 0.000 1.075 1321 I CA 2.365 63.648 61.300 -0.028 0.000 1.332 1321 I CB -0.376 37.664 38.000 0.066 0.000 1.033 1321 I HN 0.897 nan 8.210 nan 0.000 0.410 1322 I N -1.377 119.249 120.570 0.094 0.000 3.334 1322 I HA -0.085 4.104 4.170 0.032 0.000 0.282 1322 I C 2.128 178.321 176.117 0.128 0.000 1.313 1322 I CA 1.217 62.597 61.300 0.134 0.000 1.396 1322 I CB -0.356 37.774 38.000 0.216 0.000 1.054 1322 I HN 0.199 nan 8.210 nan 0.000 0.495 1323 S N -0.467 115.280 115.700 0.078 0.000 2.524 1323 S HA 0.248 4.737 4.470 0.032 0.000 0.215 1323 S C 0.886 175.468 174.600 -0.030 0.000 0.986 1323 S CA -0.534 57.698 58.200 0.054 0.000 0.911 1323 S CB -0.035 63.190 63.200 0.043 0.000 0.805 1323 S HN 0.411 nan 8.310 nan 0.000 0.501 1335 D N 2.285 122.720 120.400 0.059 0.000 2.780 1335 D HA 0.463 5.122 4.640 0.032 0.000 0.242 1335 D C -1.603 174.743 176.300 0.076 0.000 1.135 1335 D CA -0.834 53.202 54.000 0.061 0.000 0.859 1335 D CB 2.542 43.370 40.800 0.047 0.000 1.530 1335 D HN 0.245 nan 8.370 nan 0.000 0.493 1336 P HA 0.184 nan 4.420 nan 0.000 0.279 1336 P C 0.497 177.859 177.300 0.104 0.000 1.237 1336 P CA -0.031 63.119 63.100 0.084 0.000 0.888 1336 P CB 0.995 32.738 31.700 0.072 0.000 1.324 1337 N N 0.694 119.479 118.700 0.143 0.000 2.515 1337 N HA 0.061 4.821 4.740 0.032 0.000 0.191 1337 N C 1.178 176.856 175.510 0.280 0.000 1.182 1337 N CA 1.213 54.375 53.050 0.187 0.000 0.879 1337 N CB -0.083 38.539 38.487 0.226 0.000 0.984 1337 N HN 0.249 nan 8.380 nan 0.000 0.453 1338 G N 0.379 109.323 108.800 0.240 0.000 2.157 1338 G HA2 -0.234 3.746 3.960 0.032 0.000 0.239 1338 G HA3 -0.234 3.746 3.960 0.032 0.000 0.239 1338 G C -0.022 175.104 174.900 0.377 0.000 0.982 1338 G CA -0.272 44.999 45.100 0.286 0.000 0.650 1338 G HN 0.235 nan 8.290 nan 0.000 0.527 1339 L N 0.921 122.305 121.223 0.269 0.000 2.399 1339 L HA 0.474 4.834 4.340 0.032 0.000 0.265 1339 L C -1.766 175.160 176.870 0.093 0.000 1.089 1339 L CA -2.356 52.555 54.840 0.118 0.000 0.802 1339 L CB 1.093 43.219 42.059 0.111 0.000 1.180 1339 L HN -0.146 nan 8.230 nan 0.000 0.454 1340 P HA -0.043 nan 4.420 nan 0.000 0.265 1340 P C -0.788 176.557 177.300 0.075 0.000 1.193 1340 P CA -0.076 63.023 63.100 -0.002 0.000 0.765 1340 P CB 0.334 31.955 31.700 -0.133 0.000 0.823 1341 K N 2.608 123.042 120.400 0.056 0.000 2.511 1341 K HA 0.082 4.421 4.320 0.032 0.000 0.280 1341 K C 1.323 177.978 176.600 0.090 0.000 1.008 1341 K CA 1.247 57.565 56.287 0.051 0.000 1.050 1341 K CB -0.612 31.912 32.500 0.042 0.000 0.889 1341 K HN 0.791 nan 8.250 nan 0.000 0.484 1342 G N 4.407 113.203 108.800 -0.006 0.000 2.267 1342 G HA2 -0.354 3.625 3.960 0.032 0.000 0.257 1342 G HA3 -0.354 3.625 3.960 0.032 0.000 0.257 1342 G C 0.556 175.335 174.900 -0.201 0.000 0.998 1342 G CA 0.445 45.544 45.100 -0.002 0.000 0.620 1342 G HN 0.738 nan 8.290 nan 0.000 0.529 1343 F N 1.630 121.358 119.950 -0.371 0.000 2.095 1343 F HA -0.056 4.490 4.527 0.031 0.000 0.298 1343 F C 2.696 178.383 175.800 -0.188 0.000 1.104 1343 F CA 2.563 60.283 58.000 -0.467 0.000 1.232 1343 F CB -0.737 38.152 39.000 -0.185 0.000 0.987 1343 F HN 0.290 nan 8.300 nan 0.000 0.475 1344 c N 0.476 118.867 118.600 -0.348 0.000 2.429 1344 c HA -0.167 4.423 4.570 0.032 0.000 0.277 1344 c C 2.671 176.728 174.090 -0.055 0.000 1.262 1344 c CA 1.485 57.634 56.329 -0.299 0.000 1.733 1344 c CB -1.752 40.730 42.510 -0.046 0.000 2.010 1344 c HN 0.587 nan 8.230 nan 0.000 0.483 1345 H N 0.602 119.653 119.070 -0.032 0.000 2.319 1345 H HA -0.142 4.433 4.556 0.032 0.000 0.299 1345 H C 2.444 177.803 175.328 0.052 0.000 1.092 1345 H CA 1.344 57.432 56.048 0.067 0.000 1.302 1345 H CB -0.146 29.702 29.762 0.142 0.000 1.373 1345 H HN 0.516 nan 8.280 nan 0.000 0.497 1346 A N 0.640 123.524 122.820 0.106 0.000 1.933 1346 A HA -0.131 4.208 4.320 0.032 0.000 0.218 1346 A C 2.631 180.262 177.584 0.079 0.000 1.175 1346 A CA 1.471 53.576 52.037 0.112 0.000 0.628 1346 A CB -0.736 18.330 19.000 0.110 0.000 0.814 1346 A HN 0.210 nan 8.150 nan 0.000 0.444 1347 V N -0.261 119.606 119.914 -0.078 0.000 2.358 1347 V HA -0.301 3.838 4.120 0.032 0.000 0.246 1347 V C 2.647 178.865 176.094 0.206 0.000 1.047 1347 V CA 2.286 64.566 62.300 -0.033 0.000 1.035 1347 V CB -0.841 30.745 31.823 -0.394 0.000 0.658 1347 V HN 0.656 nan 8.190 nan 0.000 0.452 1348 Q N -0.463 119.461 119.800 0.206 0.000 2.084 1348 Q HA -0.217 4.142 4.340 0.032 0.000 0.202 1348 Q C 2.451 178.634 176.000 0.305 0.000 0.978 1348 Q CA 1.767 57.741 55.803 0.284 0.000 0.844 1348 Q CB -0.226 28.627 28.738 0.192 0.000 0.898 1348 Q HN 0.560 nan 8.270 nan 0.000 0.426 1349 R N -0.226 120.422 120.500 0.247 0.000 2.073 1349 R HA -0.063 4.297 4.340 0.032 0.000 0.234 1349 R C 2.520 178.958 176.300 0.229 0.000 1.134 1349 R CA 1.496 57.740 56.100 0.240 0.000 0.952 1349 R CB -0.223 30.209 30.300 0.219 0.000 0.850 1349 R HN 0.076 nan 8.270 nan 0.000 0.433 1350 S N 0.445 116.269 115.700 0.207 0.000 2.382 1350 S HA -0.151 4.339 4.470 0.032 0.000 0.228 1350 S C 1.511 176.278 174.600 0.278 0.000 1.027 1350 S CA 1.118 59.405 58.200 0.145 0.000 0.991 1350 S CB -0.276 63.033 63.200 0.181 0.000 0.823 1350 S HN 0.251 nan 8.310 nan 0.000 0.469 1351 F N 1.991 122.145 119.950 0.339 0.000 2.134 1351 F HA -0.059 4.488 4.527 0.033 0.000 0.299 1351 F C 1.848 177.833 175.800 0.309 0.000 1.097 1351 F CA 1.129 59.403 58.000 0.457 0.000 1.264 1351 F CB -0.293 39.011 39.000 0.507 0.000 1.001 1351 F HN 0.117 nan 8.300 nan 0.000 0.479 1352 I N 0.068 120.840 120.570 0.336 0.000 2.264 1352 I HA -0.326 3.863 4.170 0.032 0.000 0.248 1352 I C 1.945 178.067 176.117 0.009 0.000 1.111 1352 I CA 1.480 62.865 61.300 0.140 0.000 1.382 1352 I CB -0.552 37.545 38.000 0.162 0.000 1.060 1352 I HN 0.098 nan 8.210 nan 0.000 0.418 1353 D N 0.138 120.564 120.400 0.043 0.000 2.117 1353 D HA -0.190 4.469 4.640 0.032 0.000 0.197 1353 D C 2.121 178.324 176.300 -0.161 0.000 0.987 1353 D CA 1.546 55.528 54.000 -0.030 0.000 0.829 1353 D CB -0.396 40.372 40.800 -0.053 0.000 0.961 1353 D HN 0.383 nan 8.370 nan 0.000 0.460 1354 Y N 1.256 121.496 120.300 -0.100 0.000 2.128 1354 Y HA -0.206 4.365 4.550 0.034 0.000 0.284 1354 Y C 2.551 178.202 175.900 -0.417 0.000 1.154 1354 Y CA 1.321 59.310 58.100 -0.186 0.000 1.149 1354 Y CB -0.109 38.256 38.460 -0.158 0.000 0.976 1354 Y HN -0.111 nan 8.280 nan 0.000 0.505 1355 K N 0.756 120.830 120.400 -0.545 0.000 2.020 1355 K HA -0.278 4.061 4.320 0.032 0.000 0.212 1355 K C 1.514 177.728 176.600 -0.642 0.000 1.050 1355 K CA 2.352 57.981 56.287 -1.097 0.000 0.929 1355 K CB -0.341 31.625 32.500 -0.891 0.000 0.714 1355 K HN 0.323 nan 8.250 nan 0.000 0.443 1356 N N 0.307 118.797 118.700 -0.350 0.000 2.309 1356 N HA -0.117 4.642 4.740 0.032 0.000 0.182 1356 N C 1.666 177.089 175.510 -0.146 0.000 1.018 1356 N CA 1.311 54.229 53.050 -0.220 0.000 0.876 1356 N CB -0.052 38.342 38.487 -0.154 0.000 0.972 1356 N HN 0.277 nan 8.380 nan 0.000 0.434 1357 M N 0.179 119.706 119.600 -0.121 0.000 2.132 1357 M HA -0.089 4.411 4.480 0.032 0.000 0.263 1357 M C 1.518 177.797 176.300 -0.035 0.000 1.065 1357 M CA 1.558 56.825 55.300 -0.055 0.000 1.122 1357 M CB 0.003 32.592 32.600 -0.018 0.000 1.365 1357 M HN 0.112 nan 8.290 nan 0.000 0.411 1358 I N 0.195 120.728 120.570 -0.062 0.000 2.286 1358 I HA -0.253 3.936 4.170 0.032 0.000 0.245 1358 I C 1.804 177.933 176.117 0.018 0.000 1.104 1358 I CA 0.601 61.921 61.300 0.033 0.000 1.397 1358 I CB -0.254 37.816 38.000 0.116 0.000 1.072 1358 I HN 0.275 nan 8.210 nan 0.000 0.417 1359 L N 0.578 121.741 121.223 -0.100 0.000 2.478 1359 L HA 0.108 4.467 4.340 0.032 0.000 0.223 1359 L C 1.700 178.547 176.870 -0.039 0.000 1.140 1359 L CA 1.128 55.929 54.840 -0.064 0.000 0.842 