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 1l7e_1_D DATA FIRST_RESID 1201 DATA SEQUENCE MKIAIPKERR PGEDRVAISP EVVKKLVGLG FEVIVEQGAG VGASITDDAL DATA SEQUENCE TAAGATIAST AAQALSQADV VWKVQRPMTA EEGTDEVALI KEGAVLMCHL DATA SEQUENCE GALTNRPVVE ALTKRKITAY AMELMPRISR AQSMDILSSQ SNLAGYRAVI DATA SEQUENCE DGAYEFARAF PMMMTAAGTV PPARVLVFGV GVAGLQAIAT AKRLGAVVMA DATA SEQUENCE TDVRAATKEQ VESLGGKFIT VDXXXXXXXX XXGGYAKEMG EEFRKKQAEA DATA SEQUENCE VLKELVKTDI AITTALIPGK PAPVLITEEM VTKMKPGSVI IDLAVEAGGN DATA SEQUENCE CPLSEPGKIV VKHGVKIVGH TNVPSRVAAD ASPLFAKNLL NFLTPHVDKD DATA SEQUENCE TKTLVMKLED ETVSGTCVTR DGAIVHP 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 1201 M HA 0.000 nan 4.480 nan 0.000 0.227 1201 M C 0.000 176.196 176.300 -0.174 0.000 1.140 1201 M CA 0.000 55.118 55.300 -0.303 0.000 0.988 1201 M CB 0.000 32.245 32.600 -0.591 0.000 1.302 1202 K N 3.201 123.564 120.400 -0.061 0.000 2.307 1202 K HA 0.716 5.036 4.320 0.000 0.000 0.263 1202 K C -1.657 174.957 176.600 0.023 0.000 0.973 1202 K CA -0.475 55.811 56.287 -0.002 0.000 0.846 1202 K CB 1.649 34.142 32.500 -0.012 0.000 1.100 1202 K HN 0.747 nan 8.250 nan 0.000 0.438 1203 I N 3.743 124.322 120.570 0.016 0.000 2.336 1203 I HA 0.501 4.671 4.170 0.000 0.000 0.292 1203 I C -1.038 175.023 176.117 -0.093 0.000 0.991 1203 I CA -0.335 60.905 61.300 -0.100 0.000 1.227 1203 I CB 1.244 39.044 38.000 -0.334 0.000 1.366 1203 I HN 0.826 nan 8.210 nan 0.000 0.466 1204 A N 7.761 130.552 122.820 -0.049 0.000 2.337 1204 A HA 0.814 5.135 4.320 0.000 0.000 0.329 1204 A C -1.100 176.505 177.584 0.036 0.000 1.146 1204 A CA -0.498 51.536 52.037 -0.004 0.000 0.800 1204 A CB 0.987 20.000 19.000 0.022 0.000 1.220 1204 A HN 0.629 nan 8.150 nan 0.000 0.472 1205 I N 3.940 124.538 120.570 0.048 0.000 2.439 1205 I HA 0.392 4.562 4.170 0.000 0.000 0.283 1205 I C -2.307 173.849 176.117 0.065 0.000 1.023 1205 I CA -1.573 59.784 61.300 0.095 0.000 1.100 1205 I CB 2.297 40.368 38.000 0.118 0.000 1.238 1205 I HN 0.455 nan 8.210 nan 0.000 0.445 1206 P HA 0.238 nan 4.420 nan 0.000 0.281 1206 P C -0.898 176.419 177.300 0.027 0.000 1.264 1206 P CA -0.836 62.288 63.100 0.040 0.000 0.824 1206 P CB 1.440 33.164 31.700 0.041 0.000 1.092 1207 K N 1.060 121.468 120.400 0.014 0.000 2.237 1207 K HA 0.094 4.414 4.320 0.000 0.000 0.270 1207 K C 0.134 176.730 176.600 -0.007 0.000 1.015 1207 K CA -0.279 56.008 56.287 0.001 0.000 0.949 1207 K CB 0.372 32.871 32.500 -0.002 0.000 0.976 1207 K HN 0.358 nan 8.250 nan 0.000 0.472 1208 E N 3.448 123.634 120.200 -0.023 0.000 2.259 1208 E HA 0.048 4.399 4.350 0.000 0.000 0.281 1208 E C 0.454 177.038 176.600 -0.027 0.000 1.037 1208 E CA -0.120 56.260 56.400 -0.034 0.000 0.854 1208 E CB 1.180 30.842 29.700 -0.062 0.000 1.051 1208 E HN 0.482 nan 8.360 nan 0.000 0.409 1209 R N 1.925 122.413 120.500 -0.020 0.000 2.237 1209 R HA 0.113 4.453 4.340 0.000 0.000 0.195 1209 R C 0.479 176.767 176.300 -0.020 0.000 0.956 1209 R CA 0.037 56.127 56.100 -0.016 0.000 1.029 1209 R CB 0.215 30.510 30.300 -0.008 0.000 0.972 1209 R HN 0.338 nan 8.270 nan 0.000 0.493 1210 R N 2.693 123.177 120.500 -0.026 0.000 2.570 1210 R HA 0.069 4.410 4.340 0.000 0.000 0.277 1210 R C -2.024 174.257 176.300 -0.030 0.000 1.039 1210 R CA -1.172 54.911 56.100 -0.028 0.000 1.065 1210 R CB -0.030 30.248 30.300 -0.036 0.000 0.964 1210 R HN 0.011 nan 8.270 nan 0.000 0.428 1211 P HA -0.073 nan 4.420 nan 0.000 0.265 1211 P C 0.545 177.828 177.300 -0.029 0.000 1.193 1211 P CA 0.648 63.734 63.100 -0.023 0.000 0.765 1211 P CB 0.909 32.599 31.700 -0.017 0.000 0.823 1212 G N 1.925 110.707 108.800 -0.030 0.000 2.241 1212 G HA2 -0.244 3.716 3.960 0.000 0.000 0.244 1212 G HA3 -0.244 3.716 3.960 0.000 0.000 0.244 1212 G C 0.214 175.086 174.900 -0.046 0.000 0.998 1212 G CA 0.148 45.227 45.100 -0.035 0.000 0.621 1212 G HN 0.669 nan 8.290 nan 0.000 0.519 1213 E N 1.631 121.800 120.200 -0.051 0.000 2.166 1213 E HA 0.478 4.828 4.350 0.000 0.000 0.279 1213 E C 0.511 177.074 176.600 -0.062 0.000 1.095 1213 E CA -0.154 56.206 56.400 -0.066 0.000 0.888 1213 E CB 0.449 30.104 29.700 -0.075 0.000 1.041 1213 E HN 0.234 nan 8.360 nan 0.000 0.414 1214 D N 3.727 124.088 120.400 -0.065 0.000 2.407 1214 D HA 0.077 4.717 4.640 0.000 0.000 0.208 1214 D C 0.040 176.301 176.300 -0.064 0.000 1.083 1214 D CA 0.033 53.999 54.000 -0.056 0.000 0.844 1214 D CB 0.368 41.139 40.800 -0.049 0.000 0.967 1214 D HN 0.324 nan 8.370 nan 0.000 0.506 1215 R N 0.298 120.743 120.500 -0.091 0.000 2.637 1215 R HA 0.486 4.826 4.340 0.000 0.000 0.269 1215 R C -0.277 175.950 176.300 -0.121 0.000 1.089 1215 R CA -0.310 55.722 56.100 -0.113 0.000 1.177 1215 R CB 1.658 31.851 30.300 -0.179 0.000 1.091 1215 R HN -0.169 nan 8.270 nan 0.000 0.540 1216 V N 0.100 119.950 119.914 -0.107 0.000 2.888 1216 V HA 0.481 4.601 4.120 0.000 0.000 0.309 1216 V C -0.738 175.327 176.094 -0.049 0.000 1.114 1216 V CA -0.511 61.749 62.300 -0.067 0.000 0.940 1216 V CB 2.060 33.876 31.823 -0.011 0.000 1.021 1216 V HN 0.888 nan 8.190 nan 0.000 0.426 1217 A N 6.121 128.944 122.820 0.004 0.000 3.019 1217 A HA 0.663 4.983 4.320 0.000 0.000 0.262 1217 A C -0.211 177.557 177.584 0.307 0.000 1.509 1217 A CA 0.240 52.372 52.037 0.158 0.000 1.159 1217 A CB -0.940 18.195 19.000 0.224 0.000 1.042 1217 A HN 1.057 nan 8.150 nan 0.000 0.641 1218 I N -1.105 119.592 120.570 0.212 0.000 2.897 1218 I HA 0.492 4.662 4.170 0.000 0.000 0.299 1218 I C -0.739 175.458 176.117 0.132 0.000 1.527 1218 I CA 0.255 61.685 61.300 0.218 0.000 0.979 1218 I CB 2.142 40.247 38.000 0.174 0.000 1.360 1218 I HN 0.209 nan 8.210 nan 0.000 0.495 1219 S N 4.260 120.030 115.700 0.117 0.000 2.579 1219 S HA 0.689 5.159 4.470 0.000 0.000 0.272 1219 S C -2.715 171.918 174.600 0.055 0.000 1.141 1219 S CA -1.119 57.125 58.200 0.073 0.000 0.843 1219 S CB 2.035 65.277 63.200 0.069 0.000 1.122 1219 S HN 0.399 nan 8.310 nan 0.000 0.468 1220 P HA -0.099 nan 4.420 nan 0.000 0.216 1220 P C 1.322 178.637 177.300 0.024 0.000 1.150 1220 P CA 1.292 64.407 63.100 0.025 0.000 0.843 1220 P CB 0.131 31.842 31.700 0.018 0.000 0.787 1221 E N -0.455 119.762 120.200 0.028 0.000 2.051 1221 E HA -0.147 4.203 4.350 0.000 0.000 0.192 1221 E C 1.761 178.379 176.600 0.031 0.000 0.991 1221 E CA 1.198 57.613 56.400 0.026 0.000 0.799 1221 E CB -0.323 29.392 29.700 0.026 0.000 0.748 1221 E HN -0.042 nan 8.360 nan 0.000 0.449 1222 V N 0.413 120.359 119.914 0.053 0.000 2.515 1222 V HA -0.192 3.929 4.120 0.000 0.000 0.250 1222 V C 2.303 178.411 176.094 0.023 0.000 1.058 1222 V CA 1.023 63.364 62.300 0.069 0.000 1.064 1222 V CB -0.012 31.908 31.823 0.161 0.000 0.675 1222 V HN 0.196 nan 8.190 nan 0.000 0.461 1223 V N 0.027 119.950 119.914 0.015 0.000 2.343 1223 V HA -0.277 3.843 4.120 0.000 0.000 0.247 1223 V C 2.444 178.527 176.094 -0.018 0.000 1.051 1223 V CA 2.008 64.298 62.300 -0.017 0.000 1.036 1223 V CB -0.671 31.150 31.823 -0.003 0.000 0.654 1223 V HN 0.560 nan 8.190 nan 0.000 0.451 1224 K N 0.049 120.448 120.400 -0.002 0.000 2.057 1224 K HA -0.168 4.153 4.320 0.000 0.000 0.207 1224 K C 2.221 178.818 176.600 -0.004 0.000 1.049 1224 K CA 1.325 57.612 56.287 0.000 0.000 0.931 1224 K CB -0.238 32.265 32.500 0.005 0.000 0.714 1224 K HN 0.423 nan 8.250 nan 0.000 0.440 1225 K N 0.907 121.302 120.400 -0.009 0.000 2.097 1225 K HA -0.084 4.237 4.320 0.000 0.000 0.205 1225 K C 2.247 178.817 176.600 -0.049 0.000 1.050 1225 K CA 0.980 57.257 56.287 -0.017 0.000 0.938 1225 K CB -0.200 32.295 32.500 -0.008 0.000 0.718 1225 K HN 0.125 nan 8.250 nan 0.000 0.442 1226 L N 0.762 121.924 121.223 -0.101 0.000 1.976 1226 L HA -0.186 4.154 4.340 0.000 0.000 0.209 1226 L C 2.458 179.315 176.870 -0.022 0.000 1.071 1226 L CA 0.999 55.708 54.840 -0.219 0.000 0.746 1226 L CB -0.640 41.221 42.059 -0.330 0.000 0.890 1226 L HN -0.078 nan 8.230 nan 0.000 0.432 1227 V N 0.390 120.309 119.914 0.010 0.000 2.453 1227 V HA -0.268 3.852 4.120 0.000 0.000 0.252 1227 V C 2.526 178.659 176.094 0.066 0.000 1.068 1227 V CA 1.966 64.301 62.300 0.058 0.000 1.070 1227 V CB -1.297 30.542 31.823 0.027 0.000 0.664 1227 V HN 0.635 nan 8.190 nan 0.000 0.461 1228 G N -0.513 108.312 108.800 0.042 0.000 2.408 1228 G HA2 -0.158 3.802 3.960 0.000 0.000 0.217 1228 G HA3 -0.158 3.802 3.960 0.000 0.000 0.217 1228 G C 1.482 176.425 174.900 0.071 0.000 1.150 1228 G CA 0.496 45.620 45.100 0.041 0.000 0.776 1228 G HN 0.501 nan 8.290 nan 0.000 0.542 1229 L N 0.094 121.384 121.223 0.111 0.000 2.362 1229 L HA 0.177 4.517 4.340 0.000 0.000 0.219 1229 L C 2.045 179.060 176.870 0.243 0.000 1.134 1229 L CA 0.755 55.710 54.840 0.193 0.000 0.807 1229 L CB -0.054 42.153 42.059 0.247 0.000 0.927 1229 L HN 0.436 nan 8.230 nan 0.000 0.447 1230 G N -1.390 107.541 108.800 0.218 0.000 2.159 1230 G HA2 -0.212 3.748 3.960 0.000 0.000 0.170 1230 G HA3 -0.212 3.748 3.960 0.000 0.000 0.170 1230 G C -0.044 174.889 174.900 0.056 0.000 1.007 1230 G CA -0.723 44.433 45.100 0.094 0.000 0.672 1230 G HN 0.058 nan 8.290 nan 0.000 0.507 1231 F N 1.174 121.095 119.950 -0.048 0.000 2.378 1231 F HA 0.651 5.178 4.527 0.000 0.000 0.325 1231 F C 0.944 176.705 175.800 -0.065 0.000 1.097 1231 F CA -0.650 57.310 58.000 -0.067 0.000 1.079 1231 F CB 0.888 39.825 39.000 -0.105 0.000 1.240 1231 F HN 0.042 nan 8.300 nan 0.000 0.519 1232 E N 0.427 120.697 120.200 0.116 0.000 2.191 1232 E HA 0.607 4.957 4.350 0.000 0.000 0.274 1232 E C -1.405 175.223 176.600 0.046 0.000 0.948 1232 E CA -0.730 55.697 56.400 0.045 0.000 0.802 1232 E CB 2.246 31.947 29.700 0.002 0.000 1.137 1232 E HN 0.226 nan 8.360 nan 0.000 0.397 1233 V N 4.183 124.102 119.914 0.009 0.000 2.577 1233 V HA 0.440 4.560 4.120 0.000 0.000 0.303 1233 V C -0.603 175.480 176.094 -0.019 0.000 1.042 1233 V CA -0.698 61.587 62.300 -0.027 0.000 0.872 1233 V CB 1.692 33.483 31.823 -0.053 0.000 0.998 1233 V HN 0.618 nan 8.190 nan 0.000 0.423 1234 I N 5.113 125.671 120.570 -0.021 0.000 2.466 1234 I HA 0.704 4.874 4.170 0.000 0.000 0.289 1234 I C -1.234 174.882 176.117 -0.002 0.000 1.026 1234 I CA -0.543 60.752 61.300 -0.007 0.000 1.078 1234 I CB 1.863 39.862 38.000 -0.002 0.000 1.249 1234 I HN 0.407 nan 8.210 nan 0.000 0.429 1235 V N 6.493 126.410 119.914 0.005 0.000 2.680 1235 V HA 0.358 4.478 4.120 0.000 0.000 0.309 1235 V C -0.020 176.082 176.094 0.014 0.000 1.052 1235 V CA -0.784 61.525 62.300 0.015 0.000 0.908 1235 V CB 1.797 33.631 31.823 0.018 0.000 1.001 1235 V HN 0.702 nan 8.190 nan 0.000 0.431 1236 E N 2.917 123.128 120.200 0.018 0.000 2.344 1236 E HA 0.164 4.514 4.350 0.000 0.000 0.270 1236 E C -0.005 176.601 176.600 0.010 0.000 1.021 1236 E CA -0.470 55.938 56.400 0.014 0.000 0.887 1236 E CB 0.743 30.453 29.700 0.015 0.000 0.997 1236 E HN 0.782 nan 8.360 nan 0.000 0.429 1237 Q N 2.764 122.569 119.800 0.007 0.000 2.310 1237 Q HA 0.075 4.416 4.340 0.000 0.000 0.315 1237 Q C 0.879 176.881 176.000 0.004 0.000 1.081 1237 Q CA 0.575 56.382 55.803 0.005 0.000 0.981 1237 Q CB 0.304 29.044 28.738 0.004 0.000 1.184 1237 Q HN 0.793 nan 8.270 nan 0.000 0.389 1238 G N 1.564 110.366 108.800 0.003 0.000 2.189 1238 G HA2 -0.376 3.585 3.960 0.000 0.000 0.267 1238 G HA3 -0.376 3.585 3.960 0.000 0.000 0.267 1238 G C 0.852 175.752 174.900 -0.001 0.000 0.975 1238 G CA 0.445 45.545 45.100 0.000 0.000 0.644 1238 G HN 1.233 nan 8.290 nan 0.000 0.537 1239 A N -0.020 122.802 122.820 0.003 0.000 1.902 1239 A HA 0.341 4.661 4.320 0.000 0.000 0.217 1239 A C 2.517 180.099 177.584 -0.002 0.000 1.181 1239 A CA 2.277 54.316 52.037 0.002 0.000 0.623 1239 A CB -0.545 18.462 19.000 0.012 0.000 0.818 1239 A HN 1.613 nan 8.150 nan 0.000 0.443 1240 G N -1.394 107.407 108.800 0.002 0.000 3.233 1240 G HA2 0.295 4.255 3.960 0.000 0.000 0.234 1240 G HA3 0.295 4.255 3.960 0.000 0.000 0.234 1240 G C 1.048 175.946 174.900 -0.004 0.000 1.137 1240 G CA 0.637 45.737 45.100 0.001 0.000 0.763 1240 G HN 0.214 nan 8.290 nan 0.000 0.549 1241 V N 1.470 121.381 119.914 -0.006 0.000 2.392 1241 V HA -0.121 3.999 4.120 0.000 0.000 0.249 1241 V C 3.007 179.094 176.094 -0.012 0.000 1.059 1241 V CA 2.266 64.561 62.300 -0.008 0.000 1.051 1241 V CB -0.631 31.188 31.823 -0.008 0.000 0.658 1241 V HN 0.408 nan 8.190 nan 0.000 0.455 1242 G N -0.809 107.980 108.800 -0.017 0.000 2.509 1242 G HA2 -0.030 3.930 3.960 0.000 0.000 0.218 1242 G HA3 -0.030 3.930 3.960 0.000 0.000 0.218 1242 G C 1.196 176.082 174.900 -0.023 0.000 1.124 1242 G CA 0.786 45.872 45.100 -0.023 0.000 0.776 1242 G HN 0.655 nan 8.290 nan 0.000 0.547 1243 A N -0.488 122.322 122.820 -0.017 0.000 2.500 1243 A HA 0.571 4.892 4.320 0.000 0.000 0.267 1243 A C 1.305 178.885 177.584 -0.007 0.000 1.290 1243 A CA 0.801 52.830 52.037 -0.013 0.000 0.928 1243 A CB 0.009 19.003 19.000 -0.010 0.000 1.066 1243 A HN 0.535 nan 8.150 nan 0.000 0.516 1244 S N -0.850 114.846 115.700 -0.007 0.000 3.641 1244 S HA -0.155 4.315 4.470 0.000 0.000 0.346 1244 S C -0.033 174.567 174.600 -0.000 0.000 1.074 1244 S CA 1.119 59.317 58.200 -0.004 0.000 1.026 1244 S CB -1.853 61.344 63.200 -0.005 0.000 0.908 1244 S HN 0.613 nan 8.310 nan 0.000 0.479 1245 I N 2.295 122.866 120.570 0.002 0.000 2.390 1245 I HA 0.247 4.417 4.170 0.000 0.000 0.283 1245 I C 0.907 177.027 176.117 0.006 0.000 1.016 1245 I CA -0.464 60.840 61.300 0.007 0.000 1.151 1245 I CB 1.474 39.482 38.000 0.012 0.000 1.293 1245 I HN 0.258 nan 8.210 nan 0.000 0.458 1246 T N -0.025 114.532 114.554 0.005 0.000 2.849 1246 T HA 0.166 4.516 4.350 0.000 0.000 0.284 1246 T C 0.790 175.493 174.700 0.006 0.000 1.004 1246 T CA -0.644 61.459 62.100 0.004 0.000 1.021 1246 T CB 1.468 70.338 68.868 0.003 0.000 1.013 1246 T HN 0.403 nan 8.240 nan 0.000 0.527 1247 D N 0.829 121.232 120.400 0.005 0.000 2.178 1247 D HA -0.057 4.584 4.640 0.000 0.000 0.202 1247 D C 1.510 177.813 176.300 0.005 0.000 0.974 1247 D CA 1.220 55.224 54.000 0.006 0.000 0.841 1247 D CB -0.303 40.500 40.800 0.005 0.000 0.953 1247 D HN 0.716 nan 8.370 nan 0.000 0.478 1248 D N 1.085 121.487 120.400 0.004 0.000 2.117 1248 D HA -0.106 4.534 4.640 0.000 0.000 0.197 1248 D C 2.062 178.365 176.300 0.005 0.000 0.987 1248 D CA 1.513 55.515 54.000 0.004 0.000 0.829 1248 D CB -0.121 40.681 40.800 0.003 0.000 0.961 1248 D HN 0.136 nan 8.370 nan 0.000 0.460 1249 A N 0.245 123.068 122.820 0.006 0.000 1.933 1249 A HA -0.121 4.199 4.320 0.000 0.000 0.218 1249 A C 1.882 179.471 177.584 0.008 0.000 1.175 1249 A CA 1.007 53.048 52.037 0.007 0.000 0.628 1249 A CB -0.464 18.541 19.000 0.008 0.000 0.814 1249 A HN 0.100 nan 8.150 nan 0.000 0.444 1250 L N -0.487 120.742 121.223 0.009 0.000 2.072 1250 L HA -0.062 4.278 4.340 0.000 0.000 0.205 1250 L C 2.663 179.537 176.870 0.007 0.000 1.079 1250 L CA 2.257 57.102 54.840 0.010 0.000 0.752 1250 L CB -1.460 40.606 42.059 0.011 0.000 0.906 1250 L HN 0.320 nan 8.230 nan 0.000 0.436 1251 T N -0.202 114.355 114.554 0.006 0.000 2.746 1251 T HA -0.172 4.178 4.350 0.000 0.000 0.267 1251 T C 1.998 176.701 174.700 0.004 0.000 1.039 1251 T CA 1.314 63.416 62.100 0.004 0.000 1.142 1251 T CB -0.367 68.503 68.868 0.004 0.000 0.866 1251 T HN 0.384 nan 8.240 nan 0.000 0.444 1252 A N 1.393 124.216 122.820 0.005 0.000 1.933 1252 A HA 0.169 4.489 4.320 0.000 0.000 0.218 1252 A C 2.540 180.127 177.584 0.005 0.000 1.175 1252 A CA 1.690 53.730 52.037 0.004 0.000 0.628 1252 A CB -0.899 18.104 19.000 0.005 0.000 0.814 1252 A HN 0.514 nan 8.150 nan 0.000 0.444 1253 A N -2.128 120.695 122.820 0.006 0.000 2.168 1253 A HA 0.385 4.705 4.320 0.000 0.000 0.215 1253 A C 1.743 179.330 177.584 0.005 0.000 1.152 1253 A CA 1.480 53.521 52.037 0.006 0.000 0.716 1253 A CB -0.625 18.380 19.000 0.008 0.000 0.794 1253 A HN 1.838 nan 8.150 nan 0.000 0.465 1254 G N -2.930 105.873 108.800 0.004 0.000 2.164 1254 G HA2 0.255 4.215 3.960 0.000 0.000 0.154 1254 G HA3 0.255 4.215 3.960 0.000 0.000 0.154 1254 G C 0.271 175.173 174.900 0.003 0.000 1.014 1254 G CA 0.130 45.232 45.100 0.004 0.000 0.683 1254 G HN 1.342 nan 8.290 nan 0.000 0.500 1255 A N -0.145 122.676 122.820 0.001 0.000 2.242 1255 A HA 0.977 5.297 4.320 0.000 0.000 0.304 1255 A C 0.680 178.265 177.584 0.001 0.000 1.100 1255 A CA 0.650 52.686 52.037 -0.001 0.000 0.860 1255 A CB 0.842 19.841 19.000 -0.003 0.000 1.168 1255 A HN 1.654 nan 8.150 nan 0.000 0.503 1256 T N -1.646 112.908 114.554 -0.000 0.000 2.932 1256 T HA 0.682 5.032 4.350 0.000 0.000 0.289 1256 T C -0.521 174.180 174.700 0.002 0.000 1.039 1256 T CA -0.643 61.457 62.100 0.001 0.000 1.024 1256 T CB 0.967 69.836 68.868 0.000 0.000 1.090 1256 T HN 0.352 nan 8.240 nan 0.000 0.496 1257 I N 1.744 122.316 120.570 0.003 0.000 2.354 1257 I HA 0.548 4.718 4.170 0.000 0.000 0.292 1257 I C 0.544 176.663 176.117 0.004 0.000 0.989 1257 I CA -1.087 60.216 61.300 0.004 0.000 1.188 1257 I CB 0.773 38.775 38.000 0.004 0.000 1.342 1257 I HN 1.005 nan 8.210 nan 0.000 0.457 1258 A N 4.087 126.911 122.820 0.006 0.000 2.301 1258 A HA 0.381 4.701 4.320 0.000 0.000 0.298 1258 A C 1.186 178.774 177.584 0.006 0.000 1.185 1258 A CA -0.163 51.878 52.037 0.006 0.000 0.830 1258 A CB 0.900 19.905 19.000 0.008 0.000 1.112 1258 A HN 0.809 nan 8.150 nan 0.000 0.508 1259 S N 1.602 117.305 115.700 0.005 0.000 2.382 1259 S HA -0.054 4.416 4.470 0.000 0.000 0.228 1259 S C 1.007 175.611 174.600 0.005 0.000 1.027 1259 S CA 1.940 60.143 58.200 0.005 0.000 0.991 1259 S CB -0.356 62.847 63.200 0.004 0.000 0.823 1259 S HN 1.376 nan 8.310 nan 0.000 0.469 1260 T N -3.224 111.334 114.554 0.007 0.000 2.883 1260 T HA 0.798 5.148 4.350 0.000 0.000 0.296 1260 T C 0.877 175.584 174.700 0.010 0.000 1.117 1260 T CA -0.288 61.817 62.100 0.007 0.000 1.006 1260 T CB 1.204 70.076 68.868 0.007 0.000 1.191 1260 T HN 0.066 nan 8.240 nan 0.000 0.508 1261 A N 0.719 123.546 122.820 0.011 0.000 1.933 1261 A HA 0.247 4.567 4.320 0.000 0.000 0.218 1261 A C 2.515 180.110 177.584 0.017 0.000 1.175 1261 A CA 1.977 54.024 52.037 0.016 0.000 0.628 1261 A CB -1.476 17.534 19.000 0.016 0.000 0.814 1261 A HN 1.334 nan 8.150 nan 0.000 0.444 1262 A N -0.648 122.181 122.820 0.014 0.000 1.902 1262 A HA -0.228 4.092 4.320 0.000 0.000 0.217 1262 A C 2.198 179.790 177.584 0.013 0.000 1.181 1262 A CA 1.838 53.884 52.037 0.014 0.000 0.623 1262 A CB -0.571 18.435 19.000 0.011 0.000 0.818 1262 A HN 0.686 nan 8.150 nan 0.000 0.443 1263 Q N -0.599 119.208 119.800 0.011 0.000 2.119 1263 Q HA -0.056 4.284 4.340 0.000 0.000 0.201 1263 Q C 2.073 178.079 176.000 0.011 0.000 0.972 1263 Q CA 1.456 57.265 55.803 0.010 0.000 0.847 1263 Q CB -0.312 28.430 28.738 0.008 0.000 0.903 1263 Q HN 0.594 nan 8.270 nan 0.000 0.433 1264 A N 0.813 123.642 122.820 0.014 0.000 1.832 1264 A HA -0.092 4.228 4.320 0.000 0.000 0.214 1264 A C 2.019 179.616 177.584 0.021 0.000 1.204 1264 A CA 1.093 53.140 52.037 0.016 0.000 0.606 1264 A CB -0.825 18.187 19.000 0.020 0.000 0.849 1264 A HN 0.425 nan 8.150 nan 0.000 0.445 1265 L N 1.009 122.249 121.223 0.027 0.000 2.187 1265 L HA -0.177 4.163 4.340 0.000 0.000 0.213 1265 L C 2.737 179.624 176.870 0.029 0.000 1.100 1265 L CA 1.482 56.342 54.840 0.034 0.000 0.765 1265 L CB -0.471 41.611 42.059 0.037 0.000 0.904 1265 L HN 0.602 nan 8.230 nan 0.000 0.437 1266 S N -1.144 114.569 115.700 0.022 0.000 2.555 1266 S HA -0.131 4.339 4.470 0.000 0.000 0.230 1266 S C 1.515 176.124 174.600 0.015 0.000 0.978 1266 S CA 0.478 58.689 58.200 0.018 0.000 0.934 1266 S CB -0.104 63.104 63.200 0.014 0.000 0.766 1266 S HN 0.569 nan 8.310 nan 0.000 0.533 1267 Q N 0.463 120.272 119.800 0.015 0.000 2.194 1267 Q HA 0.475 4.815 4.340 0.000 0.000 0.214 1267 Q C 0.124 176.131 176.000 0.011 0.000 0.838 1267 Q CA -0.057 55.751 55.803 0.009 0.000 0.972 1267 Q CB 0.855 29.596 28.738 0.005 0.000 1.131 1267 Q HN 0.618 nan 8.270 nan 0.000 0.498 1268 A N 0.972 123.804 122.820 0.021 0.000 2.362 1268 A HA 0.143 4.463 4.320 0.000 0.000 0.276 1268 A C 0.154 177.759 177.584 0.035 0.000 1.153 1268 A CA -0.370 51.684 52.037 0.028 0.000 0.813 1268 A CB 0.424 19.449 19.000 0.042 0.000 1.081 1268 A HN 0.073 nan 8.150 nan 0.000 0.507 1269 D N 1.019 121.438 120.400 0.031 0.000 2.240 1269 D HA 0.096 4.736 4.640 0.000 0.000 0.206 1269 D C 0.003 176.350 176.300 0.078 0.000 0.963 1269 D CA 1.330 55.352 54.000 0.038 0.000 0.863 1269 D CB 0.489 41.295 40.800 0.009 0.000 0.973 1269 D HN 0.272 nan 8.370 nan 0.000 0.501 1270 V N 1.235 121.199 119.914 0.084 0.000 2.760 1270 V HA 0.320 4.440 4.120 0.000 0.000 0.309 1270 V C -0.340 175.818 176.094 0.107 0.000 1.077 1270 V CA -0.786 61.591 62.300 0.129 0.000 0.910 1270 V CB 2.942 34.849 31.823 0.141 0.000 1.008 1270 V HN -0.273 nan 8.190 nan 0.000 0.424 1271 V N 3.154 123.192 119.914 0.205 0.000 2.495 1271 V HA 0.554 4.674 4.120 0.000 0.000 0.298 1271 V C -1.251 175.112 176.094 0.448 0.000 1.031 1271 V CA -0.583 61.852 62.300 0.224 0.000 0.871 1271 V CB 2.063 33.992 31.823 0.176 0.000 0.988 1271 V HN 0.832 nan 8.190 nan 0.000 0.432 1272 W N 4.887 126.250 121.300 0.106 0.000 2.587 1272 W HA 0.794 5.454 4.660 0.000 0.000 0.324 1272 W C 0.006 176.590 176.519 0.108 0.000 1.040 1272 W CA -1.219 56.202 57.345 0.126 0.000 1.222 1272 W CB 1.726 31.257 29.460 0.120 0.000 1.381 1272 W HN 0.649 nan 8.180 nan 0.000 0.483 1273 K N 0.013 120.594 120.400 0.300 0.000 2.578 1273 K HA 0.609 4.929 4.320 0.000 0.000 0.287 1273 K C -0.913 175.725 176.600 0.064 0.000 1.010 1273 K CA -0.729 55.646 56.287 0.148 0.000 0.889 1273 K CB 1.307 33.873 32.500 0.109 0.000 1.514 1273 K HN 0.072 nan 8.250 nan 0.000 0.424 1274 V N -0.128 119.693 119.914 -0.155 0.000 2.326 1274 V HA -0.006 4.114 4.120 0.000 0.000 0.238 1274 V C 0.777 176.807 176.094 -0.106 0.000 1.038 1274 V CA 0.781 62.829 62.300 -0.419 0.000 1.032 1274 V CB -0.446 31.010 31.823 -0.612 0.000 0.675 1274 V HN 0.620 nan 8.190 nan 0.000 0.467 1275 Q N 0.984 120.731 119.800 -0.089 0.000 2.221 1275 Q HA 0.359 4.699 4.340 0.000 0.000 0.242 1275 Q C -0.058 175.957 176.000 0.025 0.000 0.940 1275 Q CA -0.648 55.133 55.803 -0.038 0.000 0.896 1275 Q CB 1.302 29.995 28.738 -0.076 0.000 1.226 1275 Q HN 0.574 nan 8.270 nan 0.000 0.463 1276 R N 1.286 121.816 120.500 0.050 0.000 2.640 1276 R HA 0.172 4.512 4.340 0.000 