1359 L CB -1.266 40.699 42.059 -0.155 0.000 0.953 1359 L HN 0.434 nan 8.230 nan 0.000 0.452 1360 G N -0.949 107.825 108.800 -0.043 0.000 2.160 1360 G HA2 -0.331 3.648 3.960 0.032 0.000 0.251 1360 G HA3 -0.331 3.648 3.960 0.032 0.000 0.251 1360 G C 0.869 175.745 174.900 -0.041 0.000 1.008 1360 G CA 0.735 45.817 45.100 -0.030 0.000 0.724 1360 G HN 0.399 nan 8.290 nan 0.000 0.514 1361 T N -2.220 112.294 114.554 -0.066 0.000 3.092 1361 T HA 0.555 4.924 4.350 0.032 0.000 0.258 1361 T C 1.703 176.361 174.700 -0.070 0.000 1.031 1361 T CA 1.050 63.104 62.100 -0.077 0.000 0.925 1361 T CB 0.358 69.161 68.868 -0.108 0.000 1.036 1361 T HN 1.081 nan 8.240 nan 0.000 0.544 1362 S N 0.916 116.597 115.700 -0.032 0.000 2.354 1362 S HA 0.609 5.098 4.470 0.032 0.000 0.209 1362 S C 0.186 174.836 174.600 0.084 0.000 1.248 1362 S CA -0.554 57.661 58.200 0.026 0.000 1.211 1362 S CB -0.157 63.058 63.200 0.025 0.000 0.896 1362 S HN 0.177 nan 8.310 nan 0.000 0.447 1363 V N 2.482 122.418 119.914 0.036 0.000 2.680 1363 V HA 0.396 4.536 4.120 0.032 0.000 0.309 1363 V C -0.200 175.886 176.094 -0.012 0.000 1.052 1363 V CA -0.817 61.483 62.300 -0.000 0.000 0.908 1363 V CB 1.751 33.530 31.823 -0.073 0.000 1.001 1363 V HN 0.915 nan 8.190 nan 0.000 0.431 1364 N N 4.438 123.119 118.700 -0.031 0.000 2.375 1364 N HA -0.029 4.730 4.740 0.032 0.000 0.220 1364 N C 0.929 176.388 175.510 -0.085 0.000 1.170 1364 N CA 0.062 53.086 53.050 -0.044 0.000 0.833 1364 N CB 0.035 38.504 38.487 -0.030 0.000 1.069 1364 N HN 0.603 nan 8.380 nan 0.000 0.479 1365 I N -0.087 120.392 120.570 -0.151 0.000 2.286 1365 I HA -0.064 4.126 4.170 0.032 0.000 0.248 1365 I C -0.183 175.723 176.117 -0.352 0.000 1.115 1365 I CA 0.893 62.018 61.300 -0.291 0.000 1.392 1365 I CB -0.117 37.618 38.000 -0.442 0.000 1.065 1365 I HN 0.070 nan 8.210 nan 0.000 0.418 1366 Y N 0.348 120.572 120.300 -0.127 0.000 2.326 1366 Y HA 0.235 4.783 4.550 -0.003 0.000 0.337 1366 Y C 1.391 177.181 175.900 -0.183 0.000 1.023 1366 Y CA -0.427 57.570 58.100 -0.171 0.000 1.143 1366 Y CB 1.124 39.344 38.460 -0.400 0.000 1.183 1366 Y HN -0.032 nan 8.280 nan 0.000 0.485 1367 E N 1.379 121.622 120.200 0.072 0.000 2.204 1367 E HA -0.202 4.168 4.350 0.032 0.000 0.194 1367 E C 1.966 178.574 176.600 0.014 0.000 0.989 1367 E CA 1.307 57.734 56.400 0.044 0.000 0.824 1367 E CB -0.028 29.721 29.700 0.082 0.000 0.756 1367 E HN 0.781 nan 8.360 nan 0.000 0.477 1368 H N 0.073 119.066 119.070 -0.129 0.000 2.436 1368 H HA -0.058 4.518 4.556 0.034 0.000 0.294 1368 H C 2.116 177.167 175.328 -0.460 0.000 1.048 1368 H CA 1.433 57.198 56.048 -0.472 0.000 1.353 1368 H CB -0.506 28.599 29.762 -1.095 0.000 1.414 1368 H HN 0.415 nan 8.280 nan 0.000 0.536 1369 I N -0.567 119.496 120.570 -0.845 0.000 2.617 1369 I HA 0.184 4.373 4.170 0.032 0.000 0.256 1369 I C 2.567 178.584 176.117 -0.168 0.000 1.167 1369 I CA 1.044 62.059 61.300 -0.475 0.000 1.469 1369 I CB -0.504 37.245 38.000 -0.418 0.000 1.098 1369 I HN 0.121 nan 8.210 nan 0.000 0.436 1370 G N 1.727 110.458 108.800 -0.116 0.000 2.440 1370 G HA2 -0.220 3.759 3.960 0.032 0.000 0.218 1370 G HA3 -0.220 3.759 3.960 0.032 0.000 0.218 1370 G C 1.715 176.625 174.900 0.017 0.000 1.154 1370 G CA 0.754 45.836 45.100 -0.030 0.000 0.767 1370 G HN 0.397 nan 8.290 nan 0.000 0.552 1371 K N -0.658 119.775 120.400 0.056 0.000 2.147 1371 K HA 0.009 4.349 4.320 0.032 0.000 0.205 1371 K C 2.384 179.072 176.600 0.146 0.000 1.049 1371 K CA 0.542 56.914 56.287 0.142 0.000 0.936 1371 K CB -0.185 32.491 32.500 0.294 0.000 0.722 1371 K HN 0.177 nan 8.250 nan 0.000 0.446 1372 L N 1.625 122.919 121.223 0.120 0.000 2.044 1372 L HA -0.153 4.206 4.340 0.032 0.000 0.205 1372 L C 2.223 179.136 176.870 0.071 0.000 1.075 1372 L CA 1.672 56.585 54.840 0.123 0.000 0.747 1372 L CB -0.627 41.492 42.059 0.100 0.000 0.903 1372 L HN 0.177 nan 8.230 nan 0.000 0.435 1373 Q N -1.173 118.648 119.800 0.034 0.000 2.224 1373 Q HA -0.231 4.129 4.340 0.032 0.000 0.203 1373 Q C 1.887 177.900 176.000 0.023 0.000 0.970 1373 Q CA 1.271 57.089 55.803 0.025 0.000 0.865 1373 Q CB -0.108 28.633 28.738 0.006 0.000 0.922 1373 Q HN 0.378 nan 8.270 nan 0.000 0.445 1374 E N 1.041 121.259 120.200 0.029 0.000 2.158 1374 E HA -0.121 4.249 4.350 0.032 0.000 0.191 1374 E C 1.268 177.880 176.600 0.019 0.000 0.982 1374 E CA 0.853 57.266 56.400 0.022 0.000 0.823 1374 E CB 0.127 29.845 29.700 0.030 0.000 0.766 1374 E HN 0.223 nan 8.360 nan 0.000 0.468 1375 D N -0.221 120.202 120.400 0.037 0.000 2.123 1375 D HA -0.077 4.582 4.640 0.032 0.000 0.200 1375 D C 1.947 178.243 176.300 -0.008 0.000 0.976 1375 D CA 0.688 54.704 54.000 0.025 0.000 0.831 1375 D CB -0.097 40.736 40.800 0.055 0.000 0.974 1375 D HN 0.236 nan 8.370 nan 0.000 0.469 1376 I N 0.995 121.565 120.570 -0.000 0.000 2.163 1376 I HA -0.301 3.889 4.170 0.032 0.000 0.243 1376 I C 2.453 178.509 176.117 -0.102 0.000 1.085 1376 I CA 1.202 62.474 61.300 -0.046 0.000 1.347 1376 I CB -0.156 37.855 38.000 0.018 0.000 1.044 1376 I HN -0.025 nan 8.210 nan 0.000 0.408 1377 K N 1.081 121.449 120.400 -0.052 0.000 2.063 1377 K HA -0.272 4.067 4.320 0.032 0.000 0.208 1377 K C 2.169 178.724 176.600 -0.075 0.000 1.048 1377 K CA 1.767 58.021 56.287 -0.055 0.000 0.928 1377 K CB 0.011 32.498 32.500 -0.021 0.000 0.713 1377 K HN -0.043 nan 8.250 nan 0.000 0.442 1378 K N 0.750 121.115 120.400 -0.060 0.000 2.167 1378 K HA 0.078 4.418 4.320 0.032 0.000 0.203 1378 K C 1.792 178.342 176.600 -0.084 0.000 1.052 1378 K CA 0.791 57.044 56.287 -0.056 0.000 0.956 1378 K CB -0.001 32.481 32.500 -0.031 0.000 0.735 1378 K HN 0.185 nan 8.250 nan 0.000 0.451 1379 I N 0.443 120.946 120.570 -0.112 0.000 2.179 1379 I HA -0.276 3.913 4.170 0.032 0.000 0.242 1379 I C 1.537 177.520 176.117 -0.224 0.000 1.088 1379 I CA 0.790 62.001 61.300 -0.148 0.000 1.357 1379 I CB -0.268 37.633 38.000 -0.164 0.000 1.051 1379 I HN 0.096 nan 8.210 nan 0.000 0.409 1380 I N 0.694 121.073 120.570 -0.319 0.000 2.315 1380 I HA -0.222 3.967 4.170 0.032 0.000 0.248 1380 I C 2.424 178.420 176.117 -0.203 0.000 1.117 1380 I CA 1.594 62.650 61.300 -0.406 0.000 1.404 1380 I CB -1.294 36.410 38.000 -0.492 0.000 1.071 1380 I HN 0.324 nan 8.210 nan 0.000 0.419 1381 E N 0.467 120.589 120.200 -0.130 0.000 2.107 1381 E HA -0.204 4.166 4.350 0.032 0.000 0.191 1381 E C 2.136 178.702 176.600 -0.056 0.000 0.982 1381 E CA 0.714 57.072 56.400 -0.070 0.000 0.809 1381 E CB -0.021 29.650 29.700 -0.048 0.000 0.756 1381 E HN 0.396 nan 8.360 nan 0.000 0.459 1382 K N 0.391 120.752 120.400 -0.064 0.000 2.155 1382 K HA -0.052 4.287 4.320 0.032 0.000 0.203 1382 K C 1.739 178.312 176.600 -0.044 0.000 1.052 1382 K CA 1.235 57.494 56.287 -0.046 0.000 0.948 1382 K CB 0.091 32.564 32.500 -0.044 0.000 0.728 1382 K HN 0.120 nan 8.250 nan 0.000 0.448 1383 G N 0.512 109.270 108.800 -0.069 0.000 3.189 1383 G HA2 0.039 4.019 3.960 0.032 0.000 0.225 1383 G HA3 0.039 4.019 3.960 0.032 0.000 0.225 1383 G C -0.030 174.852 174.900 -0.031 0.000 1.159 1383 G CA 0.306 45.374 45.100 -0.054 0.000 0.763 1383 G HN 0.414 nan 8.290 nan 0.000 0.549 1384 T N -1.571 112.966 114.554 -0.029 0.000 2.906 1384 T HA 0.652 5.022 4.350 0.032 0.000 0.295 1384 T C -3.186 171.520 174.700 0.010 0.000 1.075 1384 T CA -1.834 60.270 62.100 0.007 0.000 1.005 1384 T CB 2.684 71.567 68.868 0.024 0.000 1.136 1384 T HN -0.114 nan 8.240 nan 0.000 0.498 1385 P HA 0.155 nan 4.420 nan 0.000 0.268 1385 P C -0.509 176.802 177.300 0.018 0.000 1.204 1385 P CA -0.269 62.842 63.100 0.019 0.000 0.768 1385 P CB 0.607 32.322 31.700 0.024 0.000 0.842 1386 Q N 1.735 121.542 119.800 0.012 0.000 2.373 1386 Q HA 0.126 4.485 4.340 0.032 0.000 0.255 1386 Q C -0.201 175.808 176.000 0.015 0.000 0.980 1386 Q CA -0.125 55.685 55.803 0.011 0.000 0.882 1386 Q CB 0.643 29.385 28.738 0.005 0.000 1.249 1386 Q HN 0.440 nan 8.270 nan 0.000 0.438 1398 T N 1.024 115.588 114.554 0.017 0.000 3.215 1398 T HA 0.110 4.479 4.350 0.032 0.000 0.254 1398 T C 1.151 175.879 174.700 0.047 0.000 1.149 1398 T CA 0.465 62.582 62.100 0.028 0.000 1.042 1398 T CB -0.216 68.663 68.868 0.018 0.000 0.966 1398 T HN 0.692 nan 8.240 nan 0.000 0.534 1399 E N 1.396 121.622 120.200 0.043 0.000 2.158 1399 E HA -0.058 4.311 4.350 0.032 0.000 0.191 1399 E C 1.797 178.445 176.600 0.081 0.000 0.982 1399 E CA 0.611 57.044 56.400 0.055 0.000 0.823 1399 E CB -0.137 29.587 29.700 0.040 0.000 0.766 1399 E HN 0.408 nan 8.360 nan 0.000 0.468 1400 N N 0.605 119.350 118.700 0.075 0.000 2.171 1400 N HA -0.100 4.659 4.740 0.032 0.000 0.184 1400 N C 1.873 177.481 175.510 0.163 0.000 1.021 1400 N CA 0.618 53.728 53.050 0.100 0.000 0.854 1400 N CB -0.167 38.355 38.487 0.058 0.000 0.994 1400 N HN -0.053 nan 8.380 nan 0.000 0.426 1401 V N 1.691 121.686 119.914 0.134 0.000 2.332 1401 V HA -0.223 3.917 4.120 0.032 0.000 0.248 1401 V C 1.756 178.034 176.094 0.308 0.000 1.055 1401 V CA 1.403 63.825 62.300 0.204 0.000 1.038 1401 V CB -0.520 31.371 31.823 0.113 0.000 0.651 1401 V HN 0.369 nan 8.190 nan 0.000 0.450 1402 N N 0.724 119.552 118.700 0.213 0.000 2.120 1402 N HA -0.108 4.651 4.740 0.032 0.000 0.188 1402 N C 1.889 177.551 175.510 0.254 0.000 1.024 1402 N CA 1.722 54.903 53.050 0.218 0.000 0.852 1402 N CB -0.490 38.077 38.487 0.133 0.000 1.003 1402 N HN 0.507 nan 8.380 nan 0.000 0.424 1403 A N 0.007 122.955 122.820 0.213 0.000 1.929 1403 A HA -0.110 4.229 4.320 0.032 0.000 0.216 1403 A C 2.148 179.860 177.584 0.213 0.000 1.176 1403 A CA 0.899 53.042 52.037 0.177 0.000 0.628 1403 A CB -1.013 18.070 19.000 0.138 0.000 0.816 1403 A HN 0.472 nan 8.150 nan 0.000 0.444 1404 W N -0.054 121.304 121.300 0.097 0.000 2.355 1404 W HA -0.201 4.477 4.660 0.031 0.000 0.309 1404 W C 2.222 178.809 176.519 0.113 0.000 1.206 1404 W CA 1.910 59.309 57.345 0.091 0.000 1.284 1404 W CB -0.464 29.055 29.460 0.097 0.000 1.145 1404 W HN 0.536 nan 8.180 nan 0.000 0.502 1405 W N 1.874 123.232 121.300 0.097 0.000 2.335 1405 W HA -0.284 4.396 4.660 0.034 0.000 0.311 1405 W C 1.844 178.289 176.519 -0.123 0.000 1.213 1405 W CA 2.275 59.565 57.345 -0.093 0.000 1.274 1405 W CB -0.684 28.806 29.460 0.050 0.000 1.148 1405 W HN -0.072 nan 8.180 nan 0.000 0.498 1406 K N -0.216 120.127 120.400 -0.096 0.000 2.103 1406 K HA -0.151 4.188 4.320 0.032 0.000 0.207 1406 K C 2.313 178.747 176.600 -0.276 0.000 1.048 1406 K CA 1.697 57.878 56.287 -0.177 0.000 0.930 1406 K CB -0.888 31.624 32.500 0.019 0.000 0.716 1406 K HN 0.270 nan 8.250 nan 0.000 0.444 1407 G N 1.312 109.963 108.800 -0.248 0.000 2.484 1407 G HA2 -0.154 3.825 3.960 0.032 0.000 0.218 1407 G HA3 -0.154 3.825 3.960 0.032 0.000 0.218 1407 G C 1.420 176.102 174.900 -0.364 0.000 1.130 1407 G CA 0.769 45.722 45.100 -0.245 0.000 0.784 1407 G HN 0.452 nan 8.290 nan 0.000 0.543 1408 I N -3.023 117.194 120.570 -0.588 0.000 4.057 1408 I HA 0.395 4.584 4.170 0.032 0.000 0.334 1408 I C 1.881 177.618 176.117 -0.634 0.000 1.308 1408 I CA 0.324 61.258 61.300 -0.610 0.000 1.125 1408 I CB 0.305 37.814 38.000 -0.818 0.000 1.034 1408 I HN 0.094 nan 8.210 nan 0.000 0.401 1409 E N 2.057 121.753 120.200 -0.839 0.000 2.097 1409 E HA -0.255 4.115 4.350 0.032 0.000 0.196 1409 E C 2.036 178.512 176.600 -0.206 0.000 1.000 1409 E CA 1.495 57.419 56.400 -0.793 0.000 0.804 1409 E CB 0.084 29.363 29.700 -0.702 0.000 0.740 1409 E HN 0.414 nan 8.360 nan 0.000 0.454 1410 R N 0.455 120.859 120.500 -0.160 0.000 2.073 1410 R HA -0.140 4.219 4.340 0.032 0.000 0.234 1410 R C 2.285 178.596 176.300 0.017 0.000 1.134 1410 R CA 1.450 57.537 56.100 -0.023 0.000 0.952 1410 R CB -0.724 29.550 30.300 -0.043 0.000 0.850 1410 R HN 0.420 nan 8.270 nan 0.000 0.433 1411 E N 0.024 120.188 120.200 -0.060 0.000 2.077 1411 E HA -0.156 4.213 4.350 0.032 0.000 0.193 1411 E C 1.858 178.465 176.600 0.013 0.000 0.989 1411 E CA 1.036 57.412 56.400 -0.040 0.000 0.800 1411 E CB 0.135 29.782 29.700 -0.090 0.000 0.746 1411 E HN 0.060 nan 8.360 nan 0.000 0.452 1412 M N -0.094 119.525 119.600 0.031 0.000 2.086 1412 M HA -0.189 4.310 4.480 0.032 0.000 0.261 1412 M C 2.172 178.720 176.300 0.412 0.000 1.067 1412 M CA 1.249 56.674 55.300 0.208 0.000 1.116 1412 M CB -1.590 31.125 32.600 0.191 0.000 1.348 1412 M HN 0.429 nan 8.290 nan 0.000 0.407 1413 W N 2.075 123.471 121.300 0.160 0.000 2.342 1413 W HA -0.256 4.423 4.660 0.031 0.000 0.297 1413 W C 1.103 177.573 176.519 -0.080 0.000 1.213 1413 W CA 1.655 58.900 57.345 -0.166 0.000 1.251 1413 W CB -0.265 28.981 29.460 -0.356 0.000 1.136 1413 W HN 0.299 nan 8.180 nan 0.000 0.526 1414 D N 0.267 120.630 120.400 -0.061 0.000 2.218 1414 D HA -0.134 4.525 4.640 0.032 0.000 0.204 1414 D C 2.282 178.514 176.300 -0.114 0.000 0.976 1414 D CA 1.590 55.523 54.000 -0.113 0.000 0.853 1414 D CB -0.673 40.113 40.800 -0.023 0.000 0.939 1414 D HN 0.159 nan 8.370 nan 0.000 0.481 1415 A N 0.405 123.196 122.820 -0.047 0.000 1.933 1415 A HA -0.125 4.214 4.320 0.032 0.000 0.218 1415 A C 2.475 180.004 177.584 -0.093 0.000 1.175 1415 A CA 1.033 53.089 52.037 0.032 0.000 0.628 1415 A CB -0.554 18.505 19.000 0.098 0.000 0.814 1415 A HN 0.154 nan 8.150 nan 0.000 0.444 1416 V N 0.210 119.945 119.914 -0.298 0.000 2.270 1416 V HA -0.246 3.894 4.120 0.032 0.000 0.245 1416 V C 2.625 178.423 176.094 -0.494 0.000 1.043 1416 V CA 2.095 64.100 62.300 -0.492 0.000 1.014 1416 V CB -0.823 30.412 31.823 -0.979 0.000 0.645 1416 V HN 0.531 nan 8.190 nan 0.000 0.447 1417 R N -0.478 119.666 120.500 -0.593 0.000 2.091 1417 R HA -0.223 4.136 4.340 0.032 0.000 0.238 1417 R C 2.432 178.626 176.300 -0.177 0.000 1.136 1417 R CA 1.794 57.683 56.100 -0.351 0.000 0.959 1417 R CB -1.231 28.894 30.300 -0.292 0.000 0.856 1417 R HN 0.604 nan 8.270 nan 0.000 0.437 1418 c N 0.873 119.396 118.600 -0.129 0.000 2.413 1418 c HA -0.053 4.537 4.570 0.032 0.000 0.276 1418 c C 2.977 177.040 174.090 -0.043 0.000 1.236 1418 c CA 1.058 57.372 56.329 -0.025 0.000 1.735 1418 c CB -0.986 41.565 42.510 0.069 0.000 2.031 1418 c HN 0.571 nan 8.230 nan 0.000 0.474 1419 A N 0.098 122.795 122.820 -0.205 0.000 1.972 1419 A HA -0.026 4.313 4.320 0.032 0.000 0.219 1419 A C 2.078 179.521 177.584 -0.236 0.000 1.169 1419 A CA 1.836 53.639 52.037 -0.389 0.000 0.635 1419 A CB -0.658 17.924 19.000 -0.695 0.000 0.810 1419 A HN 0.699 nan 8.150 nan 0.000 0.446 1420 I N -0.902 119.559 120.570 -0.182 0.000 2.353 1420 I HA -0.169 4.020 4.170 0.032 0.000 0.248 1420 I C 2.471 178.501 176.117 -0.145 0.000 1.119 1420 I CA 1.482 62.677 61.300 -0.175 0.000 1.417 1420 I CB -0.505 37.441 38.000 -0.090 0.000 1.078 1420 I HN 0.199 nan 8.210 nan 0.000 0.421 1421 T N 0.690 115.205 114.554 -0.066 0.000 2.759 1421 T HA -0.183 4.187 4.350 0.032 0.000 0.269 1421 T C 1.763 176.455 174.700 -0.014 0.000 1.042 1421 T CA 1.299 63.399 62.100 0.000 0.000 1.140 1421 T CB -0.151 68.721 68.868 0.008 0.000 0.864 1421 T HN 0.283 nan 8.240 nan 0.000 0.455 1422 K N 0.440 120.807 120.400 -0.055 0.000 2.504 1422 K HA 0.161 4.500 4.320 0.032 0.000 0.195 1422 K C 1.800 178.327 176.600 -0.122 0.000 1.036 1422 K CA 0.407 56.662 56.287 -0.053 0.000 0.984 1422 K CB -0.152 32.337 32.500 -0.018 0.000 0.788 1422 K HN 0.383 nan 8.250 nan 0.000 0.488 1423 I N 1.025 121.464 120.570 -0.218 0.000 2.394 1423 I HA -0.266 3.924 4.170 0.032 0.000 0.251 1423 I C 1.351 177.437 176.117 -0.053 0.000 1.136 1423 I CA 1.072 62.163 61.300 -0.347 0.000 1.425 1423 I CB -0.323 37.247 38.000 -0.716 0.000 1.079 1423 I HN 0.237 nan 8.210 nan 