0.000 0.270 1276 R C -2.284 174.038 176.300 0.036 0.000 1.024 1276 R CA -1.140 54.996 56.100 0.060 0.000 1.085 1276 R CB -0.529 29.810 30.300 0.064 0.000 0.963 1276 R HN 0.235 nan 8.270 nan 0.000 0.426 1277 P HA -0.076 nan 4.420 nan 0.000 0.266 1277 P C -0.409 176.905 177.300 0.022 0.000 1.195 1277 P CA 0.300 63.420 63.100 0.033 0.000 0.768 1277 P CB 0.659 32.384 31.700 0.042 0.000 0.838 1278 M N 1.716 121.325 119.600 0.016 0.000 2.241 1278 M HA 0.214 4.694 4.480 0.000 0.000 0.335 1278 M C 1.157 177.465 176.300 0.013 0.000 1.122 1278 M CA 0.221 55.527 55.300 0.011 0.000 1.164 1278 M CB 0.616 33.220 32.600 0.006 0.000 1.459 1278 M HN 0.402 nan 8.290 nan 0.000 0.461 1279 T N -1.289 113.271 114.554 0.010 0.000 2.948 1279 T HA 0.605 4.955 4.350 0.000 0.000 0.285 1279 T C 0.957 175.662 174.700 0.008 0.000 1.019 1279 T CA -0.539 61.568 62.100 0.010 0.000 1.013 1279 T CB 1.491 70.365 68.868 0.010 0.000 1.117 1279 T HN 0.671 nan 8.240 nan 0.000 0.533 1280 A N 0.349 123.174 122.820 0.008 0.000 1.940 1280 A HA -0.082 4.238 4.320 0.000 0.000 0.219 1280 A C 1.926 179.513 177.584 0.005 0.000 1.176 1280 A CA 1.647 53.688 52.037 0.006 0.000 0.631 1280 A CB -1.070 17.934 19.000 0.007 0.000 0.814 1280 A HN 0.876 nan 8.150 nan 0.000 0.446 1281 E N -0.019 120.184 120.200 0.005 0.000 2.478 1281 E HA -0.042 4.309 4.350 0.000 0.000 0.198 1281 E C 1.256 177.858 176.600 0.003 0.000 1.046 1281 E CA 0.795 57.197 56.400 0.004 0.000 0.870 1281 E CB -0.067 29.635 29.700 0.004 0.000 0.818 1281 E HN 0.771 nan 8.360 nan 0.000 0.527 1282 E N -1.257 118.945 120.200 0.003 0.000 2.498 1282 E HA 0.212 4.562 4.350 0.000 0.000 0.203 1282 E C 0.958 177.559 176.600 0.001 0.000 1.013 1282 E CA 0.293 56.695 56.400 0.002 0.000 0.927 1282 E CB 0.744 30.445 29.700 0.002 0.000 1.012 1282 E HN 0.287 nan 8.360 nan 0.000 0.482 1283 G N 1.544 110.345 108.800 0.002 0.000 2.284 1283 G HA2 -0.246 3.714 3.960 0.000 0.000 0.216 1283 G HA3 -0.246 3.714 3.960 0.000 0.000 0.216 1283 G C 0.565 175.466 174.900 0.003 0.000 1.009 1283 G CA 0.291 45.392 45.100 0.002 0.000 0.625 1283 G HN 0.280 nan 8.290 nan 0.000 0.501 1284 T N 0.309 114.865 114.554 0.004 0.000 3.066 1284 T HA 0.457 4.807 4.350 0.000 0.000 0.318 1284 T C -1.434 173.270 174.700 0.007 0.000 0.979 1284 T CA 0.268 62.371 62.100 0.005 0.000 1.025 1284 T CB 1.410 70.280 68.868 0.004 0.000 1.002 1284 T HN 0.102 nan 8.240 nan 0.000 0.453 1285 D N 3.875 124.280 120.400 0.008 0.000 2.489 1285 D HA 0.111 4.751 4.640 0.000 0.000 0.237 1285 D C 1.199 177.507 176.300 0.014 0.000 1.212 1285 D CA 0.088 54.094 54.000 0.011 0.000 1.058 1285 D CB 0.547 41.353 40.800 0.010 0.000 1.098 1285 D HN 0.723 nan 8.370 nan 0.000 0.509 1286 E N 0.954 121.163 120.200 0.016 0.000 2.106 1286 E HA -0.112 4.238 4.350 0.000 0.000 0.192 1286 E C 2.033 178.648 176.600 0.025 0.000 0.984 1286 E CA 0.608 57.020 56.400 0.020 0.000 0.806 1286 E CB 0.405 30.118 29.700 0.022 0.000 0.750 1286 E HN 0.319 nan 8.360 nan 0.000 0.458 1287 V N 1.526 121.455 119.914 0.025 0.000 2.392 1287 V HA -0.290 3.830 4.120 0.000 0.000 0.249 1287 V C 2.331 178.440 176.094 0.025 0.000 1.059 1287 V CA 1.860 64.177 62.300 0.028 0.000 1.051 1287 V CB -0.693 31.144 31.823 0.024 0.000 0.658 1287 V HN 0.315 nan 8.190 nan 0.000 0.455 1288 A N -0.403 122.429 122.820 0.020 0.000 2.125 1288 A HA -0.078 4.242 4.320 0.000 0.000 0.219 1288 A C 1.992 179.587 177.584 0.019 0.000 1.156 1288 A CA 1.179 53.227 52.037 0.018 0.000 0.671 1288 A CB -0.333 18.675 19.000 0.014 0.000 0.794 1288 A HN 0.419 nan 8.150 nan 0.000 0.459 1289 L N -0.283 120.953 121.223 0.022 0.000 2.313 1289 L HA 0.164 4.504 4.340 0.000 0.000 0.214 1289 L C 0.856 177.743 176.870 0.027 0.000 1.119 1289 L CA 0.670 55.523 54.840 0.022 0.000 0.809 1289 L CB -1.157 40.915 42.059 0.023 0.000 0.933 1289 L HN 0.329 nan 8.230 nan 0.000 0.449 1290 I N 1.318 121.908 120.570 0.033 0.000 2.505 1290 I HA -0.031 4.140 4.170 0.000 0.000 0.287 1290 I C 1.001 177.139 176.117 0.035 0.000 1.104 1290 I CA -0.192 61.132 61.300 0.040 0.000 1.387 1290 I CB 0.228 38.258 38.000 0.050 0.000 1.404 1290 I HN 0.082 nan 8.210 nan 0.000 0.528 1291 K N 6.126 126.546 120.400 0.033 0.000 2.561 1291 K HA -0.105 4.215 4.320 0.000 0.000 0.280 1291 K C 0.189 176.807 176.600 0.031 0.000 0.975 1291 K CA 0.088 56.392 56.287 0.028 0.000 1.024 1291 K CB 0.503 33.018 32.500 0.026 0.000 0.883 1291 K HN 0.539 nan 8.250 nan 0.000 0.496 1292 E N 2.129 122.344 120.200 0.024 0.000 2.384 1292 E HA 0.117 4.467 4.350 0.000 0.000 0.266 1292 E C 0.623 177.239 176.600 0.027 0.000 1.012 1292 E CA 1.239 57.653 56.400 0.024 0.000 0.901 1292 E CB 0.345 30.056 29.700 0.018 0.000 0.967 1292 E HN 0.781 nan 8.360 nan 0.000 0.435 1293 G N 2.288 111.106 108.800 0.030 0.000 2.159 1293 G HA2 -0.291 3.669 3.960 0.000 0.000 0.256 1293 G HA3 -0.291 3.669 3.960 0.000 0.000 0.256 1293 G C 0.305 175.235 174.900 0.050 0.000 0.977 1293 G CA 0.099 45.220 45.100 0.034 0.000 0.652 1293 G HN 0.805 nan 8.290 nan 0.000 0.531 1294 A N -0.871 121.984 122.820 0.058 0.000 2.280 1294 A HA 0.781 5.101 4.320 0.000 0.000 0.268 1294 A C 0.460 178.112 177.584 0.113 0.000 1.111 1294 A CA 0.301 52.386 52.037 0.080 0.000 0.814 1294 A CB 1.068 20.115 19.000 0.078 0.000 1.093 1294 A HN 1.131 nan 8.150 nan 0.000 0.498 1295 V N 0.758 120.767 119.914 0.158 0.000 2.435 1295 V HA 0.451 4.571 4.120 0.000 0.000 0.290 1295 V C -0.456 175.797 176.094 0.265 0.000 1.030 1295 V CA -0.347 62.095 62.300 0.238 0.000 0.881 1295 V CB 1.081 33.084 31.823 0.300 0.000 0.983 1295 V HN 0.759 nan 8.190 nan 0.000 0.445 1296 L N 6.100 127.485 121.223 0.271 0.000 2.346 1296 L HA 0.755 5.095 4.340 0.000 0.000 0.276 1296 L C -0.586 176.474 176.870 0.316 0.000 1.006 1296 L CA -0.144 54.854 54.840 0.263 0.000 0.817 1296 L CB 1.698 43.858 42.059 0.168 0.000 1.272 1296 L HN 0.670 nan 8.230 nan 0.000 0.421 1297 M N 6.463 126.248 119.600 0.309 0.000 2.106 1297 M HA 0.575 5.055 4.480 0.000 0.000 0.288 1297 M C -1.116 175.251 176.300 0.111 0.000 0.941 1297 M CA -0.446 54.968 55.300 0.191 0.000 0.934 1297 M CB 1.583 34.259 32.600 0.128 0.000 1.551 1297 M HN 0.938 nan 8.290 nan 0.000 0.437 1298 C N -0.650 118.702 119.300 0.087 0.000 3.253 1298 C HA 0.468 4.928 4.460 0.000 0.000 0.362 1298 C C -0.841 174.236 174.990 0.145 0.000 1.487 1298 C CA -1.000 58.118 59.018 0.167 0.000 1.179 1298 C CB 1.743 29.587 27.740 0.172 0.000 1.660 1298 C HN 0.893 nan 8.230 nan 0.000 0.438 1299 H N 1.488 120.647 119.070 0.149 0.000 3.004 1299 H HA 0.409 4.965 4.556 0.000 0.000 0.267 1299 H C 0.401 175.752 175.328 0.038 0.000 1.165 1299 H CA 0.170 56.270 56.048 0.087 0.000 1.450 1299 H CB 0.700 30.541 29.762 0.131 0.000 1.488 1299 H HN 0.699 nan 8.280 nan 0.000 0.478 1300 L N 3.539 124.816 121.223 0.091 0.000 2.307 1300 L HA 0.059 4.399 4.340 0.000 0.000 0.211 1300 L C 1.746 178.684 176.870 0.113 0.000 1.099 1300 L CA 0.809 55.701 54.840 0.086 0.000 0.816 1300 L CB 0.030 42.087 42.059 -0.003 0.000 0.952 1300 L HN 0.936 nan 8.230 nan 0.000 0.455 1301 G N -0.179 108.695 108.800 0.124 0.000 2.203 1301 G HA2 -0.382 3.578 3.960 0.000 0.000 0.263 1301 G HA3 -0.382 3.578 3.960 0.000 0.000 0.263 1301 G C 1.168 176.082 174.900 0.023 0.000 1.012 1301 G CA 0.698 45.869 45.100 0.119 0.000 0.749 1301 G HN 0.471 nan 8.290 nan 0.000 0.512 1302 A N -0.018 122.784 122.820 -0.030 0.000 1.894 1302 A HA -0.132 4.188 4.320 0.000 0.000 0.220 1302 A C 2.368 179.921 177.584 -0.052 0.000 1.237 1302 A CA 1.998 54.000 52.037 -0.057 0.000 0.660 1302 A CB -0.471 18.457 19.000 -0.120 0.000 0.835 1302 A HN 1.087 nan 8.150 nan 0.000 0.461 1303 L N -0.965 120.217 121.223 -0.069 0.000 2.633 1303 L HA -0.048 4.292 4.340 0.000 0.000 0.235 1303 L C 1.310 178.174 176.870 -0.011 0.000 1.163 1303 L CA 1.228 56.042 54.840 -0.043 0.000 0.859 1303 L CB -0.598 41.430 42.059 -0.052 0.000 0.973 1303 L HN 0.386 nan 8.230 nan 0.000 0.451 1304 T N -1.928 112.625 114.554 -0.002 0.000 3.087 1304 T HA 0.134 4.484 4.350 0.000 0.000 0.283 1304 T C 0.187 174.893 174.700 0.011 0.000 0.956 1304 T CA -0.134 61.972 62.100 0.009 0.000 0.894 1304 T CB 0.221 69.100 68.868 0.019 0.000 1.160 1304 T HN 0.211 nan 8.240 nan 0.000 0.532 1305 N N 0.966 119.671 118.700 0.008 0.000 2.703 1305 N HA 0.322 5.062 4.740 0.000 0.000 0.283 1305 N C 0.850 176.363 175.510 0.005 0.000 1.851 1305 N CA -0.350 52.706 53.050 0.010 0.000 0.826 1305 N CB 0.746 39.244 38.487 0.017 0.000 1.239 1305 N HN -0.013 nan 8.380 nan 0.000 0.495 1306 R N 0.934 121.436 120.500 0.003 0.000 2.117 1306 R HA -0.097 4.243 4.340 0.000 0.000 0.243 1306 R C -0.681 175.621 176.300 0.004 0.000 1.143 1306 R CA 1.421 57.522 56.100 0.003 0.000 0.968 1306 R CB -0.809 29.494 30.300 0.006 0.000 0.863 1306 R HN 0.388 nan 8.270 nan 0.000 0.444 1307 P HA -0.141 nan 4.420 nan 0.000 0.220 1307 P C 1.492 178.796 177.300 0.007 0.000 1.148 1307 P CA 1.053 64.157 63.100 0.006 0.000 0.803 1307 P CB -0.001 31.703 31.700 0.007 0.000 0.782 1308 V N 1.059 120.978 119.914 0.008 0.000 2.453 1308 V HA -0.149 3.971 4.120 0.000 0.000 0.247 1308 V C 2.675 178.774 176.094 0.008 0.000 1.048 1308 V CA 1.849 64.155 62.300 0.011 0.000 1.049 1308 V CB -0.852 30.980 31.823 0.016 0.000 0.672 1308 V HN 0.029 nan 8.190 nan 0.000 0.457 1309 V N -1.137 118.778 119.914 0.002 0.000 2.427 1309 V HA -0.199 3.921 4.120 0.000 0.000 0.248 1309 V C 2.228 178.322 176.094 -0.000 0.000 1.051 1309 V CA 2.290 64.587 62.300 -0.004 0.000 1.048 1309 V CB -0.972 30.845 31.823 -0.011 0.000 0.666 1309 V HN 0.692 nan 8.190 nan 0.000 0.456 1310 E N 1.555 121.757 120.200 0.003 0.000 2.072 1310 E HA -0.071 4.279 4.350 0.000 0.000 0.191 1310 E C 2.439 179.042 176.600 0.006 0.000 0.985 1310 E CA 1.305 57.708 56.400 0.004 0.000 0.801 1310 E CB -0.436 29.267 29.700 0.005 0.000 0.750 1310 E HN 0.717 nan 8.360 nan 0.000 0.452 1311 A N 1.408 124.232 122.820 0.008 0.000 1.933 1311 A HA -0.152 4.168 4.320 0.000 0.000 0.218 1311 A C 2.129 179.720 177.584 0.012 0.000 1.175 1311 A CA 0.965 53.008 52.037 0.010 0.000 0.628 1311 A CB -0.296 18.711 19.000 0.012 0.000 0.814 1311 A HN 0.086 nan 8.150 nan 0.000 0.444 1312 L N -0.240 120.989 121.223 0.011 0.000 2.056 1312 L HA -0.089 4.252 4.340 0.000 0.000 0.207 1312 L C 2.666 179.541 176.870 0.009 0.000 1.078 1312 L CA 2.385 57.233 54.840 0.013 0.000 0.749 1312 L CB -1.793 40.272 42.059 0.010 0.000 0.901 1312 L HN 0.371 nan 8.230 nan 0.000 0.433 1313 T N -0.868 113.688 114.554 0.003 0.000 2.788 1313 T HA -0.168 4.183 4.350 0.000 0.000 0.268 1313 T C 1.954 176.657 174.700 0.005 0.000 1.044 1313 T CA 0.940 63.041 62.100 0.001 0.000 1.139 1313 T CB -0.014 68.854 68.868 -0.001 0.000 0.867 1313 T HN 0.019 nan 8.240 nan 0.000 0.454 1314 K N 1.220 121.624 120.400 0.006 0.000 2.209 1314 K HA 0.081 4.401 4.320 0.000 0.000 0.204 1314 K C 1.912 178.517 176.600 0.009 0.000 1.048 1314 K CA 0.950 57.241 56.287 0.007 0.000 0.940 1314 K CB -0.137 32.367 32.500 0.008 0.000 0.729 1314 K HN 0.309 nan 8.250 nan 0.000 0.451 1315 R N 0.355 120.862 120.500 0.012 0.000 2.388 1315 R HA 0.137 