0.000 0.425 1424 N N 1.068 119.824 118.700 0.094 0.000 2.184 1424 N HA -0.245 4.514 4.740 0.032 0.000 0.190 1424 N C 1.405 176.945 175.510 0.051 0.000 1.011 1424 N CA 1.250 54.372 53.050 0.121 0.000 0.867 1424 N CB -0.124 38.413 38.487 0.082 0.000 0.993 1424 N HN 0.311 nan 8.380 nan 0.000 0.433 1425 K N 0.045 120.454 120.400 0.015 0.000 2.555 1425 K HA 0.018 4.357 4.320 0.032 0.000 0.193 1425 K C 1.075 177.683 176.600 0.014 0.000 1.032 1425 K CA 0.744 57.037 56.287 0.010 0.000 1.004 1425 K CB 0.284 32.786 32.500 0.003 0.000 0.804 1425 K HN 0.120 nan 8.250 nan 0.000 0.496 1426 K N -1.128 119.283 120.400 0.018 0.000 2.589 1426 K HA 0.124 4.463 4.320 0.032 0.000 0.218 1426 K C -0.658 175.987 176.600 0.075 0.000 1.468 1426 K CA -0.093 56.210 56.287 0.027 0.000 1.002 1426 K CB 0.854 33.334 32.500 -0.033 0.000 1.200 1426 K HN -0.074 nan 8.250 nan 0.000 0.614 1427 N N 0.759 119.518 118.700 0.099 0.000 2.336 1427 N HA 0.092 4.851 4.740 0.032 0.000 0.290 1427 N C -1.055 174.532 175.510 0.128 0.000 1.058 1427 N CA -0.150 53.002 53.050 0.170 0.000 0.865 1427 N CB 1.422 40.097 38.487 0.313 0.000 1.581 1427 N HN 0.055 nan 8.380 nan 0.000 0.480 1428 N N 2.639 121.395 118.700 0.094 0.000 2.220 1428 N HA 0.007 4.767 4.740 0.032 0.000 0.195 1428 N C 0.422 175.937 175.510 0.009 0.000 1.123 1428 N CA -0.074 52.996 53.050 0.034 0.000 0.874 1428 N CB 0.044 38.545 38.487 0.025 0.000 0.995 1428 N HN 0.475 nan 8.380 nan 0.000 0.498 1429 N N 0.321 119.053 118.700 0.055 0.000 2.149 1429 N HA -0.083 4.676 4.740 0.032 0.000 0.188 1429 N C 0.089 175.545 175.510 -0.090 0.000 1.019 1429 N CA 1.008 54.079 53.050 0.035 0.000 0.857 1429 N CB 0.159 38.739 38.487 0.156 0.000 0.997 1429 N HN 0.234 nan 8.380 nan 0.000 0.426 1430 S N -1.347 114.178 115.700 -0.292 0.000 2.703 1430 S HA 0.421 4.911 4.470 0.032 0.000 0.273 1430 S C -1.919 172.259 174.600 -0.703 0.000 1.178 1430 S CA -0.763 57.134 58.200 -0.506 0.000 0.838 1430 S CB 0.685 63.521 63.200 -0.607 0.000 1.178 1430 S HN -0.082 nan 8.310 nan 0.000 0.494 1431 I N 2.679 122.906 120.570 -0.571 0.000 2.353 1431 I HA 0.404 4.593 4.170 0.032 0.000 0.293 1431 I C -1.128 174.670 176.117 -0.533 0.000 0.992 1431 I CA -0.172 60.868 61.300 -0.434 0.000 1.268 1431 I CB 0.387 38.271 38.000 -0.194 0.000 1.387 1431 I HN 0.452 nan 8.210 nan 0.000 0.478 1432 F N 4.842 124.785 119.950 -0.011 0.000 2.402 1432 F HA 0.272 4.820 4.527 0.034 0.000 0.355 1432 F C 1.134 176.927 175.800 -0.012 0.000 1.123 1432 F CA -0.910 57.084 58.000 -0.010 0.000 1.021 1432 F CB 0.719 39.702 39.000 -0.029 0.000 1.160 1432 F HN 0.475 nan 8.300 nan 0.000 0.451 1433 N N 0.518 119.316 118.700 0.163 0.000 2.412 1433 N HA 0.229 4.989 4.740 0.032 0.000 0.184 1433 N C 1.407 176.966 175.510 0.081 0.000 1.101 1433 N CA 0.620 53.726 53.050 0.092 0.000 0.881 1433 N CB 0.381 38.906 38.487 0.064 0.000 0.969 1433 N HN 0.794 nan 8.380 nan 0.000 0.459 1434 G N -0.273 108.589 108.800 0.103 0.000 2.176 1434 G HA2 -0.238 3.741 3.960 0.032 0.000 0.232 1434 G HA3 -0.238 3.741 3.960 0.032 0.000 0.232 1434 G C 0.229 175.150 174.900 0.036 0.000 0.986 1434 G CA 0.319 45.438 45.100 0.032 0.000 0.643 1434 G HN 0.380 nan 8.290 nan 0.000 0.522 1435 D N 0.320 120.776 120.400 0.094 0.000 2.349 1435 D HA 0.247 4.907 4.640 0.032 0.000 0.214 1435 D C 1.906 178.296 176.300 0.150 0.000 1.063 1435 D CA 0.369 54.443 54.000 0.124 0.000 0.847 1435 D CB 0.181 41.047 40.800 0.111 0.000 0.933 1435 D HN 0.451 nan 8.370 nan 0.000 0.513 1436 E N -0.251 120.043 120.200 0.156 0.000 2.153 1436 E HA -0.102 4.268 4.350 0.032 0.000 0.194 1436 E C 1.286 177.985 176.600 0.164 0.000 0.988 1436 E CA 0.768 57.273 56.400 0.175 0.000 0.811 1436 E CB -0.159 29.673 29.700 0.221 0.000 0.746 1436 E HN 0.220 nan 8.360 nan 0.000 0.466 1437 c N 0.332 119.033 118.600 0.169 0.000 2.559 1437 c HA 0.614 5.204 4.570 0.032 0.000 0.300 1437 c C 0.863 175.136 174.090 0.305 0.000 1.288 1437 c CA 0.039 56.484 56.329 0.194 0.000 1.699 1437 c CB -1.408 41.171 42.510 0.115 0.000 1.819 1437 c HN 0.451 nan 8.230 nan 0.000 0.600 1438 G N 0.475 109.434 108.800 0.263 0.000 2.885 1438 G HA2 0.040 4.019 3.960 0.032 0.000 0.685 1438 G HA3 0.040 4.019 3.960 0.032 0.000 0.685 1438 G C 0.152 175.245 174.900 0.322 0.000 1.216 1438 G CA -0.135 45.093 45.100 0.213 0.000 0.790 1438 G HN 0.733 nan 8.290 nan 0.000 0.631 1439 V N -1.159 118.866 119.914 0.184 0.000 2.548 1439 V HA 0.335 4.474 4.120 0.032 0.000 0.249 1439 V C 1.258 177.468 176.094 0.193 0.000 1.055 1439 V CA 2.275 64.697 62.300 0.204 0.000 1.065 1439 V CB -0.213 31.671 31.823 0.103 0.000 0.681 1439 V HN 1.112 nan 8.190 nan 0.000 0.462 1440 S N 1.416 117.078 115.700 -0.063 0.000 2.578 1440 S HA 0.620 5.109 4.470 0.032 0.000 0.301 1440 S C -2.675 171.314 174.600 -1.018 0.000 1.091 1440 S CA -0.946 57.038 58.200 -0.359 0.000 1.032 1440 S CB 1.769 64.843 63.200 -0.210 0.000 1.064 1440 S HN 0.412 nan 8.310 nan 0.000 0.508 1441 P HA 0.215 nan 4.420 nan 0.000 0.269 1441 P C -2.625 174.258 177.300 -0.695 0.000 1.215 1441 P CA -1.064 61.133 63.100 -1.504 0.000 0.780 1441 P CB -0.746 30.525 31.700 -0.715 0.000 0.898 1442 P HA 0.274 nan 4.420 nan 0.000 0.276 1442 P C -0.618 176.657 177.300 -0.042 0.000 1.244 1442 P CA 0.063 63.044 63.100 -0.198 0.000 0.801 1442 P CB 0.780 32.417 31.700 -0.104 0.000 1.006 1449 Q N 1.602 121.257 119.800 -0.243 0.000 2.135 1449 Q HA -0.175 4.184 4.340 0.032 0.000 0.204 1449 Q C 1.661 177.410 176.000 -0.419 0.000 0.981 1449 Q CA 2.207 57.794 55.803 -0.359 0.000 0.856 1449 Q CB 0.238 28.685 28.738 -0.485 0.000 0.902 1449 Q HN 0.502 nan 8.270 nan 0.000 0.425 1450 S N -0.888 114.574 115.700 -0.396 0.000 2.383 1450 S HA -0.129 4.360 4.470 0.032 0.000 0.229 1450 S C 1.906 176.597 174.600 0.150 0.000 1.030 1450 S CA 1.461 59.610 58.200 -0.084 0.000 1.002 1450 S CB -0.590 62.525 63.200 -0.143 0.000 0.829 1450 S HN 0.265 nan 8.310 nan 0.000 0.467 1451 V N 1.600 121.588 119.914 0.124 0.000 2.379 1451 V HA -0.084 4.055 4.120 0.032 0.000 0.245 1451 V C 3.010 179.209 176.094 0.174 0.000 1.044 1451 V CA 1.817 64.215 62.300 0.163 0.000 1.036 1451 V CB -1.082 30.781 31.823 0.067 0.000 0.664 1451 V HN 0.707 nan 8.190 nan 0.000 0.453 1452 S N -1.113 114.677 115.700 0.150 0.000 2.368 1452 S HA -0.218 4.272 4.470 0.032 0.000 0.225 1452 S C 1.725 176.596 174.600 0.453 0.000 1.030 1452 S CA 1.682 60.018 58.200 0.227 0.000 0.999 1452 S CB -0.375 62.921 63.200 0.160 0.000 0.844 1452 S HN 0.655 nan 8.310 nan 0.000 0.459 1453 W N 0.872 122.337 121.300 0.274 0.000 2.358 1453 W HA 0.084 4.767 4.660 0.039 0.000 0.303 1453 W C 2.169 178.986 176.519 0.497 0.000 1.208 1453 W CA -0.060 57.515 57.345 0.383 0.000 1.274 1453 W CB -1.517 28.154 29.460 0.351 0.000 1.138 1453 W HN 0.383 nan 8.180 nan 0.000 0.515 1454 F N 1.485 121.662 119.950 0.379 0.000 2.146 1454 F HA -0.119 4.427 4.527 0.032 0.000 0.298 1454 F C 2.006 177.934 175.800 0.213 0.000 1.096 1454 F CA 1.421 59.513 58.000 0.154 0.000 1.275 1454 F CB -0.735 38.227 39.000 -0.063 0.000 1.008 1454 F HN -0.154 nan 8.300 nan 0.000 0.480 1455 K N 0.156 120.702 120.400 0.242 0.000 2.032 1455 K HA -0.246 4.094 4.320 0.032 0.000 0.209 1455 K C 2.104 178.861 176.600 0.262 0.000 1.048 1455 K CA 1.830 58.254 56.287 0.228 0.000 0.927 1455 K CB -0.361 32.294 32.500 0.257 0.000 0.712 1455 K HN 0.346 nan 8.250 nan 0.000 0.441 1456 E N 0.061 120.472 120.200 0.351 0.000 2.058 1456 E HA -0.248 4.122 4.350 0.032 0.000 0.194 1456 E C 1.837 178.686 176.600 0.415 0.000 0.997 1456 E CA 1.391 58.002 56.400 0.353 0.000 0.801 1456 E CB -0.198 29.790 29.700 0.481 0.000 0.746 1456 E HN 0.410 nan 8.360 nan 0.000 0.450 1457 W N 1.014 122.472 121.300 0.263 0.000 2.302 1457 W HA -0.201 4.476 4.660 0.028 0.000 0.320 1457 W C 2.134 178.685 176.519 0.053 0.000 1.241 1457 W CA 2.645 59.883 57.345 -0.178 0.000 1.264 1457 W CB -0.824 28.317 29.460 -0.531 0.000 1.154 1457 W HN 0.194 nan 8.180 nan 0.000 0.483 1458 G N -0.322 108.740 108.800 0.438 0.000 2.459 1458 G HA2 -0.390 3.590 3.960 0.032 0.000 0.217 1458 G HA3 -0.390 3.590 3.960 0.032 0.000 0.217 1458 G C 1.354 176.328 174.900 0.123 0.000 1.183 1458 G CA 1.264 46.565 45.100 0.335 0.000 0.776 1458 G HN 0.457 nan 8.290 nan 0.000 0.552 1459 E N -0.119 119.958 120.200 -0.204 0.000 2.070 1459 E HA -0.267 4.102 4.350 0.032 0.000 0.197 1459 E C 2.415 178.965 176.600 -0.082 0.000 1.004 1459 E CA 1.537 57.687 56.400 -0.416 0.000 0.805 1459 E CB -0.238 28.906 29.700 -0.926 0.000 0.744 1459 E HN 0.633 nan 8.360 nan 0.000 0.451 1460 Q N -0.340 119.458 119.800 -0.004 0.000 2.030 1460 Q HA -0.218 4.142 4.340 0.032 0.000 0.204 1460 Q C 2.139 178.161 176.000 0.037 0.000 0.986 1460 Q CA 1.863 57.706 55.803 0.067 0.000 0.843 1460 Q CB -0.324 28.526 28.738 0.185 0.000 0.904 1460 Q HN 0.417 nan 8.270 nan 0.000 0.420 1461 F N 0.422 120.239 119.950 -0.222 0.000 2.126 1461 F HA -0.262 4.284 4.527 0.031 0.000 0.299 1461 F C 2.117 177.970 175.800 0.089 0.000 1.096 1461 F CA 1.590 59.497 58.000 -0.155 0.000 1.255 1461 F CB -0.385 38.250 39.000 -0.609 0.000 0.997 1461 F HN 0.206 nan 8.300 nan 0.000 0.479 1462 c N 0.573 119.171 118.600 -0.003 0.000 2.466 1462 c HA -0.060 4.529 4.570 0.032 0.000 0.278 1462 c C 2.780 176.821 174.090 -0.082 0.000 1.288 1462 c CA 0.741 57.042 56.329 -0.047 0.000 1.722 1462 c CB -1.168 41.456 42.510 0.190 0.000 2.017 1462 c HN 0.538 nan 8.230 nan 0.000 0.488 1463 I N 0.969 121.519 120.570 -0.032 0.000 2.142 1463 I HA -0.213 3.976 4.170 0.032 0.000 0.240 1463 I C 2.611 178.680 176.117 -0.080 0.000 1.078 1463 I CA 1.644 62.924 61.300 -0.033 0.000 1.343 1463 I CB -0.625 37.374 38.000 -0.001 0.000 1.046 1463 I HN 0.447 nan 8.210 nan 0.000 0.405 1464 E N 0.415 120.560 120.200 -0.093 0.000 2.085 1464 E HA -0.292 4.078 4.350 0.032 0.000 0.194 1464 E C 2.270 178.826 176.600 -0.074 0.000 0.994 1464 E CA 1.101 57.416 56.400 -0.143 0.000 0.801 1464 E CB -0.232 29.386 29.700 -0.136 0.000 0.743 1464 E HN 0.365 nan 8.360 nan 0.000 0.453 1465 R N 0.990 121.419 120.500 -0.118 0.000 2.091 1465 R HA -0.155 4.205 4.340 0.032 0.000 0.238 1465 R C 2.297 178.625 176.300 0.048 0.000 1.136 1465 R CA 1.123 57.226 56.100 0.005 0.000 0.959 1465 R CB -0.167 29.942 30.300 -0.319 0.000 0.856 1465 R HN 0.179 nan 8.270 nan 0.000 0.437 1466 L N -0.118 121.082 121.223 -0.038 0.000 2.217 1466 L HA -0.070 4.289 4.340 0.032 0.000 0.211 1466 L C 2.619 179.419 176.870 -0.116 0.000 1.107 1466 L CA 1.010 55.814 54.840 -0.059 0.000 0.783 1466 L CB -0.306 41.722 42.059 -0.051 0.000 0.919 1466 L HN 0.206 nan 8.230 nan 0.000 0.442 1467 R N -0.872 119.543 120.500 -0.141 0.000 2.075 1467 R HA -0.156 4.204 4.340 0.032 0.000 0.232 1467 R C 2.274 178.416 176.300 -0.264 0.000 1.126 1467 R CA 1.500 57.466 56.100 -0.222 0.000 0.963 1467 R CB -0.449 29.678 30.300 -0.290 0.000 0.858 1467 R HN 0.254 nan 8.270 nan 0.000 0.435 1468 Y N 0.939 121.127 120.300 -0.187 0.000 2.165 1468 Y HA -0.272 4.297 4.550 0.031 0.000 0.286 1468 Y C 2.592 178.291 175.900 -0.334 0.000 1.155 1468 Y CA 1.705 59.696 58.100 -0.182 0.000 1.164 1468 Y CB -0.143 38.297 38.460 -0.034 0.000 0.978 1468 Y HN 0.206 nan 8.280 nan 0.000 0.513 1469 E N 0.272 120.279 120.200 -0.321 0.000 2.051 1469 E HA -0.331 4.039 4.350 0.032 0.000 0.192 1469 E C 2.276 178.633 176.600 -0.405 0.000 0.991 1469 E CA 1.399 57.392 56.400 -0.678 0.000 0.799 1469 E CB -0.186 29.061 29.700 -0.755 0.000 0.748 1469 E HN 0.537 nan 8.360 nan 0.000 0.449 1470 Q N 0.140 119.778 119.800 -0.270 0.000 2.062 1470 Q HA -0.239 4.120 4.340 0.032 0.000 0.209 1470 Q C 1.850 177.737 176.000 -0.188 0.000 0.996 1470 Q CA 2.115 57.796 55.803 -0.203 0.000 0.859 1470 Q CB -0.097 28.539 28.738 -0.170 0.000 0.920 1470 Q HN 0.302 nan 8.270 nan 0.000 0.415 1471 N N 0.185 118.775 118.700 -0.184 0.000 2.244 1471 N HA -0.090 4.669 4.740 0.032 0.000 0.183 1471 N C 1.826 177.253 175.510 -0.139 0.000 1.016 1471 N CA 1.009 53.970 53.050 -0.148 0.000 0.866 1471 N CB -0.200 38.204 38.487 -0.139 0.000 0.980 1471 N HN 0.352 nan 8.380 nan 0.000 0.430 1472 I N 1.181 121.644 120.570 -0.179 0.000 2.202 1472 I HA -0.202 3.988 4.170 0.032 0.000 0.242 1472 I C 2.325 178.332 176.117 -0.184 0.000 1.091 1472 I CA 1.020 62.205 61.300 -0.192 0.000 1.368 1472 I CB -0.066 37.765 38.000 -0.282 0.000 1.058 1472 I HN 0.044 nan 8.210 nan 0.000 0.410 1473 R N 0.507 120.881 120.500 -0.211 0.000 2.120 1473 R HA -0.165 4.195 4.340 0.032 0.000 0.234 1473 R C 2.054 178.280 176.300 -0.124 0.000 1.123 1473 R CA 1.255 57.254 56.100 -0.167 0.000 0.975 1473 R CB -0.258 29.935 30.300 -0.178 0.000 0.866 1473 R HN 0.452 nan 8.270 nan 0.000 0.446 1474 E N 0.007 120.135 120.200 -0.120 0.000 2.204 1474 E HA -0.100 4.270 4.350 0.032 0.000 0.194 1474 E C 1.538 178.090 176.600 -0.081 0.000 0.989 1474 E CA 1.042 57.385 56.400 -0.095 0.000 0.824 1474 E CB 0.152 29.795 29.700 -0.094 0.000 0.756 1474 E HN 0.346 nan 8.360 nan 0.000 0.477 1475 A N -0.565 122.203 122.820 -0.087 0.000 2.197 1475 A HA 0.055 4.395 4.320 0.032 0.000 0.210 1475 A C 1.677 179.218 177.584 -0.071 0.000 1.180 1475 A CA 0.016 52.009 52.037 -0.072 0.000 0.846 1475 A CB 0.287 19.245 19.000 -0.069 0.000 0.884 1475 A HN 0.301 nan 8.150 nan 0.000 0.487 1476 c N -0.918 117.632 118.600 -0.084 0.000 3.336 1476 c HA 0.502 5.092 4.570 0.032 0.000 0.291 1476 c C 0.783 174.833 174.090 -0.067 0.000 1.363 1476 c CA 0.055 56.339 56.329 -0.076 0.000 1.737 1476 c CB -0.942 41.512 42.510 -0.093 0.000 2.274 1476 c HN 0.439 nan 8.230 nan 0.000 0.663 1484 K N 3.907 124.292 120.400 -0.025 0.000 3.099 1484 K HA 0.205 4.544 4.320 0.032 0.000 0.197 1484 K C -0.993 175.597 176.600 -0.017 0.000 1.114 1484 K CA -0.244 56.031 56.287 -0.022 0.000 1.024 1484 K CB 0.437 32.926 32.500 -0.017 0.000 0.711 1484 K HN 0.321 nan 8.250 nan 0.000 0.432 1485 K N 1.181 121.569 120.400 -0.019 0.000 2.307 1485 K HA 0.078 4.417 4.320 0.032 0.000 0.285 1485 K C -0.751 175.843 176.600 -0.010 0.000 1.073 1485 K CA 0.111 56.390 56.287 -0.014 0.000 0.996 1485 K CB 0.360 32.851 32.500 -0.016 0.000 0.994 1485 K HN 0.168 nan 8.250 nan 0.000 0.452 1486 c N 4.778 123.375 118.600 -0.005 0.000 2.396 1486 c HA 0.396 4.986 4.570 0.032 0.000 0.321 1486 c C -0.018 174.074 174.090 0.003 0.000 1.233 1486 c CA -1.132 55.198 56.329 0.001 0.000 1.440 1486 c CB 0.390 42.903 42.510 0.004 0.000 2.110 1486 c HN 0.665 nan 8.230 nan 0.000 0.473 1487 I N 4.229 124.803 120.570 0.007 0.000 2.441 1487 I HA 0.127 4.316 4.170 0.032 0.000 0.287 1487 I C 0.786 176.908 176.117 0.008 0.000 1.049 1487 I CA 0.336 61.640 61.300 0.007 0.000 1.381 1487 I CB 0.194 38.199 38.000 0.009 0.000 1.409 1487 I HN 0.677 nan 8.210 nan 0.000 0.523 1488 N N 4.067 122.771 118.700 0.006 0.000 2.395 1488 N HA 0.105 4.864 4.740 0.032 0.000 0.246 1488 N C -0.216 175.298 175.510 0.007 0.000 1.246 1488 N CA 0.301 53.354 53.050 0.006 0.000 0.879 1488 N CB 0.933 39.423 38.487 0.004 0.000 1.098 1488 N HN 0.534 nan 8.380 nan 0.000 0.444 1496 K N 1.063 121.477 120.400 0.023 0.000 2.324 1496 K HA 0.621 4.960 4.320 0.032 0.000 0.253 1496 K C -0.284 176.337 176.600 0.035 0.000 0.932 1496 K CA -0.830 55.479 56.287 0.036 0.000 0.799 1496 K CB 1.469 33.991 32.500 0.037 0.000 1.154 1496 K HN 0.587 nan 8.250 nan 0.000 0.425 1497 I N -0.238 120.358 120.570 0.044 0.000 2.948 1497 I HA 0.130 4.319 4.170 0.032 0.000 0.290 1497 I C 0.026 176.157 176.117 0.023 0.000 1.226 1497 I CA -0.008 61.306 61.300 0.023 0.000 