4.477 4.340 0.000 0.000 0.247 1315 R C -0.156 176.154 176.300 0.017 0.000 0.931 1315 R CA -0.095 56.014 56.100 0.015 0.000 1.082 1315 R CB 0.204 30.515 30.300 0.019 0.000 1.135 1315 R HN 0.046 nan 8.270 nan 0.000 0.525 1316 K N 0.892 121.299 120.400 0.013 0.000 3.035 1316 K HA -0.187 4.134 4.320 0.000 0.000 0.262 1316 K C -0.518 176.093 176.600 0.019 0.000 1.024 1316 K CA 0.664 56.959 56.287 0.013 0.000 0.748 1316 K CB -1.354 31.154 32.500 0.013 0.000 1.247 1316 K HN 0.316 nan 8.250 nan 0.000 0.482 1317 I N 1.340 121.922 120.570 0.020 0.000 2.371 1317 I HA 0.018 4.188 4.170 0.000 0.000 0.290 1317 I C 0.861 176.987 176.117 0.015 0.000 1.028 1317 I CA -0.148 61.171 61.300 0.032 0.000 1.345 1317 I CB 1.308 39.332 38.000 0.040 0.000 1.407 1317 I HN -0.032 nan 8.210 nan 0.000 0.501 1318 T N 6.455 121.026 114.554 0.028 0.000 2.761 1318 T HA 0.465 4.815 4.350 0.000 0.000 0.296 1318 T C 0.094 174.766 174.700 -0.048 0.000 0.934 1318 T CA -0.418 61.664 62.100 -0.030 0.000 1.091 1318 T CB 0.673 69.562 68.868 0.035 0.000 0.896 1318 T HN 0.681 nan 8.240 nan 0.000 0.515 1319 A N 3.871 126.585 122.820 -0.177 0.000 2.331 1319 A HA 0.696 5.016 4.320 0.000 0.000 0.320 1319 A C -1.348 176.045 177.584 -0.318 0.000 1.138 1319 A CA -0.734 51.231 52.037 -0.121 0.000 0.790 1319 A CB 0.768 19.741 19.000 -0.045 0.000 1.206 1319 A HN 0.822 nan 8.150 nan 0.000 0.470 1320 Y N 1.493 121.820 120.300 0.046 0.000 2.402 1320 Y HA 0.487 5.037 4.550 0.000 0.000 0.332 1320 Y C 0.783 176.626 175.900 -0.096 0.000 0.960 1320 Y CA -0.349 57.751 58.100 -0.001 0.000 1.228 1320 Y CB 1.756 40.259 38.460 0.072 0.000 1.120 1320 Y HN 0.790 nan 8.280 nan 0.000 0.491 1321 A N 5.147 127.939 122.820 -0.047 0.000 2.544 1321 A HA 0.165 4.486 4.320 0.000 0.000 0.301 1321 A C 1.161 178.627 177.584 -0.197 0.000 1.368 1321 A CA -0.354 51.609 52.037 -0.122 0.000 1.045 1321 A CB -0.043 18.860 19.000 -0.162 0.000 1.129 1321 A HN 0.846 nan 8.150 nan 0.000 0.540 1322 M N 1.637 121.095 119.600 -0.237 0.000 2.358 1322 M HA -0.126 4.354 4.480 0.000 0.000 0.264 1322 M C 2.002 178.096 176.300 -0.343 0.000 1.064 1322 M CA 1.383 56.473 55.300 -0.351 0.000 1.093 1322 M CB -0.838 31.542 32.600 -0.367 0.000 1.401 1322 M HN 0.922 nan 8.290 nan 0.000 0.440 1323 E N 0.562 120.525 120.200 -0.395 0.000 2.427 1323 E HA -0.095 4.256 4.350 0.000 0.000 0.196 1323 E C 1.524 177.975 176.600 -0.249 0.000 1.028 1323 E CA 0.713 56.873 56.400 -0.400 0.000 0.864 1323 E CB -0.680 28.598 29.700 -0.704 0.000 0.813 1323 E HN 0.494 nan 8.360 nan 0.000 0.514 1324 L N 0.797 121.884 121.223 -0.227 0.000 2.629 1324 L HA 0.233 4.573 4.340 0.000 0.000 0.230 1324 L C 0.925 177.724 176.870 -0.118 0.000 1.151 1324 L CA -0.588 54.157 54.840 -0.157 0.000 0.924 1324 L CB -0.317 41.639 42.059 -0.172 0.000 1.137 1324 L HN 0.054 nan 8.230 nan 0.000 0.457 1325 M N 2.021 121.527 119.600 -0.156 0.000 2.327 1325 M HA 0.120 4.600 4.480 0.000 0.000 0.353 1325 M C -2.136 174.127 176.300 -0.062 0.000 1.539 1325 M CA -1.584 53.638 55.300 -0.130 0.000 1.039 1325 M CB -0.072 32.420 32.600 -0.180 0.000 1.967 1325 M HN -0.220 nan 8.290 nan 0.000 0.459 1326 P HA 0.039 nan 4.420 nan 0.000 0.266 1326 P C -0.966 176.331 177.300 -0.006 0.000 1.195 1326 P CA 0.267 63.369 63.100 0.002 0.000 0.768 1326 P CB 0.322 32.040 31.700 0.029 0.000 0.838 1327 R N 3.649 124.146 120.500 -0.005 0.000 3.710 1327 R HA 0.248 4.588 4.340 0.000 0.000 0.201 1327 R C 0.300 176.599 176.300 -0.001 0.000 1.641 1327 R CA -0.086 56.009 56.100 -0.007 0.000 1.390 1327 R CB -0.838 29.458 30.300 -0.007 0.000 1.341 1327 R HN 0.548 nan 8.270 nan 0.000 0.728 1328 I N -3.166 117.405 120.570 0.002 0.000 2.646 1328 I HA 0.318 4.488 4.170 0.000 0.000 0.299 1328 I C 1.365 177.484 176.117 0.003 0.000 1.036 1328 I CA -0.781 60.523 61.300 0.006 0.000 1.074 1328 I CB 2.146 40.154 38.000 0.014 0.000 1.258 1328 I HN 0.031 nan 8.210 nan 0.000 0.430 1329 S N 4.185 119.886 115.700 0.001 0.000 2.393 1329 S HA -0.300 4.170 4.470 0.000 0.000 0.235 1329 S C 1.944 176.543 174.600 -0.002 0.000 1.061 1329 S CA 2.767 60.966 58.200 -0.002 0.000 1.129 1329 S CB -0.459 62.739 63.200 -0.002 0.000 1.011 1329 S HN 0.905 nan 8.310 nan 0.000 0.436 1330 R N 0.781 121.282 120.500 0.003 0.000 2.241 1330 R HA 0.136 4.476 4.340 0.000 0.000 0.224 1330 R C 1.952 178.257 176.300 0.009 0.000 1.101 1330 R CA 1.210 57.311 56.100 0.003 0.000 0.995 1330 R CB -0.503 29.800 30.300 0.005 0.000 0.870 1330 R HN 0.403 nan 8.270 nan 0.000 0.463 1331 A N 0.927 123.754 122.820 0.013 0.000 2.275 1331 A HA 0.072 4.392 4.320 0.000 0.000 0.212 1331 A C 1.662 179.238 177.584 -0.013 0.000 1.201 1331 A CA -0.178 51.868 52.037 0.016 0.000 0.843 1331 A CB 0.044 19.057 19.000 0.022 0.000 0.873 1331 A HN 0.353 nan 8.150 nan 0.000 0.492 1332 Q N 0.263 120.053 119.800 -0.016 0.000 2.226 1332 Q HA -0.149 4.192 4.340 0.000 0.000 0.204 1332 Q C 2.109 178.087 176.000 -0.037 0.000 0.975 1332 Q CA 1.743 57.531 55.803 -0.026 0.000 0.866 1332 Q CB -0.155 28.572 28.738 -0.018 0.000 0.915 1332 Q HN 0.808 nan 8.270 nan 0.000 0.440 1333 S N -0.996 114.685 115.700 -0.032 0.000 2.562 1333 S HA 0.060 4.530 4.470 0.000 0.000 0.221 1333 S C 1.519 176.084 174.600 -0.059 0.000 0.975 1333 S CA 0.253 58.429 58.200 -0.040 0.000 0.918 1333 S CB 0.132 63.315 63.200 -0.028 0.000 0.772 1333 S HN 0.262 nan 8.310 nan 0.000 0.531 1334 M N 0.844 120.409 119.600 -0.057 0.000 2.313 1334 M HA 0.327 4.807 4.480 0.000 0.000 0.273 1334 M C -0.283 175.910 176.300 -0.179 0.000 1.049 1334 M CA -0.114 55.134 55.300 -0.086 0.000 1.004 1334 M CB 0.201 32.815 32.600 0.023 0.000 1.461 1334 M HN 0.071 nan 8.290 nan 0.000 0.514 1335 D N 1.924 122.237 120.400 -0.146 0.000 2.352 1335 D HA 0.141 4.782 4.640 0.000 0.000 0.245 1335 D C 1.267 177.452 176.300 -0.193 0.000 1.224 1335 D CA -0.074 53.828 54.000 -0.163 0.000 0.879 1335 D CB 0.684 41.425 40.800 -0.099 0.000 1.057 1335 D HN 0.363 nan 8.370 nan 0.000 0.491 1336 I N 0.950 121.352 120.570 -0.280 0.000 2.394 1336 I HA -0.127 4.043 4.170 0.000 0.000 0.251 1336 I C 1.391 177.457 176.117 -0.085 0.000 1.136 1336 I CA 0.398 61.516 61.300 -0.303 0.000 1.425 1336 I CB -0.148 37.536 38.000 -0.527 0.000 1.079 1336 I HN 0.284 nan 8.210 nan 0.000 0.425 1337 L N 1.363 122.551 121.223 -0.058 0.000 2.083 1337 L HA -0.140 4.200 4.340 0.000 0.000 0.209 1337 L C 2.714 179.591 176.870 0.013 0.000 1.083 1337 L CA 1.713 56.561 54.840 0.013 0.000 0.752 1337 L CB -0.978 41.078 42.059 -0.006 0.000 0.899 1337 L HN 0.290 nan 8.230 nan 0.000 0.433 1338 S N -1.122 114.567 115.700 -0.018 0.000 2.357 1338 S HA -0.128 4.342 4.470 0.000 0.000 0.221 1338 S C 2.091 176.692 174.600 0.002 0.000 1.031 1338 S CA 1.206 59.402 58.200 -0.007 0.000 0.982 1338 S CB -0.297 62.890 63.200 -0.022 0.000 0.853 1338 S HN 0.659 nan 8.310 nan 0.000 0.458 1339 S N 1.703 117.394 115.700 -0.015 0.000 2.383 1339 S HA -0.087 4.383 4.470 0.000 0.000 0.227 1339 S C 1.800 176.424 174.600 0.040 0.000 1.026 1339 S CA 0.661 58.861 58.200 0.001 0.000 0.981 1339 S CB -0.384 62.800 63.200 -0.026 0.000 0.818 1339 S HN 0.330 nan 8.310 nan 0.000 0.472 1340 Q N 1.787 121.626 119.800 0.066 0.000 2.137 1340 Q HA 0.030 4.370 4.340 0.000 0.000 0.198 1340 Q C 2.710 178.756 176.000 0.076 0.000 0.960 1340 Q CA 1.619 57.479 55.803 0.095 0.000 0.847 1340 Q CB -0.833 27.993 28.738 0.146 0.000 0.915 1340 Q HN 0.823 nan 8.270 nan 0.000 0.448 1341 S N 1.082 116.822 115.700 0.066 0.000 2.402 1341 S HA -0.148 4.322 4.470 0.000 0.000 0.229 1341 S C 1.762 176.402 174.600 0.068 0.000 1.021 1341 S CA 1.259 59.497 58.200 0.064 0.000 0.974 1341 S CB -0.313 62.920 63.200 0.055 0.000 0.800 1341 S HN 0.286 nan 8.310 nan 0.000 0.484 1342 N N 2.016 120.751 118.700 0.059 0.000 2.043 1342 N HA -0.007 4.733 4.740 0.000 0.000 0.193 1342 N C 1.617 177.182 175.510 0.092 0.000 1.037 1342 N CA 1.750 54.838 53.050 0.063 0.000 0.851 1342 N CB -0.645 37.865 38.487 0.039 0.000 1.027 1342 N HN 0.466 nan 8.380 nan 0.000 0.422 1343 L N -0.351 120.923 121.223 0.084 0.000 2.131 1343 L HA -0.052 4.288 4.340 0.000 0.000 0.210 1343 L C 2.329 179.298 176.870 0.166 0.000 1.092 1343 L CA 1.051 55.962 54.840 0.118 0.000 0.759 1343 L CB -0.515 41.591 42.059 0.078 0.000 0.903 1343 L HN 0.240 nan 8.230 nan 0.000 0.435 1344 A N 0.205 123.092 122.820 0.112 0.000 1.969 1344 A HA -0.077 4.243 4.320 0.000 0.000 0.218 1344 A C 2.388 180.026 177.584 0.090 0.000 1.169 1344 A CA 1.529 53.621 52.037 0.092 0.000 0.635 1344 A CB -0.994 18.047 19.000 0.070 0.000 0.810 1344 A HN 0.428 nan 8.150 nan 0.000 0.445 1345 G N -1.559 107.303 108.800 0.104 0.000 2.408 1345 G HA2 -0.221 3.740 3.960 0.000 0.000 0.217 1345 G HA3 -0.221 3.740 3.960 0.000 0.000 0.217 1345 G C 1.526 176.486 174.900 0.099 0.000 1.150 1345 G CA 1.177 46.334 45.100 0.094 0.000 0.776 1345 G HN 0.650 nan 8.290 nan 0.000 0.542 1346 Y N 1.405 121.722 120.300 0.029 0.000 2.163 1346 Y HA -0.068 4.482 4.550 -0.000 0.000 0.288 1346 Y C 2.860 178.768 175.900 0.014 0.000 1.136 1346 Y CA 1.975 60.088 58.100 0.020 0.000 1.147 1346 Y CB -0.119 38.348 38.460 0.012 0.000 0.987 1346 Y HN 0.135 nan 8.280 nan 0.000 0.509 1347 R N 1.136 121.580 120.500 -0.093 0.000 2.152 1347 R HA -0.089 4.251 4.340 0.000 0.000 0.232 1347 R C 2.216 178.424 176.300 -0.154 0.000 1.117 1347 R CA 1.362 57.352 56.100 -0.183 0.000 0.981 1347 R CB -0.930 29.378 30.300 0.013 0.000 0.870 1347 R HN 0.499 nan 8.270 nan 0.000 0.451 1348 A N -0.462 122.317 122.820 -0.069 0.000 1.933 1348 A HA -0.083 4.237 4.320 0.000 0.000 0.218 1348 A C 2.213 179.770 177.584 -0.046 0.000 1.175 1348 A CA 1.660 53.686 52.037 -0.018 0.000 0.628 1348 A CB -0.531 18.483 19.000 0.023 0.000 0.814 1348 A HN 0.180 nan 8.150 nan 0.000 0.444 1349 V N 0.457 120.304 119.914 -0.111 0.000 2.427 1349 V HA -0.202 3.919 4.120 0.000 0.000 0.248 1349 V C 2.389 178.331 176.094 -0.253 0.000 1.051 1349 V CA 1.473 63.700 62.300 -0.122 0.000 1.048 1349 V CB -0.613 31.135 31.823 -0.126 0.000 0.666 1349 V HN 0.494 nan 8.190 nan 0.000 0.456 1350 I N 0.249 120.607 120.570 -0.354 0.000 2.252 1350 I HA -0.160 4.011 4.170 0.000 0.000 0.245 1350 I C 2.276 178.327 176.117 -0.111 0.000 1.102 1350 I CA 1.580 62.699 61.300 -0.301 0.000 1.385 1350 I CB -1.191 36.580 38.000 -0.381 0.000 1.064 1350 I HN 0.340 nan 8.210 nan 0.000 0.414 1351 D N 0.853 121.216 120.400 -0.062 0.000 2.144 1351 D HA -0.097 4.544 4.640 0.000 0.000 0.200 1351 D C 2.251 178.634 176.300 0.140 0.000 0.978 1351 D CA 1.450 55.492 54.000 0.069 0.000 0.833 1351 D CB -0.360 40.513 40.800 0.122 0.000 0.961 1351 D HN 0.350 nan 8.370 nan 0.000 0.470 1352 G N 0.989 109.838 108.800 0.081 0.000 2.421 1352 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 1352 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 1352 G C 1.733 176.758 174.900 0.207 0.000 1.171 1352 G CA 1.302 46.480 45.100 0.131 0.000 0.775 1352 G HN 0.388 nan 8.290 nan 0.000 0.543 1353 A N -0.194 122.660 122.820 0.057 0.000 1.933 1353 A HA -0.021 4.299 4.320 0.000 0.000 0.218 1353 A C 2.206 179.892 177.584 0.171 0.000 1.175 1353 