1.413 1497 I CB 0.530 38.532 38.000 0.003 0.000 1.352 1497 I HN 0.475 nan 8.210 nan 0.000 0.597 1498 Q N 3.684 123.487 119.800 0.005 0.000 2.534 1498 Q HA 0.512 4.872 4.340 0.032 0.000 0.290 1498 Q C -0.023 175.975 176.000 -0.003 0.000 0.991 1498 Q CA 0.165 55.973 55.803 0.008 0.000 0.783 1498 Q CB 1.945 30.689 28.738 0.009 0.000 1.470 1498 Q HN 1.232 nan 8.270 nan 0.000 0.406 1499 G N 1.534 110.336 108.800 0.003 0.000 2.574 1499 G HA2 -0.371 3.608 3.960 0.032 0.000 0.286 1499 G HA3 -0.371 3.608 3.960 0.032 0.000 0.286 1499 G C 0.828 175.723 174.900 -0.008 0.000 1.212 1499 G CA 1.365 46.464 45.100 -0.002 0.000 0.979 1499 G HN 1.364 nan 8.290 nan 0.000 0.557 1500 A N -1.170 121.640 122.820 -0.016 0.000 1.917 1500 A HA -0.052 4.287 4.320 0.032 0.000 0.219 1500 A C 2.895 180.457 177.584 -0.036 0.000 1.182 1500 A CA 3.344 55.367 52.037 -0.023 0.000 0.633 1500 A CB -1.287 17.696 19.000 -0.028 0.000 0.819 1500 A HN 1.982 nan 8.150 nan 0.000 0.448 1501 c N -0.386 118.186 118.600 -0.047 0.000 2.413 1501 c HA -0.126 4.464 4.570 0.032 0.000 0.277 1501 c C 2.681 176.709 174.090 -0.103 0.000 1.228 1501 c CA 1.825 58.109 56.329 -0.076 0.000 1.731 1501 c CB -1.096 41.371 42.510 -0.071 0.000 2.042 1501 c HN 0.676 nan 8.230 nan 0.000 0.468 1502 K N -0.128 120.227 120.400 -0.074 0.000 2.097 1502 K HA -0.147 4.192 4.320 0.032 0.000 0.206 1502 K C 2.499 179.081 176.600 -0.031 0.000 1.049 1502 K CA 1.303 57.548 56.287 -0.071 0.000 0.933 1502 K CB -0.311 32.194 32.500 0.009 0.000 0.717 1502 K HN 0.519 nan 8.250 nan 0.000 0.442 1503 R N 0.437 120.935 120.500 -0.003 0.000 2.082 1503 R HA -0.108 4.252 4.340 0.032 0.000 0.234 1503 R C 2.230 178.554 176.300 0.041 0.000 1.136 1503 R CA 1.479 57.597 56.100 0.029 0.000 0.935 1503 R CB -0.126 30.187 30.300 0.023 0.000 0.842 1503 R HN 0.062 nan 8.270 nan 0.000 0.430 1504 K N 0.311 120.716 120.400 0.008 0.000 2.097 1504 K HA -0.117 4.222 4.320 0.032 0.000 0.206 1504 K C 2.173 178.805 176.600 0.054 0.000 1.049 1504 K CA 1.128 57.435 56.287 0.034 0.000 0.933 1504 K CB -0.682 31.805 32.500 -0.022 0.000 0.717 1504 K HN 0.288 nan 8.250 nan 0.000 0.442 1505 c N 1.028 119.578 118.600 -0.083 0.000 2.446 1505 c HA -0.045 4.544 4.570 0.032 0.000 0.277 1505 c C 2.532 176.663 174.090 0.068 0.000 1.275 1505 c CA 0.480 56.673 56.329 -0.226 0.000 1.727 1505 c CB -0.631 41.344 42.510 -0.892 0.000 2.010 1505 c HN 0.543 nan 8.230 nan 0.000 0.486 1506 E N 0.636 120.922 120.200 0.144 0.000 2.204 1506 E HA -0.179 4.190 4.350 0.032 0.000 0.194 1506 E C 2.129 178.867 176.600 0.230 0.000 0.989 1506 E CA 0.914 57.493 56.400 0.298 0.000 0.824 1506 E CB -0.059 29.777 29.700 0.227 0.000 0.756 1506 E HN 0.603 nan 8.360 nan 0.000 0.477 1507 K N -0.044 120.486 120.400 0.216 0.000 2.057 1507 K HA -0.188 4.151 4.320 0.032 0.000 0.207 1507 K C 1.994 178.687 176.600 0.156 0.000 1.049 1507 K CA 1.308 57.748 56.287 0.255 0.000 0.931 1507 K CB -0.198 32.517 32.500 0.358 0.000 0.714 1507 K HN 0.200 nan 8.250 nan 0.000 0.440 1508 Y N 1.830 122.110 120.300 -0.034 0.000 2.163 1508 Y HA -0.227 4.342 4.550 0.033 0.000 0.288 1508 Y C 2.421 178.315 175.900 -0.010 0.000 1.136 1508 Y CA 1.525 59.467 58.100 -0.263 0.000 1.147 1508 Y CB 0.126 38.570 38.460 -0.026 0.000 0.987 1508 Y HN -0.097 nan 8.280 nan 0.000 0.509 1509 K N 0.875 121.354 120.400 0.132 0.000 2.044 1509 K HA -0.303 4.036 4.320 0.032 0.000 0.210 1509 K C 2.300 178.886 176.600 -0.024 0.000 1.049 1509 K CA 2.112 58.431 56.287 0.053 0.000 0.927 1509 K CB -0.269 32.354 32.500 0.205 0.000 0.713 1509 K HN 0.281 nan 8.250 nan 0.000 0.443 1510 K N -0.396 120.032 120.400 0.046 0.000 2.026 1510 K HA -0.227 4.113 4.320 0.032 0.000 0.208 1510 K C 2.238 178.869 176.600 0.052 0.000 1.048 1510 K CA 1.598 57.922 56.287 0.061 0.000 0.929 1510 K CB -0.380 32.188 32.500 0.114 0.000 0.713 1510 K HN 0.214 nan 8.250 nan 0.000 0.439 1511 Y N 1.796 122.019 120.300 -0.129 0.000 2.081 1511 Y HA -0.274 4.294 4.550 0.030 0.000 0.280 1511 Y C 1.882 177.732 175.900 -0.084 0.000 1.163 1511 Y CA 1.649 59.667 58.100 -0.137 0.000 1.135 1511 Y CB -0.263 37.936 38.460 -0.435 0.000 0.970 1511 Y HN 0.044 nan 8.280 nan 0.000 0.498 1512 I N 0.394 120.765 120.570 -0.332 0.000 2.208 1512 I HA -0.304 3.886 4.170 0.032 0.000 0.245 1512 I C 2.730 178.805 176.117 -0.070 0.000 1.097 1512 I CA 1.943 63.067 61.300 -0.293 0.000 1.363 1512 I CB -1.973 35.743 38.000 -0.472 0.000 1.051 1512 I HN 0.465 nan 8.210 nan 0.000 0.413 1513 S N 0.521 116.186 115.700 -0.060 0.000 2.399 1513 S HA -0.187 4.302 4.470 0.032 0.000 0.231 1513 S C 1.779 176.394 174.600 0.026 0.000 1.022 1513 S CA 1.230 59.434 58.200 0.005 0.000 0.983 1513 S CB -0.440 62.764 63.200 0.005 0.000 0.803 1513 S HN 0.552 nan 8.310 nan 0.000 0.480 1514 E N 0.791 120.996 120.200 0.008 0.000 2.112 1514 E HA 0.050 4.420 4.350 0.032 0.000 0.190 1514 E C 1.961 178.580 176.600 0.032 0.000 0.979 1514 E CA 0.656 57.075 56.400 0.032 0.000 0.814 1514 E CB 0.050 29.788 29.700 0.062 0.000 0.762 1514 E HN 0.324 nan 8.360 nan 0.000 0.460 1515 K N 1.018 121.413 120.400 -0.008 0.000 2.366 1515 K HA -0.073 4.266 4.320 0.032 0.000 0.198 1515 K C 1.864 178.510 176.600 0.077 0.000 1.044 1515 K CA 0.634 56.966 56.287 0.075 0.000 0.973 1515 K CB 0.003 32.506 32.500 0.005 0.000 0.767 1515 K HN -0.073 nan 8.250 nan 0.000 0.475 1516 K N 2.548 123.010 120.400 0.103 0.000 2.063 1516 K HA -0.218 4.122 4.320 0.032 0.000 0.208 1516 K C 2.079 178.615 176.600 -0.108 0.000 1.048 1516 K CA 1.852 58.145 56.287 0.010 0.000 0.928 1516 K CB -0.245 32.359 32.500 0.174 0.000 0.713 1516 K HN 0.336 nan 8.250 nan 0.000 0.442 1517 Q N 0.041 119.803 119.800 -0.063 0.000 2.124 1517 Q HA -0.203 4.157 4.340 0.032 0.000 0.202 1517 Q C 1.630 177.513 176.000 -0.194 0.000 0.977 1517 Q CA 1.860 57.602 55.803 -0.100 0.000 0.850 1517 Q CB -0.301 28.406 28.738 -0.051 0.000 0.901 1517 Q HN 0.505 nan 8.270 nan 0.000 0.429 1518 E N 0.303 120.388 120.200 -0.192 0.000 2.072 1518 E HA -0.138 4.232 4.350 0.032 0.000 0.190 1518 E C 1.734 177.879 176.600 -0.758 0.000 0.982 1518 E CA 0.995 57.183 56.400 -0.353 0.000 0.803 1518 E CB -0.360 29.281 29.700 -0.098 0.000 0.755 1518 E HN 0.539 nan 8.360 nan 0.000 0.453 1519 W N 2.558 123.289 121.300 -0.949 0.000 2.354 1519 W HA -0.222 4.456 4.660 0.031 0.000 0.315 1519 W C 1.097 177.143 176.519 -0.789 0.000 1.206 1519 W CA 1.584 58.227 57.345 -1.169 0.000 1.290 1519 W CB -0.262 28.308 29.460 -1.484 0.000 1.152 1519 W HN 0.031 nan 8.180 nan 0.000 0.489 1520 D N 0.563 120.609 120.400 -0.590 0.000 2.106 1520 D HA -0.227 4.433 4.640 0.032 0.000 0.191 1520 D C 2.118 178.092 176.300 -0.544 0.000 0.997 1520 D CA 2.008 55.709 54.000 -0.498 0.000 0.834 1520 D CB -0.533 40.126 40.800 -0.235 0.000 0.956 1520 D HN 0.247 nan 8.370 nan 0.000 0.448 1521 K N 0.366 120.473 120.400 -0.487 0.000 1.991 1521 K HA -0.173 4.166 4.320 0.032 0.000 0.212 1521 K C 2.331 178.586 176.600 -0.575 0.000 1.049 1521 K CA 1.231 57.260 56.287 -0.431 0.000 0.932 1521 K CB -0.262 32.035 32.500 -0.339 0.000 0.717 1521 K HN 0.261 nan 8.250 nan 0.000 0.441 1522 Q N 0.642 119.916 119.800 -0.876 0.000 2.079 1522 Q HA -0.141 4.218 4.340 0.032 0.000 0.200 1522 Q C 2.199 177.423 176.000 -1.294 0.000 0.974 1522 Q CA 1.231 56.289 55.803 -1.241 0.000 0.840 1522 Q CB -0.048 27.502 28.738 -1.982 0.000 0.898 1522 Q HN 0.241 nan 8.270 nan 0.000 0.430 1523 K N 0.398 120.037 120.400 -1.268 0.000 2.032 1523 K HA -0.161 4.178 4.320 0.032 0.000 0.209 1523 K C 1.919 178.265 176.600 -0.424 0.000 1.048 1523 K CA 1.806 57.576 56.287 -0.861 0.000 0.927 1523 K CB -0.078 31.619 32.500 -1.337 0.000 0.712 1523 K HN 0.109 nan 8.250 nan 0.000 0.441 1524 T N 1.489 115.785 114.554 -0.429 0.000 