A CA 1.679 53.736 52.037 0.032 0.000 0.628 1353 A CB -0.670 18.046 19.000 -0.474 0.000 0.814 1353 A HN 0.477 nan 8.150 nan 0.000 0.444 1354 Y N 0.811 121.125 120.300 0.025 0.000 2.181 1354 Y HA -0.179 4.371 4.550 0.000 0.000 0.288 1354 Y C 2.110 178.066 175.900 0.093 0.000 1.146 1354 Y CA 2.174 60.299 58.100 0.043 0.000 1.164 1354 Y CB 0.088 38.561 38.460 0.021 0.000 0.982 1354 Y HN 0.325 nan 8.280 nan 0.000 0.515 1355 E N -0.546 119.787 120.200 0.222 0.000 2.435 1355 E HA -0.069 4.281 4.350 0.000 0.000 0.195 1355 E C -0.223 176.491 176.600 0.191 0.000 1.029 1355 E CA 0.092 56.583 56.400 0.152 0.000 0.865 1355 E CB -0.332 29.486 29.700 0.197 0.000 0.833 1355 E HN 0.233 nan 8.360 nan 0.000 0.510 1356 F N 1.398 121.381 119.950 0.055 0.000 2.427 1356 F HA 0.312 4.839 4.527 0.001 0.000 0.352 1356 F C 1.050 176.866 175.800 0.027 0.000 1.100 1356 F CA -1.149 56.894 58.000 0.072 0.000 1.191 1356 F CB 1.092 40.201 39.000 0.182 0.000 1.128 1356 F HN -0.162 nan 8.300 nan 0.000 0.533 1357 A N 6.868 129.510 122.820 -0.298 0.000 2.276 1357 A HA 0.257 4.577 4.320 0.000 0.000 0.212 1357 A C 0.832 178.118 177.584 -0.496 0.000 1.230 1357 A CA 0.091 51.933 52.037 -0.326 0.000 0.844 1357 A CB -0.413 18.464 19.000 -0.204 0.000 0.860 1357 A HN 0.745 nan 8.150 nan 0.000 0.486 1358 R N -1.845 118.117 120.500 -0.898 0.000 2.888 1358 R HA 0.685 5.025 4.340 0.000 0.000 0.264 1358 R C -0.478 175.685 176.300 -0.228 0.000 1.045 1358 R CA -0.424 55.291 56.100 -0.642 0.000 0.962 1358 R CB 1.740 31.525 30.300 -0.858 0.000 1.210 1358 R HN 0.220 nan 8.270 nan 0.000 0.479 1359 A N 0.664 123.473 122.820 -0.018 0.000 2.302 1359 A HA 0.349 4.669 4.320 0.000 0.000 0.285 1359 A C 0.239 178.031 177.584 0.347 0.000 1.105 1359 A CA -0.334 51.803 52.037 0.167 0.000 0.816 1359 A CB 0.169 19.226 19.000 0.094 0.000 1.067 1359 A HN 0.797 nan 8.150 nan 0.000 0.489 1360 F N 1.206 121.242 119.950 0.143 0.000 2.163 1360 F HA 0.036 4.563 4.527 0.000 0.000 0.297 1360 F C -1.046 174.812 175.800 0.095 0.000 1.094 1360 F CA 0.664 58.752 58.000 0.147 0.000 1.290 1360 F CB -0.059 39.006 39.000 0.108 0.000 1.017 1360 F HN 0.356 nan 8.300 nan 0.000 0.483 1361 P HA 0.087 nan 4.420 nan 0.000 0.284 1361 P C -0.833 176.522 177.300 0.092 0.000 1.258 1361 P CA -0.441 62.744 63.100 0.142 0.000 0.824 1361 P CB 1.177 32.952 31.700 0.125 0.000 1.038 1362 M N 2.631 122.268 119.600 0.062 0.000 2.252 1362 M HA 0.240 4.720 4.480 0.000 0.000 0.348 1362 M C -0.869 175.455 176.300 0.041 0.000 1.334 1362 M CA 0.754 56.079 55.300 0.042 0.000 1.071 1362 M CB -0.081 32.538 32.600 0.030 0.000 1.763 1362 M HN 0.208 nan 8.290 nan 0.000 0.452 1363 M N 5.505 125.125 119.600 0.033 0.000 2.227 1363 M HA 0.477 4.957 4.480 0.000 0.000 0.335 1363 M C -1.280 175.031 176.300 0.019 0.000 1.053 1363 M CA -0.065 55.252 55.300 0.028 0.000 0.973 1363 M CB 1.940 34.555 32.600 0.026 0.000 1.623 1363 M HN 0.793 nan 8.290 nan 0.000 0.434 1364 M N 3.732 123.342 119.600 0.018 0.000 2.047 1364 M HA 0.398 4.878 4.480 0.000 0.000 0.342 1364 M C -0.369 175.938 176.300 0.011 0.000 1.058 1364 M CA -0.509 54.799 55.300 0.013 0.000 0.991 1364 M CB 1.128 33.736 32.600 0.013 0.000 1.474 1364 M HN 0.677 nan 8.290 nan 0.000 0.419 1365 T N -0.687 113.872 114.554 0.008 0.000 2.930 1365 T HA 0.689 5.040 4.350 0.000 0.000 0.290 1365 T C 0.915 175.618 174.700 0.004 0.000 1.052 1365 T CA -0.626 61.478 62.100 0.006 0.000 1.017 1365 T CB 1.814 70.684 68.868 0.004 0.000 1.137 1365 T HN 0.567 nan 8.240 nan 0.000 0.511 1366 A N 0.429 123.251 122.820 0.003 0.000 2.125 1366 A HA 0.305 4.625 4.320 0.000 0.000 0.219 1366 A C 2.289 179.873 177.584 0.001 0.000 1.156 1366 A CA 1.507 53.545 52.037 0.002 0.000 0.671 1366 A CB -1.240 17.761 19.000 0.002 0.000 0.794 1366 A HN 1.268 nan 8.150 nan 0.000 0.459 1367 A N -1.712 121.108 122.820 0.000 0.000 2.178 1367 A HA 0.502 4.822 4.320 0.000 0.000 0.211 1367 A C 1.222 178.805 177.584 -0.001 0.000 1.157 1367 A CA 1.263 53.299 52.037 -0.001 0.000 0.780 1367 A CB -0.432 18.566 19.000 -0.003 0.000 0.828 1367 A HN 1.851 nan 8.150 nan 0.000 0.476 1368 G N -1.865 106.935 108.800 0.000 0.000 2.369 1368 G HA2 0.414 4.375 3.960 0.000 0.000 0.295 1368 G HA3 0.414 4.375 3.960 0.000 0.000 0.295 1368 G C -0.462 174.439 174.900 0.002 0.000 1.298 1368 G CA -0.165 44.936 45.100 0.001 0.000 0.940 1368 G HN 1.072 nan 8.290 nan 0.000 0.536 1369 T N -2.016 112.539 114.554 0.003 0.000 2.807 1369 T HA 0.750 5.100 4.350 0.000 0.000 0.279 1369 T C 0.022 174.725 174.700 0.005 0.000 0.993 1369 T CA -0.055 62.049 62.100 0.006 0.000 0.970 1369 T CB 1.373 70.246 68.868 0.008 0.000 0.950 1369 T HN 2.032 nan 8.240 nan 0.000 0.441 1370 V N 1.191 121.109 119.914 0.007 0.000 2.394 1370 V HA 0.691 4.811 4.120 0.000 0.000 0.282 1370 V C -2.408 173.694 176.094 0.014 0.000 1.031 1370 V CA -2.739 59.564 62.300 0.005 0.000 0.881 1370 V CB 0.786 32.609 31.823 -0.000 0.000 0.982 1370 V HN 0.829 nan 8.190 nan 0.000 0.451 1371 P HA 0.213 nan 4.420 nan 0.000 0.269 1371 P C -2.543 174.772 177.300 0.025 0.000 1.217 1371 P CA -0.733 62.377 63.100 0.016 0.000 0.783 1371 P CB -0.086 31.621 31.700 0.011 0.000 0.898 1372 P HA 0.152 nan 4.420 nan 0.000 0.276 1372 P C -0.436 176.858 177.300 -0.010 0.000 1.252 1372 P CA -0.231 62.882 63.100 0.021 0.000 0.802 1372 P CB 0.521 32.230 31.700 0.014 0.000 1.035 1373 A N 2.757 125.536 122.820 -0.068 0.000 2.351 1373 A HA 0.320 4.640 4.320 0.000 0.000 0.257 1373 A C 0.329 177.772 177.584 -0.235 0.000 1.087 1373 A CA -0.412 51.526 52.037 -0.165 0.000 0.798 1373 A CB -0.007 18.710 19.000 -0.472 0.000 1.033 1373 A HN 0.474 nan 8.150 nan 0.000 0.488 1374 R N 0.613 120.984 120.500 -0.214 0.000 2.338 1374 R HA 0.539 4.880 4.340 0.000 0.000 0.317 1374 R C -1.300 174.859 176.300 -0.234 0.000 0.968 1374 R CA -0.459 55.536 56.100 -0.175 0.000 0.849 1374 R CB 1.676 31.915 30.300 -0.102 0.000 1.128 1374 R HN 0.460 nan 8.270 nan 0.000 0.448 1375 V N 4.423 124.220 119.914 -0.196 0.000 2.715 1375 V HA 0.494 4.614 4.120 0.000 0.000 0.310 1375 V C -0.391 175.646 176.094 -0.095 0.000 1.054 1375 V CA -0.932 61.271 62.300 -0.162 0.000 0.928 1375 V CB 2.273 34.013 31.823 -0.138 0.000 1.007 1375 V HN 0.600 nan 8.190 nan 0.000 0.437 1376 L N 3.757 124.947 121.223 -0.055 0.000 2.404 1376 L HA 0.614 4.954 4.340 0.000 0.000 0.272 1376 L C -1.277 175.588 176.870 -0.009 0.000 0.980 1376 L CA -0.509 54.282 54.840 -0.083 0.000 0.836 1376 L CB 1.937 43.956 42.059 -0.068 0.000 1.238 1376 L HN 0.465 nan 8.230 nan 0.000 0.408 1377 V N 4.782 124.648 119.914 -0.080 0.000 2.370 1377 V HA 0.360 4.480 4.120 0.000 0.000 0.279 1377 V C -0.444 175.612 176.094 -0.064 0.000 1.029 1377 V CA -0.319 61.995 62.300 0.024 0.000 0.870 1377 V CB 1.257 33.097 31.823 0.029 0.000 0.984 1377 V HN 0.411 nan 8.190 nan 0.000 0.451 1378 F N 2.926 122.866 119.950 -0.017 0.000 2.391 1378 F HA 0.702 5.229 4.527 0.000 0.000 0.359 1378 F C 0.904 176.711 175.800 0.013 0.000 1.122 1378 F CA -0.195 57.797 58.000 -0.014 0.000 1.120 1378 F CB 1.385 40.377 39.000 -0.014 0.000 1.142 1378 F HN 0.763 nan 8.300 nan 0.000 0.483 1379 G N 2.332 111.223 108.800 0.152 0.000 3.391 1379 G HA2 -0.018 3.942 3.960 0.000 0.000 0.683 1379 G HA3 -0.018 3.942 3.960 0.000 0.000 0.683 1379 G C -0.973 173.989 174.900 0.104 0.000 1.071 1379 G CA -1.012 44.164 45.100 0.128 0.000 0.904 1379 G HN 0.625 nan 8.290 nan 0.000 0.452 1380 V N 3.651 123.629 119.914 0.107 0.000 2.615 1380 V HA 0.596 4.716 4.120 0.000 0.000 0.308 1380 V C 1.514 177.659 176.094 0.085 0.000 1.257 1380 V CA 0.564 62.927 62.300 0.105 0.000 1.454 1380 V CB 0.016 31.929 31.823 0.150 0.000 1.537 1380 V HN 1.180 nan 8.190 nan 0.000 0.566 1381 G N 0.360 109.204 108.800 0.074 0.000 2.714 1381 G HA2 0.336 4.296 3.960 0.000 0.000 0.197 1381 G HA3 0.336 4.296 3.960 0.000 0.000 0.197 1381 G C 1.107 176.039 174.900 0.053 0.000 1.449 1381 G CA 0.134 45.269 45.100 0.058 0.000 1.065 1381 G HN 0.083 nan 8.290 nan 0.000 0.575 1382 V N 1.023 120.964 119.914 0.045 0.000 2.307 1382 V HA -0.104 4.016 4.120 0.000 0.000 0.245 1382 V C 3.324 179.451 176.094 0.055 0.000 1.045 1382 V CA 2.454 64.780 62.300 0.043 0.000 1.024 1382 V CB -0.988 30.855 31.823 0.033 0.000 0.651 1382 V HN 0.720 nan 8.190 nan 0.000 0.449 1383 A N 0.550 123.406 122.820 0.060 0.000 1.902 1383 A HA -0.087 4.233 4.320 0.000 0.000 0.217 1383 A C 2.406 180.035 177.584 0.075 0.000 1.181 1383 A CA 1.952 54.031 52.037 0.070 0.000 0.623 1383 A CB -1.225 17.815 19.000 0.067 0.000 0.818 1383 A HN 0.531 nan 8.150 nan 0.000 0.443 1384 G N -0.416 108.428 108.800 0.074 0.000 2.408 1384 G HA2 -0.121 3.839 3.960 0.000 0.000 0.217 1384 G HA3 -0.121 3.839 3.960 0.000 0.000 0.217 1384 G C 1.550 176.495 174.900 0.075 0.000 1.150 1384 G CA 0.926 46.074 45.100 0.079 0.000 0.776 1384 G HN 0.419 nan 8.290 nan 0.000 0.542 1385 L N -0.321 120.945 121.223 0.070 0.000 2.056 1385 L HA -0.097 4.243 4.340 0.000 0.000 0.207 1385 L C 2.949 179.862 176.870 0.072 0.000 1.078 1385 L CA 1.399 56.279 54.840 0.066 0.000 0.749 1385 L CB -0.285 41.807 42.059 0.055 0.000 0.901 1385 L HN 0.259 nan 8.230 nan 0.000 0.433 1386 Q N 0.114 119.961 119.800 0.079 0.000 2.167 1386 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 1386 Q C 2.087 178.154 176.000 0.112 0.000 0.970 1386 Q CA 1.746 57.608 55.803 0.099 0.000 0.855 1386 Q CB -0.142 28.665 28.738 0.114 0.000 0.911 1386 Q HN 0.426 nan 8.270 nan 0.000 0.438 1387 A N 0.039 122.916 122.820 0.096 0.000 1.930 1387 A HA -0.108 4.213 4.320 0.000 0.000 0.217 1387 A C 2.077 179.716 177.584 0.091 0.000 1.175 1387 A CA 1.339 53.428 52.037 0.087 0.000 0.627 1387 A CB -0.619 18.428 19.000 0.078 0.000 0.815 1387 A HN 0.458 nan 8.150 nan 0.000 0.443 1388 I N -0.311 120.309 120.570 0.082 0.000 2.252 1388 I HA -0.256 3.914 4.170 0.000 0.000 0.245 1388 I C 2.973 179.140 176.117 0.083 0.000 1.102 1388 I CA 1.003 62.347 61.300 0.075 0.000 1.385 1388 I CB -0.345 37.693 38.000 0.064 0.000 1.064 1388 I HN 0.353 nan 8.210 nan 0.000 0.414 1389 A N 0.404 123.275 122.820 0.085 0.000 1.902 1389 A HA -0.197 4.123 4.320 0.000 0.000 0.217 1389 A C 2.388 180.035 177.584 0.105 0.000 1.181 1389 A CA 2.481 54.570 52.037 0.086 0.000 0.623 1389 A CB -1.070 17.978 19.000 0.080 0.000 0.818 1389 A HN 0.380 nan 8.150 nan 0.000 0.443 1390 T N 0.117 114.746 114.554 0.125 0.000 2.812 1390 T HA 0.074 4.424 4.350 0.000 0.000 0.264 1390 T C 2.230 177.005 174.700 0.125 0.000 1.042 1390 T CA 1.361 63.542 62.100 0.134 0.000 1.140 1390 T CB -0.397 68.554 68.868 0.138 0.000 0.870 1390 T HN 0.577 nan 8.240 nan 0.000 0.445 1391 A N 1.628 124.542 122.820 0.156 0.000 1.902 1391 A HA -0.099 4.221 4.320 0.000 0.000 0.217 1391 A C 2.224 179.936 177.584 0.213 0.000 1.181 1391 A CA 1.796 53.992 52.037 0.265 0.000 0.623 1391 A CB -0.467 18.667 19.000 0.222 0.000 0.818 1391 A HN 0.293 nan 8.150 nan 0.000 0.443 1392 K N -0.071 120.408 120.400 0.133 0.000 2.026 1392 K HA -0.058 4.263 4.320 0.000 0.000 0.208 1392 K C 2.169 178.832 176.600 0.105 0.000 1.048 1392 K CA 1.556 57.903 56.287 0.100 0.000 