2.684 1524 T HA -0.174 4.195 4.350 0.032 0.000 0.267 1524 T C 1.817 176.397 174.700 -0.200 0.000 1.036 1524 T CA 1.744 63.687 62.100 -0.261 0.000 1.148 1524 T CB -0.188 68.532 68.868 -0.246 0.000 0.863 1524 T HN 0.371 nan 8.240 nan 0.000 0.436 1525 K N -0.150 120.111 120.400 -0.231 0.000 2.032 1525 K HA -0.182 4.158 4.320 0.032 0.000 0.209 1525 K C 2.257 178.820 176.600 -0.061 0.000 1.048 1525 K CA 1.387 57.581 56.287 -0.155 0.000 0.927 1525 K CB -0.363 32.034 32.500 -0.171 0.000 0.712 1525 K HN 0.393 nan 8.250 nan 0.000 0.441 1526 Y N 1.835 122.049 120.300 -0.142 0.000 2.089 1526 Y HA -0.189 4.381 4.550 0.032 0.000 0.282 1526 Y C 1.838 177.798 175.900 0.100 0.000 1.139 1526 Y CA 2.152 60.290 58.100 0.064 0.000 1.123 1526 Y CB -0.123 38.423 38.460 0.144 0.000 0.980 1526 Y HN 0.203 nan 8.280 nan 0.000 0.493 1527 E N -0.346 119.832 120.200 -0.038 0.000 2.152 1527 E HA -0.179 4.191 4.350 0.032 0.000 0.192 1527 E C 1.345 177.862 176.600 -0.139 0.000 0.983 1527 E CA 1.084 57.417 56.400 -0.111 0.000 0.818 1527 E CB -0.260 29.438 29.700 -0.004 0.000 0.758 1527 E HN 0.679 nan 8.360 nan 0.000 0.467 1528 N N 0.395 119.015 118.700 -0.134 0.000 2.336 1528 N HA -0.068 4.691 4.740 0.032 0.000 0.189 1528 N C 1.128 176.529 175.510 -0.181 0.000 1.113 1528 N CA 0.376 53.344 53.050 -0.137 0.000 0.858 1528 N CB 0.271 38.690 38.487 -0.114 0.000 0.970 1528 N HN -0.029 nan 8.380 nan 0.000 0.471 1529 K N -0.497 119.761 120.400 -0.238 0.000 2.190 1529 K HA 0.063 4.403 4.320 0.032 0.000 0.202 1529 K C -0.398 175.879 176.600 -0.539 0.000 1.045 1529 K CA 0.334 56.391 56.287 -0.384 0.000 0.976 1529 K CB 0.060 32.295 32.500 -0.442 0.000 0.849 1529 K HN 0.140 nan 8.250 nan 0.000 0.468 1530 Y N 2.681 122.759 120.300 -0.371 0.000 2.802 1530 Y HA 0.146 4.714 4.550 0.031 0.000 0.330 1530 Y C -0.336 175.392 175.900 -0.287 0.000 1.193 1530 Y CA -1.124 56.748 58.100 -0.380 0.000 1.427 1530 Y CB 0.493 38.574 38.460 -0.631 0.000 1.357 1530 Y HN -0.138 nan 8.280 nan 0.000 0.501 1531 V N 0.153 120.001 119.914 -0.110 0.000 2.540 1531 V HA 0.492 4.632 4.120 0.032 0.000 0.297 1531 V C 1.061 177.134 176.094 -0.036 0.000 1.024 1531 V CA 0.233 62.487 62.300 -0.078 0.000 1.105 1531 V CB 0.495 32.270 31.823 -0.080 0.000 0.938 1531 V HN 0.975 nan 8.190 nan 0.000 0.482 1532 G N 3.148 111.933 108.800 -0.024 0.000 2.176 1532 G HA2 -0.233 3.746 3.960 0.032 0.000 0.253 1532 G HA3 -0.233 3.746 3.960 0.032 0.000 0.253 1532 G C 0.144 175.057 174.900 0.021 0.000 0.979 1532 G CA 0.435 45.536 45.100 0.002 0.000 0.641 1532 G HN 0.843 nan 8.290 nan 0.000 0.530 1533 K N 0.530 120.938 120.400 0.013 0.000 2.138 1533 K HA 0.612 4.951 4.320 0.032 0.000 0.263 1533 K C -0.037 176.642 176.600 0.130 0.000 0.965 1533 K CA -0.175 56.147 56.287 0.059 0.000 0.868 1533 K CB 1.831 34.347 32.500 0.027 0.000 1.083 1533 K HN 0.148 nan 8.250 nan 0.000 0.443 1534 S N 1.180 116.995 115.700 0.192 0.000 2.508 1534 S HA 0.349 4.838 4.470 0.032 0.000 0.284 1534 S C 0.908 175.671 174.600 0.271 0.000 1.192 1534 S CA -0.458 57.869 58.200 0.212 0.000 1.070 1534 S CB 1.386 64.682 63.200 0.159 0.000 1.004 1534 S HN 0.692 nan 8.310 nan 0.000 0.493 1535 A N 3.910 126.868 122.820 0.230 0.000 1.930 1535 A HA 0.013 4.353 4.320 0.032 0.000 0.217 1535 A C 2.412 179.942 177.584 -0.089 0.000 1.175 1535 A CA 1.901 53.927 52.037 -0.019 0.000 0.627 1535 A CB -1.264 17.703 19.000 -0.055 0.000 0.815 1535 A HN 0.916 nan 8.150 nan 0.000 0.443 1536 S N -0.132 115.660 115.700 0.155 0.000 2.368 1536 S HA -0.196 4.293 4.470 0.032 0.000 0.225 1536 S C 1.672 176.358 174.600 0.144 0.000 1.030 1536 S CA 1.750 60.073 58.200 0.206 0.000 0.999 1536 S CB -0.502 62.944 63.200 0.410 0.000 0.844 1536 S HN 0.568 nan 8.310 nan 0.000 0.459 1537 D N 1.093 121.559 120.400 0.109 0.000 2.117 1537 D HA -0.080 4.580 4.640 0.032 0.000 0.197 1537 D C 1.960 178.254 176.300 -0.010 0.000 0.987 1537 D CA 0.980 55.023 54.000 0.072 0.000 0.829 1537 D CB -0.649 40.198 40.800 0.077 0.000 0.961 1537 D HN 0.375 nan 8.370 nan 0.000 0.460 1538 L N 0.788 121.946 121.223 -0.108 0.000 2.021 1538 L HA -0.198 4.162 4.340 0.032 0.000 0.215 1538 L C 2.166 178.914 176.870 -0.203 0.000 1.074 1538 L CA 1.624 56.316 54.840 -0.247 0.000 0.760 1538 L CB -0.518 41.180 42.059 -0.601 0.000 0.889 1538 L HN 0.030 nan 8.230 nan 0.000 0.433 1539 L N -1.282 119.845 121.223 -0.160 0.000 2.095 1539 L HA -0.122 4.238 4.340 0.032 0.000 0.204 1539 L C 2.555 179.522 176.870 0.163 0.000 1.080 1539 L CA 1.076 55.942 54.840 0.042 0.000 0.759 1539 L CB -0.614 41.464 42.059 0.032 0.000 0.914 1539 L HN 0.186 nan 8.230 nan 0.000 0.439 1540 K N 0.556 121.064 120.400 0.180 0.000 2.148 1540 K HA -0.182 4.158 4.320 0.032 0.000 0.204 1540 K C 1.917 178.557 176.600 0.066 0.000 1.050 1540 K CA 1.541 57.939 56.287 0.185 0.000 0.942 1540 K CB -0.059 32.567 32.500 0.210 0.000 0.724 1540 K HN 0.477 nan 8.250 nan 0.000 0.446 1541 E N 0.404 120.604 120.200 -0.000 0.000 2.358 1541 E HA -0.104 4.266 4.350 0.032 0.000 0.195 1541 E C 1.276 177.792 176.600 -0.141 0.000 1.010 1541 E CA 0.747 57.118 56.400 -0.049 0.000 0.856 1541 E CB 0.052 29.726 29.700 -0.044 0.000 0.795 1541 E HN 0.225 nan 8.360 nan 0.000 0.504 1542 N N -0.344 118.192 118.700 -0.273 0.000 2.436 1542 N HA 0.031 4.791 4.740 0.032 0.000 0.178 1542 N C -0.447 174.617 175.510 -0.744 0.000 1.026 1542 N CA 0.524 53.191 53.050 -0.638 0.000 0.880 1542 N CB 0.410 38.263 38.487 -1.056 0.000 1.061 1542 N HN 0.163 nan 8.380 nan 0.000 0.434 1543 Y N 0.814 121.160 120.300 0.077 0.000 2.331 1543 Y HA 0.346 4.916 4.550 0.034 0.000 0.334 1543 Y C -1.633 174.335 175.900 0.114 0.000 0.960 1543 Y CA -2.030 56.138 58.100 0.115 0.000 1.130 1543 Y CB 1.881 40.424 38.460 0.138 0.000 1.164 1543 Y HN -0.036 nan 8.280 nan 0.000 0.458 1544 P HA -0.134 nan 4.420 nan 0.000 0.222 1544 P C 0.415 177.802 177.300 0.144 0.000 1.147 1544 P CA 1.293 64.481 63.100 0.146 0.000 0.790 1544 P CB 0.465 32.234 31.700 0.116 0.000 0.780 1545 E N -0.932 119.375 120.200 0.178 0.000 2.338 1545 E HA -0.087 4.282 4.350 0.032 0.000 0.197 1545 E C 1.722 178.402 176.600 0.134 0.000 1.007 1545 E CA 0.806 57.284 56.400 0.129 0.000 0.849 1545 E CB -0.926 28.841 29.700 0.113 0.000 0.774 1545 E HN 0.259 nan 8.360 nan 0.000 0.506 1546 c N 0.024 118.753 118.600 0.216 0.000 2.594 1546 c HA 0.196 4.785 4.570 0.032 0.000 0.265 1546 c C 2.233 176.411 174.090 0.147 0.000 1.351 1546 c CA -0.380 56.102 56.329 0.254 0.000 1.744 1546 c CB -0.745 42.056 42.510 0.484 0.000 1.890 1546 c HN 0.438 nan 8.230 nan 0.000 0.551 1547 I N 2.125 122.764 120.570 0.115 0.000 2.208 1547 I HA -0.202 3.988 4.170 0.032 0.000 0.245 1547 I C 2.471 178.597 176.117 0.015 0.000 1.097 1547 I CA 2.163 63.507 61.300 0.073 0.000 1.363 1547 I CB -0.417 37.620 38.000 0.062 0.000 1.051 1547 I HN 0.411 nan 8.210 nan 0.000 0.413 1548 S N 0.606 116.300 115.700 -0.011 0.000 2.561 1548 S HA 0.229 4.719 4.470 0.032 0.000 0.225 1548 S C 0.983 175.507 174.600 -0.128 0.000 0.977 1548 S CA -0.050 58.120 58.200 -0.050 0.000 0.926 1548 S CB -0.296 62.889 63.200 -0.024 0.000 0.769 1548 S HN 0.269 nan 8.310 nan 0.000 0.533 1549 A N 2.521 125.222 122.820 -0.199 0.000 2.302 1549 A HA 0.472 4.811 4.320 0.032 0.000 0.295 1549 A C 0.140 177.437 177.584 -0.478 0.000 1.235 1549 A CA -0.624 51.153 52.037 -0.433 0.000 0.876 1549 A CB -0.042 18.533 19.000 -0.708 0.000 1.133 1549 A HN 0.317 nan 8.150 nan 0.000 0.533 1550 N N 3.267 121.770 118.700 -0.327 0.000 2.521 1550 N HA 0.191 4.950 4.740 0.032 0.000 0.236 1550 N C 0.074 175.494 175.510 -0.150 0.000 1.067 1550 N CA -0.418 52.537 53.050 -0.157 0.000 0.939 1550 N CB -0.213 38.230 38.487 -0.073 0.000 1.201 1550 N HN 0.504 nan 8.380 nan 0.000 