0.929 1392 K CB -0.370 32.174 32.500 0.074 0.000 0.713 1392 K HN 0.414 nan 8.250 nan 0.000 0.439 1393 R N -0.194 120.368 120.500 0.104 0.000 2.103 1393 R HA -0.087 4.253 4.340 0.000 0.000 0.242 1393 R C 2.003 178.365 176.300 0.103 0.000 1.142 1393 R CA 1.574 57.730 56.100 0.093 0.000 0.960 1393 R CB -0.314 30.042 30.300 0.093 0.000 0.858 1393 R HN 0.223 nan 8.270 nan 0.000 0.439 1394 L N -0.933 120.373 121.223 0.138 0.000 2.552 1394 L HA 0.050 4.390 4.340 0.000 0.000 0.227 1394 L C 1.147 178.139 176.870 0.204 0.000 1.146 1394 L CA 0.716 55.654 54.840 0.163 0.000 0.858 1394 L CB 0.257 42.416 42.059 0.167 0.000 0.969 1394 L HN 0.591 nan 8.230 nan 0.000 0.451 1395 G N -0.536 108.364 108.800 0.167 0.000 2.159 1395 G HA2 -0.209 3.751 3.960 0.000 0.000 0.227 1395 G HA3 -0.209 3.751 3.960 0.000 0.000 0.227 1395 G C 0.315 175.276 174.900 0.101 0.000 0.986 1395 G CA -0.057 45.118 45.100 0.125 0.000 0.651 1395 G HN 0.461 nan 8.290 nan 0.000 0.523 1396 A N -0.358 122.528 122.820 0.109 0.000 2.287 1396 A HA 0.767 5.087 4.320 0.000 0.000 0.273 1396 A C 0.636 178.207 177.584 -0.021 0.000 1.091 1396 A CA 0.126 52.150 52.037 -0.022 0.000 0.817 1396 A CB 1.035 19.926 19.000 -0.180 0.000 1.069 1396 A HN 1.136 nan 8.150 nan 0.000 0.492 1397 V N 1.541 121.421 119.914 -0.058 0.000 2.488 1397 V HA 0.344 4.464 4.120 0.000 0.000 0.277 1397 V C -0.160 175.903 176.094 -0.053 0.000 1.046 1397 V CA -0.117 62.160 62.300 -0.039 0.000 0.986 1397 V CB 0.905 32.702 31.823 -0.043 0.000 0.989 1397 V HN 0.548 nan 8.190 nan 0.000 0.475 1398 V N 6.504 126.401 119.914 -0.028 0.000 2.487 1398 V HA 0.579 4.699 4.120 0.000 0.000 0.298 1398 V C -0.127 175.946 176.094 -0.036 0.000 1.028 1398 V CA -0.584 61.698 62.300 -0.030 0.000 0.860 1398 V CB 1.615 33.440 31.823 0.003 0.000 0.991 1398 V HN 0.784 nan 8.190 nan 0.000 0.427 1399 M N 3.422 122.980 119.600 -0.069 0.000 2.664 1399 M HA 0.922 5.403 4.480 0.000 0.000 0.314 1399 M C -0.196 176.019 176.300 -0.142 0.000 1.200 1399 M CA -0.248 54.991 55.300 -0.102 0.000 0.916 1399 M CB 2.169 34.686 32.600 -0.140 0.000 1.717 1399 M HN 0.875 nan 8.290 nan 0.000 0.470 1400 A N 0.273 122.979 122.820 -0.190 0.000 2.606 1400 A HA 0.892 5.213 4.320 0.000 0.000 0.293 1400 A C -1.149 176.147 177.584 -0.481 0.000 1.082 1400 A CA -0.606 51.289 52.037 -0.237 0.000 0.685 1400 A CB 1.830 20.803 19.000 -0.045 0.000 1.284 1400 A HN 0.662 nan 8.150 nan 0.000 0.408 1401 T N -0.019 114.242 114.554 -0.489 0.000 2.923 1401 T HA 0.646 4.997 4.350 0.000 0.000 0.311 1401 T C -2.192 172.375 174.700 -0.222 0.000 1.183 1401 T CA -0.311 61.408 62.100 -0.636 0.000 1.020 1401 T CB 1.660 70.180 68.868 -0.580 0.000 1.165 1401 T HN 0.856 nan 8.240 nan 0.000 0.482 1402 D N 0.845 121.211 120.400 -0.056 0.000 2.653 1402 D HA 0.231 4.871 4.640 0.000 0.000 0.258 1402 D C 1.083 177.533 176.300 0.250 0.000 1.252 1402 D CA -0.251 53.852 54.000 0.171 0.000 0.777 1402 D CB 2.023 42.977 40.800 0.256 0.000 1.339 1402 D HN 0.434 nan 8.370 nan 0.000 0.422 1403 V N -0.069 119.948 119.914 0.171 0.000 3.052 1403 V HA 0.323 4.443 4.120 0.000 0.000 0.254 1403 V C 0.861 176.994 176.094 0.065 0.000 1.100 1403 V CA 0.478 62.827 62.300 0.081 0.000 1.112 1403 V CB -0.377 31.377 31.823 -0.115 0.000 0.738 1403 V HN 0.264 nan 8.190 nan 0.000 0.469 1404 R N 0.936 121.488 120.500 0.088 0.000 2.267 1404 R HA 0.595 4.936 4.340 0.000 0.000 0.319 1404 R C 1.434 177.758 176.300 0.040 0.000 1.067 1404 R CA 0.430 56.556 56.100 0.044 0.000 0.936 1404 R CB 1.297 31.616 30.300 0.032 0.000 1.006 1404 R HN 0.389 nan 8.270 nan 0.000 0.452 1405 A N 3.428 126.241 122.820 -0.010 0.000 1.972 1405 A HA -0.171 4.149 4.320 0.000 0.000 0.219 1405 A C 2.060 179.542 177.584 -0.170 0.000 1.169 1405 A CA 1.751 53.733 52.037 -0.091 0.000 0.635 1405 A CB -0.375 18.588 19.000 -0.061 0.000 0.810 1405 A HN 0.811 nan 8.150 nan 0.000 0.446 1406 A N -0.212 122.547 122.820 -0.101 0.000 2.225 1406 A HA -0.011 4.309 4.320 0.000 0.000 0.215 1406 A C 2.137 179.651 177.584 -0.116 0.000 1.164 1406 A CA 1.989 53.967 52.037 -0.098 0.000 0.710 1406 A CB -1.070 17.897 19.000 -0.054 0.000 0.780 1406 A HN 0.771 nan 8.150 nan 0.000 0.473 1407 T N -3.033 111.441 114.554 -0.134 0.000 3.081 1407 T HA 0.058 4.408 4.350 0.000 0.000 0.255 1407 T C 1.640 176.189 174.700 -0.252 0.000 1.113 1407 T CA 0.946 62.990 62.100 -0.093 0.000 1.082 1407 T CB -0.094 68.809 68.868 0.059 0.000 0.939 1407 T HN 0.515 nan 8.240 nan 0.000 0.506 1408 K N 1.849 121.900 120.400 -0.581 0.000 2.032 1408 K HA -0.224 4.096 4.320 0.000 0.000 0.209 1408 K C 2.298 178.708 176.600 -0.316 0.000 1.048 1408 K CA 2.080 57.870 56.287 -0.828 0.000 0.927 1408 K CB -0.139 31.848 32.500 -0.856 0.000 0.712 1408 K HN 0.628 nan 8.250 nan 0.000 0.441 1409 E N 0.325 120.401 120.200 -0.207 0.000 2.150 1409 E HA -0.201 4.149 4.350 0.000 0.000 0.193 1409 E C 1.937 178.501 176.600 -0.061 0.000 0.985 1409 E CA 1.231 57.567 56.400 -0.105 0.000 0.814 1409 E CB -0.198 29.453 29.700 -0.083 0.000 0.752 1409 E HN 0.410 nan 8.360 nan 0.000 0.466 1410 Q N 0.573 120.338 119.800 -0.058 0.000 2.046 1410 Q HA -0.087 4.253 4.340 0.000 0.000 0.200 1410 Q C 2.377 178.386 176.000 0.015 0.000 0.975 1410 Q CA 1.684 57.479 55.803 -0.014 0.000 0.836 1410 Q CB -0.050 28.686 28.738 -0.003 0.000 0.896 1410 Q HN 0.233 nan 8.270 nan 0.000 0.428 1411 V N 1.505 121.440 119.914 0.035 0.000 2.261 1411 V HA -0.277 3.844 4.120 0.000 0.000 0.246 1411 V C 1.877 178.008 176.094 0.061 0.000 1.047 1411 V CA 2.161 64.514 62.300 0.088 0.000 1.015 1411 V CB -0.549 31.403 31.823 0.216 0.000 0.642 1411 V HN 0.390 nan 8.190 nan 0.000 0.446 1412 E N 0.016 120.241 120.200 0.041 0.000 2.204 1412 E HA -0.197 4.153 4.350 0.000 0.000 0.195 1412 E C 2.282 178.893 176.600 0.018 0.000 0.990 1412 E CA 1.321 57.738 56.400 0.030 0.000 0.821 1412 E CB -0.276 29.431 29.700 0.011 0.000 0.750 1412 E HN 0.526 nan 8.360 nan 0.000 0.477 1413 S N 0.339 116.045 115.700 0.010 0.000 2.447 1413 S HA -0.084 4.386 4.470 0.000 0.000 0.233 1413 S C 1.449 176.060 174.600 0.019 0.000 1.006 1413 S CA 0.593 58.798 58.200 0.009 0.000 0.957 1413 S CB 0.116 63.317 63.200 0.002 0.000 0.773 1413 S HN 0.069 nan 8.310 nan 0.000 0.507 1414 L N 1.046 122.286 121.223 0.028 0.000 2.628 1414 L HA 0.442 4.782 4.340 0.000 0.000 0.229 1414 L C 1.625 178.516 176.870 0.035 0.000 1.137 1414 L CA 0.711 55.571 54.840 0.034 0.000 0.909 1414 L CB -0.295 41.789 42.059 0.043 0.000 1.137 1414 L HN 0.413 nan 8.230 nan 0.000 0.470 1415 G N -1.186 107.632 108.800 0.031 0.000 2.143 1415 G HA2 -0.204 3.756 3.960 0.000 0.000 0.249 1415 G HA3 -0.204 3.756 3.960 0.000 0.000 0.249 1415 G C 0.638 175.556 174.900 0.031 0.000 0.981 1415 G CA -0.013 45.104 45.100 0.029 0.000 0.665 1415 G HN 0.650 nan 8.290 nan 0.000 0.528 1416 G N -0.416 108.407 108.800 0.038 0.000 2.491 1416 G HA2 0.707 4.667 3.960 0.000 0.000 0.327 1416 G HA3 0.707 4.667 3.960 0.000 0.000 0.327 1416 G C -0.098 174.832 174.900 0.050 0.000 1.189 1416 G CA -0.232 44.890 45.100 0.038 0.000 0.956 1416 G HN 0.820 nan 8.290 nan 0.000 0.491 1417 K N -0.263 120.161 120.400 0.040 0.000 2.244 1417 K HA 0.492 4.812 4.320 0.000 0.000 0.260 1417 K C -1.599 175.048 176.600 0.079 0.000 0.951 1417 K CA -0.792 55.530 56.287 0.059 0.000 0.826 1417 K CB 2.250 34.763 32.500 0.022 0.000 1.108 1417 K HN 0.282 nan 8.250 nan 0.000 0.433 1418 F N 3.687 123.616 119.950 -0.036 0.000 2.420 1418 F HA 0.321 4.848 4.527 0.000 0.000 0.352 1418 F C -0.008 175.764 175.800 -0.047 0.000 1.108 1418 F CA -0.811 57.164 58.000 -0.041 0.000 1.162 1418 F CB 0.663 39.648 39.000 -0.024 0.000 1.118 1418 F HN 0.462 nan 8.300 nan 0.000 0.510 1419 I N 6.164 126.416 120.570 -0.531 0.000 2.308 1419 I HA 0.062 4.233 4.170 0.000 0.000 0.293 1419 I C 0.275 176.169 176.117 -0.373 0.000 1.078 1419 I CA -0.481 60.601 61.300 -0.362 0.000 1.292 1419 I CB 0.414 38.186 38.000 -0.380 0.000 1.423 1419 I HN 0.608 nan 8.210 nan 0.000 0.493 1420 T N 3.495 118.027 114.554 -0.037 0.000 2.871 1420 T HA 0.234 4.584 4.350 0.000 0.000 0.296 1420 T C 0.613 175.348 174.700 0.059 0.000 0.998 1420 T CA -0.270 61.907 62.100 0.128 0.000 1.162 1420 T CB 0.816 69.767 68.868 0.138 0.000 0.947 1420 T HN 0.688 nan 8.240 nan 0.000 0.536 1421 V N -2.951 117.064 119.914 0.169 0.000 6.038 1421 V HA 0.224 4.344 4.120 0.000 0.000 0.997 1421 V C 0.382 176.714 176.094 0.396 0.000 2.756 1421 V CA -0.312 62.112 62.300 0.206 0.000 5.124 1421 V CB -2.307 29.535 31.823 0.031 0.000 0.292 1421 V HN 1.188 nan 8.190 nan 0.000 0.689 1434 G N -0.518 108.284 108.800 0.003 0.000 3.979 1434 G HA2 0.576 4.536 3.960 0.000 0.000 0.113 1434 G HA3 0.576 4.536 3.960 0.000 0.000 0.113 1434 G C 0.581 175.483 174.900 0.002 0.000 1.904 1434 G CA 1.926 47.027 45.100 0.002 0.000 0.982 1434 G HN 2.011 nan 8.290 nan 0.000 0.300 1435 Y N -0.511 119.791 120.300 0.003 0.000 3.122 1435 Y HA 0.787 5.337 4.550 0.000 0.000 0.141 1435 Y C 1.059 176.959 175.900 0.001 0.000 0.952 1435 Y CA 1.221 59.323 58.100 0.004 0.000 1.885 1435 Y CB -0.166 38.301 38.460 0.011 0.000 1.325 1435 Y HN 1.705 nan 8.280 nan 0.000 0.247 1436 A N 1.205 124.027 122.820 0.003 0.000 2.311 1436 A HA 0.666 4.986 4.320 0.000 0.000 0.334 1436 A C -0.316 177.260 177.584 -0.013 0.000 1.139 1436 A CA -0.136 51.897 52.037 -0.007 0.000 0.830 1436 A CB 1.448 20.450 19.000 0.003 0.000 1.234 1436 A HN 0.780 nan 8.150 nan 0.000 0.483 1437 K N 0.793 121.175 120.400 -0.031 0.000 2.166 1437 K HA 0.390 4.710 4.320 0.000 0.000 0.245 1437 K C -0.426 176.153 176.600 -0.034 0.000 0.967 1437 K CA -0.425 55.844 56.287 -0.029 0.000 0.863 1437 K CB 1.086 33.565 32.500 -0.035 0.000 1.107 1437 K HN 0.751 nan 8.250 nan 0.000 0.436 1438 E N 2.245 122.436 120.200 -0.016 0.000 2.452 1438 E HA -0.062 4.288 4.350 0.000 0.000 0.261 1438 E C 0.570 177.153 176.600 -0.027 0.000 0.987 1438 E CA 0.040 56.437 56.400 -0.005 0.000 0.926 1438 E CB 0.568 30.273 29.700 0.008 0.000 0.934 1438 E HN 0.476 nan 8.360 nan 0.000 0.452 1439 M N 1.372 120.959 119.600 -0.020 0.000 2.545 1439 M HA 0.183 4.663 4.480 0.000 0.000 0.264 1439 M C 0.797 177.125 176.300 0.047 0.000 1.155 1439 M CA 0.763 56.027 55.300 -0.059 0.000 1.162 1439 M CB -0.443 32.047 32.600 -0.183 0.000 1.330 1439 M HN 0.676 nan 8.290 nan 0.000 0.479 1440 G N 1.151 110.004 108.800 0.088 0.000 2.650 1440 G HA2 -0.149 3.812 3.960 0.000 0.000 0.686 1440 G HA3 -0.149 3.812 3.960 0.000 0.000 0.686 1440 G C 0.171 175.146 174.900 0.126 0.000 1.205 1440 G CA 0.035 45.190 45.100 0.091 0.000 0.781 1440 G HN 0.326 nan 8.290 nan 0.000 0.648 1441 E N 0.248 120.497 120.200 0.082 0.000 2.130 1441 E HA -0.171 4.179 4.350 0.000 0.000 0.196 1441 E C 2.042 178.681 176.600 0.064 0.000 0.998 1441 E CA 2.624 59.063 56.400 0.064 0.000 0.806 1441 E CB -0.055 29.668 29.700 0.038 0.000 0.738 1441 E HN 0.604 nan 8.360 nan 0.000 0.459 1442 E N -0.421 119.826 120.200 0.079 0.000 2.031 1442 E HA -0.140 4.210 4.350 0.000 0.000 0.193 1442 E C 1.684 178.336 176.600 0.088 0.000 0.994 1442 E CA 1.461 57.904 56.400 0.071 0.000 0.800 1442 E CB -0.502 