0.511 1551 F N 1.500 121.442 119.950 -0.012 0.000 2.216 1551 F HA -0.087 4.459 4.527 0.032 0.000 0.300 1551 F C 1.595 177.329 175.800 -0.110 0.000 1.085 1551 F CA 0.938 58.825 58.000 -0.189 0.000 1.326 1551 F CB 0.087 38.872 39.000 -0.358 0.000 1.027 1551 F HN 0.411 nan 8.300 nan 0.000 0.497 1552 D N -0.702 119.834 120.400 0.227 0.000 2.149 1552 D HA -0.168 4.492 4.640 0.032 0.000 0.201 1552 D C 1.943 178.293 176.300 0.084 0.000 0.972 1552 D CA 0.984 55.099 54.000 0.192 0.000 0.835 1552 D CB -0.459 40.461 40.800 0.199 0.000 0.966 1552 D HN 0.180 nan 8.370 nan 0.000 0.476 1553 F N 0.893 120.818 119.950 -0.042 0.000 2.084 1553 F HA -0.058 4.488 4.527 0.032 0.000 0.296 1553 F C 1.967 177.687 175.800 -0.132 0.000 1.111 1553 F CA 1.099 59.063 58.000 -0.060 0.000 1.224 1553 F CB -0.125 38.826 39.000 -0.081 0.000 0.991 1553 F HN -0.126 nan 8.300 nan 0.000 0.471 1554 I N -0.798 119.737 120.570 -0.059 0.000 2.151 1554 I HA -0.345 3.844 4.170 0.032 0.000 0.243 1554 I C 1.440 177.212 176.117 -0.574 0.000 1.080 1554 I CA 1.671 62.740 61.300 -0.386 0.000 1.339 1554 I CB -0.457 37.144 38.000 -0.666 0.000 1.039 1554 I HN 0.054 nan 8.210 nan 0.000 0.409 1555 F N -0.321 119.515 119.950 -0.190 0.000 2.639 1555 F HA 0.192 4.739 4.527 0.033 0.000 0.302 1555 F C 0.992 176.715 175.800 -0.127 0.000 1.097 1555 F CA -0.549 57.343 58.000 -0.179 0.000 1.294 1555 F CB -0.296 38.523 39.000 -0.302 0.000 1.027 1555 F HN -0.005 nan 8.300 nan 0.000 0.550 1556 N N 1.736 120.373 118.700 -0.104 0.000 2.356 1556 N HA -0.139 4.620 4.740 0.032 0.000 0.252 1556 N C -0.083 175.308 175.510 -0.197 0.000 1.241 1556 N CA 0.919 53.810 53.050 -0.264 0.000 0.861 1556 N CB 0.549 38.606 38.487 -0.717 0.000 1.075 1556 N HN 0.131 nan 8.380 nan 0.000 0.461 1557 D N 1.567 121.866 120.400 -0.169 0.000 2.593 1557 D HA 0.212 4.872 4.640 0.032 0.000 0.241 1557 D C -0.597 175.648 176.300 -0.092 0.000 1.257 1557 D CA -0.303 53.647 54.000 -0.084 0.000 0.828 1557 D CB -0.023 40.762 40.800 -0.025 0.000 1.049 1557 D HN 0.417 nan 8.370 nan 0.000 0.490 1558 N N 0.020 118.614 118.700 -0.177 0.000 2.424 1558 N HA 0.133 4.892 4.740 0.032 0.000 0.257 1558 N C 1.401 176.945 175.510 0.057 0.000 1.250 1558 N CA -0.269 52.743 53.050 -0.064 0.000 0.946 1558 N CB 0.975 39.412 38.487 -0.084 0.000 1.175 1558 N HN -0.048 nan 8.380 nan 0.000 0.477 1559 I N 0.513 121.138 120.570 0.092 0.000 2.353 1559 I HA -0.185 4.004 4.170 0.032 0.000 0.248 1559 I C 2.106 178.313 176.117 0.150 0.000 1.119 1559 I CA 1.023 62.380 61.300 0.096 0.000 1.417 1559 I CB -0.333 37.708 38.000 0.069 0.000 1.078 1559 I HN 0.669 nan 8.210 nan 0.000 0.421 1560 E N -0.038 120.298 120.200 0.227 0.000 2.208 1560 E HA -0.205 4.164 4.350 0.032 0.000 0.193 1560 E C 1.986 178.759 176.600 0.288 0.000 0.988 1560 E CA 1.050 57.613 56.400 0.271 0.000 0.828 1560 E CB -0.625 29.202 29.700 0.212 0.000 0.763 1560 E HN 0.520 nan 8.360 nan 0.000 0.478 1561 Y N 1.666 122.031 120.300 0.108 0.000 2.274 1561 Y HA -0.129 4.440 4.550 0.032 0.000 0.290 1561 Y C 2.529 178.486 175.900 0.095 0.000 1.145 1561 Y CA 1.347 59.538 58.100 0.151 0.000 1.203 1561 Y CB 0.042 38.514 38.460 0.020 0.000 0.984 1561 Y HN -0.017 nan 8.280 nan 0.000 0.533 1562 K N 0.062 120.561 120.400 0.165 0.000 2.057 1562 K HA -0.166 4.174 4.320 0.032 0.000 0.206 1562 K C 2.068 178.649 176.600 -0.032 0.000 1.050 1562 K CA 1.871 58.187 56.287 0.049 0.000 0.935 1562 K CB -0.160 32.352 32.500 0.022 0.000 0.715 1562 K HN 0.406 nan 8.250 nan 0.000 0.439 1563 T N -2.111 112.404 114.554 -0.065 0.000 2.851 1563 T HA -0.091 4.279 4.350 0.032 0.000 0.262 1563 T C 1.880 176.370 174.700 -0.351 0.000 1.043 1563 T CA 0.822 62.792 62.100 -0.216 0.000 1.140 1563 T CB -0.526 68.172 68.868 -0.284 0.000 0.872 1563 T HN 0.205 nan 8.240 nan 0.000 0.446 1564 Y N 0.783 120.887 120.300 -0.326 0.000 2.337 1564 Y HA 0.217 4.786 4.550 0.032 0.000 0.293 1564 Y C 0.402 175.916 175.900 -0.644 0.000 1.123 1564 Y CA 0.136 57.886 58.100 -0.584 0.000 1.201 1564 Y CB 0.033 37.939 38.460 -0.923 0.000 1.011 1564 Y HN 0.271 nan 8.280 nan 0.000 0.545 1565 Y N -0.773 119.571 120.300 0.073 0.000 2.837 1565 Y HA 0.354 4.923 4.550 0.032 0.000 0.356 1565 Y C -2.114 173.786 175.900 0.000 0.000 1.035 1565 Y CA -3.610 54.536 58.100 0.077 0.000 1.165 1565 Y CB 0.270 38.796 38.460 0.109 0.000 1.147 1565 Y HN -0.041 nan 8.280 nan 0.000 0.628 1566 P HA -0.153 nan 4.420 nan 0.000 0.216 1566 P C 0.154 177.213 177.300 -0.402 0.000 1.150 1566 P CA 1.717 64.638 63.100 -0.298 0.000 0.837 1566 P CB 0.090 31.477 31.700 -0.522 0.000 0.786 1567 Y N -1.470 118.946 120.300 0.193 0.000 2.720 1567 Y HA 0.444 5.013 4.550 0.032 0.000 0.277 1567 Y C 1.788 177.863 175.900 0.292 0.000 1.144 1567 Y CA 0.091 58.333 58.100 0.238 0.000 1.221 1567 Y CB -0.327 38.286 38.460 0.255 0.000 1.163 1567 Y HN -0.014 nan 8.280 nan 0.000 0.537 1568 G N 1.564 110.548 108.800 0.307 0.000 2.556 1568 G HA2 -0.424 3.555 3.960 0.032 0.000 0.283 1568 G HA3 -0.424 3.555 3.960 0.032 0.000 0.283 1568 G C 0.983 176.107 174.900 0.374 0.000 1.177 1568 G CA 0.628 45.892 45.100 0.273 0.000 0.978 1568 G HN 0.430 nan 8.290 nan 0.000 0.554 1569 D N -0.228 120.301 120.400 0.215 0.000 2.348 1569 D HA 0.025 4.684 4.640 0.032 0.000 0.216 1569 D C 1.349 177.597 176.300 -0.087 0.000 0.970 1569 D CA 1.380 55.348 54.000 -0.053 0.000 0.889 1569 D CB -0.160 40.468 40.800 -0.287 0.000 0.912 1569 D HN 0.483 nan 8.370 nan 0.000 0.524 1570 Y N 0.685 121.078 120.300 0.155 0.000 2.571 1570 Y HA 0.316 4.885 4.550 0.032 0.000 0.275 1570 Y C 2.064 178.055 175.900 0.151 0.000 1.179 1570 Y CA -1.107 57.025 58.100 0.053 0.000 1.242 1570 Y CB 0.159 38.549 38.460 -0.117 0.000 1.126 1570 Y HN -0.117 nan 8.280 nan 0.000 0.524 1571 S N -0.638 115.286 115.700 0.373 0.000 2.383 1571 S HA -0.183 4.306 4.470 0.032 0.000 0.229 1571 S C 2.239 177.000 174.600 0.270 0.000 1.030 1571 S CA 1.712 60.146 58.200 0.390 0.000 1.002 1571 S CB -0.093 63.365 63.200 0.431 0.000 0.829 1571 S HN 0.428 nan 8.310 nan 0.000 0.467 1572 S N 1.559 117.379 115.700 0.201 0.000 2.368 1572 S HA 0.051 4.540 4.470 0.032 0.000 0.224 1572 S C 1.788 176.437 174.600 0.082 0.000 1.029 1572 S CA 0.978 59.255 58.200 0.128 0.000 0.988 1572 S CB -0.363 62.892 63.200 0.091 0.000 0.838 1572 S HN 0.487 nan 8.310 nan 0.000 0.462 1573 I N 0.624 121.232 120.570 0.063 0.000 2.394 1573 I HA -0.116 4.073 4.170 0.032 0.000 0.251 1573 I C 0.998 177.104 176.117 -0.017 0.000 1.136 1573 I CA 0.581 61.878 61.300 -0.005 0.000 1.425 1573 I CB -0.422 37.535 38.000 -0.072 0.000 1.079 1573 I HN 0.251 nan 8.210 nan 0.000 0.425 1574 c N 1.713 120.326 118.600 0.022 0.000 2.294 1574 c HA 0.342 4.931 4.570 0.032 0.000 0.348 1574 c C 1.202 175.339 174.090 0.079 0.000 1.355 1574 c CA -0.418 55.883 56.329 -0.046 0.000 1.774 1574 c CB -2.232 40.154 42.510 -0.208 0.000 2.259 1574 c HN 0.545 nan 8.230 nan 0.000 0.570 1575 S N -1.357 114.387 115.700 0.073 0.000 2.697 1575 S HA 0.683 5.173 4.470 0.032 0.000 0.289 1575 S C -0.755 173.873 174.600 0.047 0.000 1.149 1575 S CA -0.546 57.707 58.200 0.089 0.000 0.850 1575 S CB 0.835 64.099 63.200 0.107 0.000 1.151 1575 S HN 0.326 nan 8.310 nan 0.000 0.491 1576 c N 2.241 120.868 118.600 0.044 0.000 2.365 1576 c HA 0.883 5.472 4.570 0.032 0.000 0.351 1576 c C -0.212 173.893 174.090 0.024 0.000 1.240 1576 c CA 0.090 56.435 56.329 0.027 0.000 2.062 1576 c CB -0.097 42.427 42.510 0.024 0.000 2.387 1576 c HN 1.046 nan 8.230 nan 0.000 0.537 1577 E N 0.000 120.209 120.200 0.015 0.000 2.725 1577 E HA 0.000 4.369 4.350 0.032 0.000 0.291 1577 E CA 0.000 56.408 56.400 0.013 0.000 0.976 1577 E CB 0.000 29.709 29.700 0.015 0.000 0.812 1577 E HN 0.000 nan 8.360 nan 0.000 0.440