29.244 29.700 0.078 0.000 0.752 1442 E HN 0.449 nan 8.360 nan 0.000 0.447 1443 F N 1.017 120.974 119.950 0.013 0.000 2.146 1443 F HA -0.140 4.387 4.527 0.000 0.000 0.298 1443 F C 2.318 178.128 175.800 0.017 0.000 1.096 1443 F CA 1.289 59.298 58.000 0.015 0.000 1.275 1443 F CB 0.013 39.024 39.000 0.019 0.000 1.008 1443 F HN -0.120 nan 8.300 nan 0.000 0.480 1444 R N 1.360 121.902 120.500 0.069 0.000 2.113 1444 R HA -0.213 4.127 4.340 0.000 0.000 0.244 1444 R C 2.179 178.401 176.300 -0.131 0.000 1.142 1444 R CA 2.049 58.137 56.100 -0.021 0.000 0.953 1444 R CB -0.613 29.731 30.300 0.074 0.000 0.860 1444 R HN 0.356 nan 8.270 nan 0.000 0.438 1445 K N 0.258 120.605 120.400 -0.088 0.000 2.026 1445 K HA -0.175 4.146 4.320 0.000 0.000 0.208 1445 K C 2.234 178.749 176.600 -0.141 0.000 1.048 1445 K CA 1.622 57.858 56.287 -0.086 0.000 0.929 1445 K CB -0.165 32.307 32.500 -0.046 0.000 0.713 1445 K HN 0.129 nan 8.250 nan 0.000 0.439 1446 K N 1.361 121.640 120.400 -0.202 0.000 2.002 1446 K HA -0.260 4.060 4.320 0.000 0.000 0.209 1446 K C 2.312 178.724 176.600 -0.313 0.000 1.048 1446 K CA 1.724 57.871 56.287 -0.234 0.000 0.930 1446 K CB -0.045 32.306 32.500 -0.249 0.000 0.714 1446 K HN 0.118 nan 8.250 nan 0.000 0.438 1447 Q N 0.020 119.490 119.800 -0.550 0.000 2.077 1447 Q HA -0.224 4.116 4.340 0.000 0.000 0.206 1447 Q C 1.898 177.770 176.000 -0.214 0.000 0.989 1447 Q CA 1.918 57.433 55.803 -0.481 0.000 0.853 1447 Q CB -0.265 28.090 28.738 -0.639 0.000 0.907 1447 Q HN 0.453 nan 8.270 nan 0.000 0.418 1448 A N 0.648 123.375 122.820 -0.155 0.000 1.908 1448 A HA -0.258 4.062 4.320 0.000 0.000 0.218 1448 A C 1.869 179.417 177.584 -0.061 0.000 1.181 1448 A CA 1.921 53.920 52.037 -0.065 0.000 0.627 1448 A CB -0.720 18.248 19.000 -0.054 0.000 0.818 1448 A HN 0.592 nan 8.150 nan 0.000 0.445 1449 E N 0.129 120.280 120.200 -0.083 0.000 2.152 1449 E HA 0.073 4.423 4.350 0.000 0.000 0.192 1449 E C 1.864 178.422 176.600 -0.070 0.000 0.983 1449 E CA 1.378 57.739 56.400 -0.066 0.000 0.818 1449 E CB -0.431 29.231 29.700 -0.063 0.000 0.758 1449 E HN 0.434 nan 8.360 nan 0.000 0.467 1450 A N 0.209 122.971 122.820 -0.097 0.000 1.898 1450 A HA -0.095 4.225 4.320 0.000 0.000 0.216 1450 A C 2.418 179.942 177.584 -0.099 0.000 1.181 1450 A CA 1.629 53.607 52.037 -0.098 0.000 0.620 1450 A CB -0.638 18.286 19.000 -0.126 0.000 0.819 1450 A HN 0.207 nan 8.150 nan 0.000 0.442 1451 V N -0.345 119.509 119.914 -0.100 0.000 2.591 1451 V HA -0.147 3.973 4.120 0.000 0.000 0.249 1451 V C 2.384 178.453 176.094 -0.040 0.000 1.053 1451 V CA 1.445 63.688 62.300 -0.095 0.000 1.068 1451 V CB -0.666 31.116 31.823 -0.068 0.000 0.689 1451 V HN 0.560 nan 8.190 nan 0.000 0.462 1452 L N 0.705 121.914 121.223 -0.023 0.000 2.137 1452 L HA -0.232 4.109 4.340 0.000 0.000 0.213 1452 L C 2.342 179.198 176.870 -0.024 0.000 1.085 1452 L CA 2.079 56.911 54.840 -0.014 0.000 0.760 1452 L CB -0.689 41.356 42.059 -0.023 0.000 0.893 1452 L HN 0.201 nan 8.230 nan 0.000 0.434 1453 K N -0.220 120.157 120.400 -0.038 0.000 2.020 1453 K HA -0.180 4.141 4.320 0.000 0.000 0.212 1453 K C 2.065 178.642 176.600 -0.038 0.000 1.050 1453 K CA 1.892 58.156 56.287 -0.038 0.000 0.929 1453 K CB -0.204 32.269 32.500 -0.046 0.000 0.714 1453 K HN 0.394 nan 8.250 nan 0.000 0.443 1454 E N -0.280 119.890 120.200 -0.051 0.000 2.170 1454 E HA -0.078 4.272 4.350 0.000 0.000 0.191 1454 E C 1.891 178.470 176.600 -0.034 0.000 0.981 1454 E CA 0.396 56.763 56.400 -0.054 0.000 0.830 1454 E CB -0.216 29.430 29.700 -0.090 0.000 0.775 1454 E HN 0.167 nan 8.360 nan 0.000 0.470 1455 L N 1.388 122.605 121.223 -0.010 0.000 2.191 1455 L HA -0.132 4.208 4.340 0.000 0.000 0.212 1455 L C 2.268 179.142 176.870 0.006 0.000 1.103 1455 L CA 1.088 55.944 54.840 0.026 0.000 0.769 1455 L CB -0.376 41.728 42.059 0.075 0.000 0.908 1455 L HN 0.026 nan 8.230 nan 0.000 0.438 1456 V N -4.283 115.627 119.914 -0.006 0.000 3.141 1456 V HA -0.087 4.033 4.120 0.000 0.000 0.265 1456 V C 1.887 177.976 176.094 -0.008 0.000 1.126 1456 V CA 1.376 63.671 62.300 -0.008 0.000 1.141 1456 V CB -0.838 30.977 31.823 -0.013 0.000 0.743 1456 V HN 0.432 nan 8.190 nan 0.000 0.492 1457 K N -0.028 120.363 120.400 -0.014 0.000 2.374 1457 K HA 0.265 4.585 4.320 0.000 0.000 0.202 1457 K C 0.470 177.054 176.600 -0.026 0.000 1.040 1457 K CA 0.009 56.286 56.287 -0.016 0.000 1.085 1457 K CB 0.765 33.252 32.500 -0.022 0.000 0.873 1457 K HN 0.407 nan 8.250 nan 0.000 0.539 1458 T N 1.604 116.140 114.554 -0.031 0.000 2.869 1458 T HA 0.069 4.419 4.350 0.000 0.000 0.295 1458 T C 0.341 174.996 174.700 -0.076 0.000 0.987 1458 T CA -0.111 61.954 62.100 -0.058 0.000 1.109 1458 T CB 1.109 69.956 68.868 -0.034 0.000 0.932 1458 T HN 0.056 nan 8.240 nan 0.000 0.518 1459 D N 1.054 121.355 120.400 -0.165 0.000 2.394 1459 D HA 0.117 4.757 4.640 0.000 0.000 0.226 1459 D C 0.339 176.373 176.300 -0.444 0.000 0.990 1459 D CA 0.613 54.449 54.000 -0.273 0.000 0.902 1459 D CB 0.594 41.163 40.800 -0.385 0.000 1.038 1459 D HN 0.314 nan 8.370 nan 0.000 0.499 1460 I N 1.361 121.687 120.570 -0.405 0.000 2.439 1460 I HA 0.436 4.606 4.170 0.000 0.000 0.285 1460 I C -0.465 175.588 176.117 -0.106 0.000 1.021 1460 I CA -1.007 60.118 61.300 -0.293 0.000 1.091 1460 I CB 1.382 39.190 38.000 -0.319 0.000 1.242 1460 I HN -0.244 nan 8.210 nan 0.000 0.439 1461 A N 8.063 130.864 122.820 -0.032 0.000 2.287 1461 A HA 0.831 5.151 4.320 0.000 0.000 0.317 1461 A C -0.488 177.137 177.584 0.069 0.000 1.220 1461 A CA -0.458 51.626 52.037 0.079 0.000 0.835 1461 A CB 0.802 19.850 19.000 0.081 0.000 1.180 1461 A HN 0.645 nan 8.150 nan 0.000 0.500 1462 I N 3.245 123.898 120.570 0.138 0.000 2.382 1462 I HA 0.311 4.481 4.170 0.000 0.000 0.285 1462 I C 0.188 176.404 176.117 0.165 0.000 1.007 1462 I CA -0.348 61.016 61.300 0.107 0.000 1.142 1462 I CB 2.070 40.126 38.000 0.093 0.000 1.289 1462 I HN 0.720 nan 8.210 nan 0.000 0.453 1463 T N 0.785 115.382 114.554 0.071 0.000 2.794 1463 T HA 0.449 4.799 4.350 0.000 0.000 0.280 1463 T C 0.449 175.186 174.700 0.061 0.000 0.987 1463 T CA -0.473 61.664 62.100 0.061 0.000 0.993 1463 T CB 1.610 70.408 68.868 -0.116 0.000 0.939 1463 T HN 0.721 nan 8.240 nan 0.000 0.449 1464 T N -1.153 113.457 114.554 0.093 0.000 3.262 1464 T HA 0.522 4.872 4.350 0.000 0.000 0.300 1464 T C 0.622 175.365 174.700 0.073 0.000 0.959 1464 T CA -0.082 62.062 62.100 0.074 0.000 0.936 1464 T CB -0.196 68.721 68.868 0.081 0.000 1.169 1464 T HN 1.010 nan 8.240 nan 0.000 0.532 1465 A N 1.975 124.844 122.820 0.081 0.000 2.492 1465 A HA 0.691 5.011 4.320 0.000 0.000 0.254 1465 A C -0.154 177.462 177.584 0.054 0.000 1.091 1465 A CA -0.117 51.967 52.037 0.078 0.000 0.768 1465 A CB -0.005 19.054 19.000 0.098 0.000 1.028 1465 A HN 0.668 nan 8.150 nan 0.000 0.498 1466 L N 2.553 123.806 121.223 0.050 0.000 2.388 1466 L HA 0.580 4.920 4.340 0.000 0.000 0.264 1466 L C -0.803 176.087 176.870 0.034 0.000 0.998 1466 L CA -0.473 54.391 54.840 0.039 0.000 0.817 1466 L CB 2.232 44.313 42.059 0.037 0.000 1.338 1466 L HN 0.598 nan 8.230 nan 0.000 0.414 1467 I N 2.805 123.392 120.570 0.028 0.000 2.439 1467 I HA 0.290 4.460 4.170 0.000 0.000 0.283 1467 I C -2.319 173.809 176.117 0.018 0.000 1.023 1467 I CA -1.873 59.439 61.300 0.021 0.000 1.100 1467 I CB 2.161 40.173 38.000 0.021 0.000 1.238 1467 I HN 0.230 nan 8.210 nan 0.000 0.445 1468 P HA -0.032 nan 4.420 nan 0.000 0.259 1468 P C 0.951 178.258 177.300 0.012 0.000 1.163 1468 P CA 0.971 64.078 63.100 0.012 0.000 0.760 1468 P CB 0.396 32.101 31.700 0.008 0.000 0.762 1469 G N 1.573 110.380 108.800 0.012 0.000 2.168 1469 G HA2 -0.241 3.719 3.960 0.000 0.000 0.263 1469 G HA3 -0.241 3.719 3.960 0.000 0.000 0.263 1469 G C 0.092 174.999 174.900 0.013 0.000 0.977 1469 G CA 0.119 45.226 45.100 0.012 0.000 0.659 1469 G HN 0.542 nan 8.290 nan 0.000 0.533 1470 K N -0.394 120.015 120.400 0.014 0.000 2.512 1470 K HA 0.490 4.810 4.320 0.000 0.000 0.263 1470 K C -2.870 173.739 176.600 0.015 0.000 0.966 1470 K CA -1.949 54.346 56.287 0.014 0.000 0.851 1470 K CB 1.879 34.387 32.500 0.014 0.000 1.395 1470 K HN -0.080 nan 8.250 nan 0.000 0.440 1471 P HA 0.034 nan 4.420 nan 0.000 0.266 1471 P C -0.715 176.595 177.300 0.015 0.000 1.195 1471 P CA 0.008 63.115 63.100 0.013 0.000 0.768 1471 P CB 0.418 32.124 31.700 0.010 0.000 0.838 1472 A N 5.281 128.109 122.820 0.014 0.000 2.520 1472 A HA 0.262 4.582 4.320 0.000 0.000 0.235 1472 A C -1.851 175.744 177.584 0.017 0.000 1.065 1472 A CA -0.692 51.355 52.037 0.017 0.000 0.764 1472 A CB -1.156 17.852 19.000 0.012 0.000 1.002 1472 A HN 0.440 nan 8.150 nan 0.000 0.502 1473 P HA 0.218 nan 4.420 nan 0.000 0.275 1473 P C -0.663 176.646 177.300 0.016 0.000 1.227 1473 P CA -0.168 62.953 63.100 0.035 0.000 0.781 1473 P CB 0.853 32.592 31.700 0.064 0.000 0.906 1474 V N 4.988 124.907 119.914 0.009 0.000 2.405 1474 V HA 0.042 4.162 4.120 0.000 0.000 0.264 1474 V C 1.660 177.739 176.094 -0.025 0.000 1.048 1474 V CA 0.316 62.603 62.300 -0.021 0.000 0.966 1474 V CB 0.161 31.972 31.823 -0.020 0.000 1.015 1474 V HN 0.499 nan 8.190 nan 0.000 0.477 1475 L N 5.265 126.439 121.223 -0.081 0.000 2.470 1475 L HA 0.414 4.754 4.340 0.000 0.000 0.219 1475 L C 0.364 177.108 176.870 -0.210 0.000 1.071 1475 L CA 0.629 55.409 54.840 -0.101 0.000 0.850 1475 L CB 0.382 42.364 42.059 -0.128 0.000 1.040 1475 L HN 0.445 nan 8.230 nan 0.000 0.475 1476 I N 0.632 121.043 120.570 -0.265 0.000 2.448 1476 I HA 0.164 4.334 4.170 0.000 0.000 0.281 1476 I C 0.279 176.315 176.117 -0.134 0.000 1.027 1476 I CA -0.390 60.768 61.300 -0.238 0.000 1.111 1476 I CB 1.758 39.548 38.000 -0.349 0.000 1.236 1476 I HN 0.040 nan 8.210 nan 0.000 0.452 1477 T N 0.150 114.651 114.554 -0.088 0.000 2.754 1477 T HA 0.171 4.521 4.350 0.000 0.000 0.286 1477 T C 0.985 175.651 174.700 -0.057 0.000 0.997 1477 T CA -0.384 61.679 62.100 -0.061 0.000 0.982 1477 T CB 1.720 70.560 68.868 -0.047 0.000 1.027 1477 T HN 0.668 nan 8.240 nan 0.000 0.529 1478 E N -0.335 119.842 120.200 -0.038 0.000 2.150 1478 E HA -0.180 4.170 4.350 0.000 0.000 0.193 1478 E C 2.040 178.585 176.600 -0.092 0.000 0.985 1478 E CA 0.728 57.111 56.400 -0.028 0.000 0.814 1478 E CB -0.007 29.701 29.700 0.013 0.000 0.752 1478 E HN 0.717 nan 8.360 nan 0.000 0.466 1479 E N 0.412 120.562 120.200 -0.082 0.000 2.077 1479 E HA -0.204 4.146 4.350 0.000 0.000 0.193 1479 E C 1.989 178.528 176.600 -0.102 0.000 0.989 1479 E CA 1.220 57.560 56.400 -0.100 0.000 0.800 1479 E CB -0.092 29.569 29.700 -0.066 0.000 0.746 1479 E HN 0.386 nan 8.360 nan 0.000 0.452 1480 M N -0.255 119.299 119.600 -0.077 0.000 2.175 1480 M HA -0.151 4.329 4.480 0.000 0.000 0.264 1480 M C 2.374 178.633 176.300 -0.068 0.000 1.063 1480 M CA 0.916 56.178 55.300 -0.063 0.000 1.119 1480 M CB -0.106 32.464 32.600 -0.051 0.000 1.377 1480 M HN -0.047 nan 8.290 nan 0.000 0.415 1481 V N 0.430 120.299 119.914 -0.076 0.000 2.407 1481 V HA -0.240 3.880 4.120 0.000 0.000 0.248 1481 V C 2.555 178.595 176.094 -0.090 0.000 1.055 1481 V CA 2.254 64.522 62.300 -0.053 0.000 1.049 1481 V CB -1.419 30.404 31.823 0.001 0.000 0.662 1481 V HN 0.654 nan 8.190 nan 0.000 0.455 1482 T N -1.995 112.426 114.554 -0.222 0.000 3.007 1482 T HA -0.166 4.184 4.350 0.000 0.000 0.270 1482 T C 1.451 176.074 174.700 -0.128 0.000 1.107 1482 T CA 1.099 63.020 62.100 -0.299 0.000 1.118 1482 T CB -0.302 68.320 68.868 -0.411 0.000 0.889 1482 T HN 0.495 nan 8.240 nan 0.000 0.506 1483 K N 0.213 120.561 120.400 -0.087 0.000 2.387 1483 K HA 0.356 4.676 4.320 0.000 0.000 0.198 1483 K C 0.335 176.919 176.600 -0.025 0.000 1.022 1483 K CA -0.103 56.154 56.287 -0.050 0.000 1.128 1483 K CB 0.140 32.613 32.500 -0.045 0.000 0.853 1483 K HN 0.446 nan 8.250 nan 0.000 0.523 1484 M N 1.096 120.685 119.600 -0.017 0.000 2.359 1484 M HA 0.219 4.700 4.480 0.000 0.000 0.322 1484 M C -0.059 176.251 176.300 0.016 0.000 1.166 1484 M CA -0.472 54.828 55.300 0.001 0.000 1.067 1484 M CB 1.064 33.667 32.600 0.004 0.000 1.523 1484 M HN -0.156 nan 8.290 nan 0.000 0.467 1485 K N 1.150 121.564 120.400 0.024 0.000 2.295 1485 K HA 0.278 4.598 4.320 0.000 0.000 0.270 1485 K C -2.472 174.160 176.600 0.054 0.000 1.011 1485 K CA -1.487 54.822 56.287 0.037 0.000 0.953 1485 K CB -0.374 32.153 32.500 0.044 0.000 0.956 1485 K HN 0.239 nan 8.250 nan 0.000 0.477 1486 P HA -0.032 nan 4.420 nan 0.000 0.268 1486 P C 0.579 177.926 177.300 0.079 0.000 1.205 1486 P CA 0.691 63.824 63.100 0.055 0.000 0.771 1486 P CB 0.660 32.383 31.700 0.038 0.000 0.858 1487 G N 1.359 110.214 108.800 0.091 0.000 2.217 1487 G HA2 -0.240 3.720 3.960 0.000 0.000 0.246 1487 G HA3 -0.240 3.720 3.960 0.000 0.000 0.246 1487 G C 0.495 175.542 174.900 0.244 0.000 0.990 1487 G CA -0.014 45.171 45.100 0.141 0.000 0.627 1487 G HN 0.577 nan 8.290 nan 0.000 0.522 1488 S N -0.488 115.309 115.700 0.162 0.000 2.573 1488 S HA 0.499 4.969 4.470 0.000 0.000 0.277 1488 S C 0.369 175.005 174.600 0.061 0.000 1.346 1488 S CA 0.333 58.589 58.200 0.093 0.000 1.034 1488 S CB 1.893 65.113 63.200 0.033 0.000 0.879 1488 S HN 0.906 nan 8.310 nan 0.000 0.528 1489 V N 3.209 123.107 119.914 -0.026 0.000 2.656 1489 V HA 0.491 4.611 4.120 0.000 0.000 0.307 1489 V C -0.429 175.643 176.094 -0.037 0.000 1.051 1489 V CA -0.566 61.730 62.300 -0.006 0.000 0.893 1489 V CB 1.616 33.451 31.823 0.021 0.000 0.999 1489 V HN 0.722 nan 8.190 nan 0.000 0.426 1490 I N 5.211 125.767 120.570 -0.024 0.000 2.378 1490 I HA 0.468 4.639 4.170 0.000 0.000 0.291 1490 I C -0.957 175.140 176.117 -0.033 0.000 0.992 1490 I CA -0.574 60.703 61.300 -0.038 0.000 1.154 1490 I CB 1.854 39.821 38.000 -0.056 0.000 1.315 1490 I HN 0.347 nan 8.210 nan 0.000 0.448 1491 I N 5.119 125.677 120.570 -0.021 0.000 2.359 1491 I HA 0.206 4.376 4.170 0.000 0.000 0.284 1491 I C -0.321 175.786 176.117 -0.017 0.000 1.018 1491 I CA -0.323 60.970 61.300 -0.011 0.000 1.173 1491 I CB 0.999 39.011 38.000 0.020 0.000 1.326 1491 I HN 0.488 nan 8.210 nan 0.000 0.462 1492 D N 6.995 127.374 120.400 -0.035 0.000 2.479 1492 D HA 0.236 4.876 4.640 0.000 0.000 0.218 1492 D C 1.058 177.351 176.300 -0.011 0.000 1.131 1492 D CA -0.196 53.782 54.000 -0.036 0.000 0.916 1492 D CB 0.884 41.652 40.800 -0.054 0.000 1.022 1492 D HN 0.422 nan 8.370 nan 0.000 0.515 1493 L N 2.123 123.351 121.223 0.009 0.000 2.376 1493 L HA 0.023 4.363 4.340 0.000 0.000 0.219 1493 L C 1.907 178.790 176.870 0.021 0.000 1.133 1493 L CA 0.496 55.351 54.840 0.025 0.000 0.816 1493 L CB -0.041 42.042 42.059 0.040 0.000 0.933 1493 L HN 0.352 nan 8.230 nan 0.000 0.449 1494 A N -0.812 122.015 122.820 0.011 0.000 2.307 1494 A HA 0.064 4.384 4.320 0.000 0.000 0.218 1494 A C 2.077 179.661 177.584 0.001 0.000 1.228 1494 A CA 0.124 52.168 52.037 0.011 0.000 0.857 1494 A CB -0.203 18.805 19.000 0.012 0.000 0.897 1494 A HN 0.126 nan 8.150 nan 0.000 0.495 1495 V N 0.648 120.559 119.914 -0.005 0.000 2.317 1495 V HA -0.308 3.812 4.120 0.000 0.000 0.251 1495 V C 2.002 178.093 176.094 -0.006 0.000 1.065 1495 V CA 2.809 65.102 62.300 -0.011 0.000 1.049 1495 V CB -0.370 31.444 31.823 -0.016 0.000 0.651 1495 V HN 0.752 nan 8.190 nan 0.000 0.450 1496 E N -0.435 119.765 120.200 -0.001 0.000 2.482 1496 E HA 0.098 4.448 4.350 0.000 0.000 0.196 1496 E C 1.654 178.255 176.600 0.002 0.000 1.047 1496 E CA 0.674 57.073 56.400 -0.002 0.000 0.869 1496 E CB -0.072 29.625 29.700 -0.005 0.000 0.836 1496 E HN 0.678 nan 8.360 nan 0.000 0.520 1497 A N 0.054 122.877 122.820 0.005 0.000 2.430 1497 A HA 0.456 4.776 4.320 0.000 0.000 0.243 1497 A C 1.442 179.029 177.584 0.006 0.000 1.254 1497 A CA 0.521 52.564 52.037 0.010 0.000 0.914 1497 A CB 0.364 19.374 19.000 0.017 0.000 0.998 1497 A HN 0.289 nan 8.150 nan 0.000 0.515 1498 G N -2.004 106.796 108.800 0.000 0.000 2.428 1498 G HA2 0.352 4.312 3.960 0.000 0.000 0.199 1498 G HA3 0.352 4.312 3.960 0.000 0.000 0.199 1498 G C 1.216 176.110 174.900 -0.010 0.000 1.005 1498 G CA 0.431 45.529 45.100 -0.003 0.000 0.671 1498 G HN 2.326 nan 8.290 nan 0.000 0.485 1499 G N -0.476 108.317 108.800 -0.011 0.000 2.716 1499 G HA2 -0.042 3.918 3.960 0.000 0.000 0.686 1499 G HA3 -0.042 3.918 3.960 0.000 0.000 0.686 1499 G C 0.094 174.975 174.900 -0.033 0.000 1.337 1499 G CA 0.422 45.508 45.100 -0.024 0.000 0.829 1499 G HN 0.958 nan 8.290 nan 0.000 0.599 1500 N N -0.946 117.722 118.700 -0.054 0.000 2.373 1500 N HA 0.227 4.968 4.740 0.000 0.000 0.181 1500 N C 0.390 175.827 175.510 -0.121 0.000 1.082 1500 N CA 0.647 53.647 53.050 -0.082 0.000 0.885 1500 N CB 0.662 39.084 38.487 -0.108 0.000 0.977 1500 N HN 0.666 nan 8.380 nan 0.000 0.462 1501 C N 1.578 120.816 119.300 -0.102 0.000 2.364 1501 C HA 0.376 4.836 4.460 0.000 0.000 0.324 1501 C C -1.570 173.384 174.990 -0.060 0.000 1.234 1501 C CA -2.009 56.949 59.018 -0.100 0.000 1.417 1501 C CB 1.181 28.853 27.740 -0.114 0.000 2.101 1501 C HN 0.240 nan 8.230 nan 0.000 0.466 1502 P HA -0.075 nan 4.420 nan 0.000 0.228 1502 P C 1.068 178.354 177.300 -0.022 0.000 1.151 1502 P CA 1.198 64.281 63.100 -0.029 0.000 0.770 1502 P CB 0.169 31.857 31.700 -0.022 0.000 0.786 1503 L N -0.412 120.797 121.223 -0.024 0.000 2.509 1503 L HA 0.051 4.391 4.340 0.000 0.000 0.222 1503 L C 1.315 178.168 176.870 -0.029 0.000 1.123 1503 L CA 0.112 54.941 54.840 -0.017 0.000 0.856 1503 L CB -0.375 41.682 42.059 -0.003 0.000 0.985 1503 L HN 0.011 nan 8.230 nan 0.000 0.456 1504 S N 0.061 115.738 115.700 -0.038 0.000 2.565 1504 S HA 0.295 4.765 4.470 0.000 0.000 0.276 1504 S C -0.222 174.356 174.600 -0.036 0.000 1.326 1504 S CA -0.568 57.605 58.200 -0.044 0.000 1.045 1504 S CB 1.266 64.436 63.200 -0.050 0.000 0.918 1504 S HN 0.167 nan 8.310 nan 0.000 0.505 1505 E N 2.136 122.313 120.200 -0.039 0.000 2.224 1505 E HA 0.368 4.718 4.350 0.000 0.000 0.265 1505 E C -2.870 173.712 176.600 -0.031 0.000 0.878 1505 E CA -2.577 53.805 56.400 -0.030 0.000 0.759 1505 E CB 1.666 31.350 29.700 -0.027 0.000 1.164 1505 E HN 0.403 nan 8.360 nan 0.000 0.414 1506 P HA -0.074 nan 4.420 nan 0.000 0.260 1506 P C 0.654 177.952 177.300 -0.004 0.000 1.172 1506 P CA 1.033 64.126 63.100 -0.011 0.000 0.760 1506 P CB 0.318 32.014 31.700 -0.006 0.000 0.773 1507 G N 1.918 110.725 108.800 0.011 0.000 2.187 1507 G HA2 -0.287 3.673 3.960 0.000 0.000 0.261 1507 G HA3 -0.287 3.673 3.960 0.000 0.000 0.261 1507 G C -0.039 174.876 174.900 0.025 0.000 1.000 1507 G CA 0.271 45.398 45.100 0.045 0.000 0.718 1507 G HN 0.564 nan 8.290 nan 0.000 0.519 1508 K N -0.987 119.392 120.400 -0.035 0.000 2.400 1508 K HA 0.777 5.098 4.320 0.000 0.000 0.246 1508 K C -0.510 176.023 176.600 -0.112 0.000 0.995 1508 K CA -1.102 55.157 56.287 -0.047 0.000 0.840 1508 K CB 2.150 34.632 32.500 -0.030 0.000 1.293 1508 K HN 0.073 nan 8.250 nan 0.000 0.445 1509 I N 2.428 122.950 120.570 -0.080 0.000 2.411 1509 I HA 0.180 4.351 4.170 0.000 0.000 0.284 1509 I C -0.451 175.640 176.117 -0.043 0.000 1.012 1509 I CA -1.023 60.226 61.300 -0.085 0.000 1.119 1509 I CB 1.719 39.690 38.000 -0.049 0.000 1.261 1509 I HN 0.335 nan 8.210 nan 0.000 0.448 1510 V N 5.220 125.106 119.914 -0.046 0.000 2.612 1510 V HA 0.638 4.758 4.120 0.000 0.000 0.301 1510 V C -0.403 175.673 176.094 -0.030 0.000 1.046 1510 V CA -0.453 61.826 62.300 -0.036 0.000 0.946 1510 V CB 1.984 33.783 31.823 -0.040 0.000 1.003 1510 V HN 0.352 nan 8.190 nan 0.000 0.459 1511 V N 4.651 124.545 119.914 -0.034 0.000 2.326 1511 V HA 0.550 4.670 4.120 0.000 0.000 0.281 1511 V C 0.007 176.060 176.094 -0.068 0.000 1.015 1511 V CA -0.458 61.823 62.300 -0.032 0.000 0.823 1511 V CB 0.778 32.589 31.823 -0.021 0.000 1.009 1511 V HN 0.999 nan 8.190 nan 0.000 0.436 1512 K N 3.236 123.590 120.400 -0.077 0.000 2.443 1512 K HA 0.561 4.881 4.320 0.000 0.000 0.252 1512 K C -0.188 176.331 176.600 -0.136 0.000 0.933 1512 K CA -0.901 55.260 56.287 -0.209 0.000 0.792 1512 K CB 1.488 33.839 32.500 -0.248 0.000 1.185 1512 K HN 0.733 nan 8.250 nan 0.000 0.425 1513 H N 0.478 119.544 119.070 -0.006 0.000 2.958 1513 H HA -0.188 4.368 4.556 0.000 0.000 0.274 1513 H C 0.844 176.172 175.328 0.001 0.000 1.184 1513 H CA 1.294 57.339 56.048 -0.004 0.000 1.143 1513 H CB -1.389 28.368 29.762 -0.008 0.000 1.297 1513 H HN 1.210 nan 8.280 nan 0.000 0.356 1514 G N -1.290 107.543 108.800 0.055 0.000 2.179 1514 G HA2 -0.286 3.674 3.960 0.000 0.000 0.260 1514 G HA3 -0.286 3.674 3.960 0.000 0.000 0.260 1514 G C 0.227 175.160 174.900 0.054 0.000 0.977 1514 G CA 0.303 45.431 45.100 0.047 0.000 0.641 1514 G HN 0.497 nan 8.290 nan 0.000 0.533 1515 V N 0.846 120.796 119.914 0.059 0.000 2.483 1515 V HA 0.478 4.598 4.120 0.000 0.000 0.295 1515 V C 0.479 176.592 176.094 0.031 0.000 1.035 1515 V CA -0.877 61.455 62.300 0.052 0.000 0.896 1515 V CB 1.819 33.676 31.823 0.056 0.000 0.986 1515 V HN 0.248 nan 8.190 nan 0.000 0.447 1516 K N 4.910 125.331 120.400 0.034 0.000 2.276 1516 K HA 0.496 4.816 4.320 0.000 0.000 0.285 1516 K C -0.882 175.718 176.600 0.000 0.000 1.062 1516 K CA -0.383 55.917 56.287 0.021 0.000 0.918 1516 K CB 0.914 33.440 32.500 0.043 0.000 1.055 1516 K HN 0.463 nan 8.250 nan 0.000 0.477 1517 I N 4.770 125.329 120.570 -0.019 0.000 2.337 1517 I HA 0.155 4.326 4.170 0.000 0.000 0.285 1517 I C -0.040 176.037 176.117 -0.067 0.000 1.041 1517 I CA -0.747 60.530 61.300 -0.038 0.000 1.199 1517 I CB 0.944 38.922 38.000 -0.037 0.000 1.370 1517 I HN 0.203 nan 8.210 nan 0.000 0.470 1518 V N 5.165 125.029 119.914 -0.083 0.000 2.465 1518 V HA 0.624 4.745 4.120 0.000 0.000 0.279 1518 V C 0.915 176.908 176.094 -0.168 0.000 1.045 1518 V CA -0.298 61.903 62.300 -0.165 0.000 0.938 1518 V CB 1.474 33.201 31.823 -0.159 0.000 0.986 1518 V HN 0.944 nan 8.190 nan 0.000 0.467 1519 G N 2.589 111.252 108.800 -0.227 0.000 4.729 1519 G HA2 0.319 4.279 3.960 0.000 0.000 0.258 1519 G HA3 0.319 4.279 3.960 0.000 0.000 0.258 1519 G C -0.314 174.527 174.900 -0.099 0.000 1.188 1519 G CA -0.481 44.543 45.100 -0.127 0.000 0.866 1519 G HN 0.812 nan 8.290 nan 0.000 0.562 1520 H N 1.101 120.166 119.070 -0.009 0.000 2.871 1520 H HA 0.288 4.844 4.556 0.000 0.000 0.355 1520 H C 1.201 176.520 175.328 -0.016 0.000 1.092 1520 H CA 1.068 57.108 56.048 -0.014 0.000 1.420 1520 H CB 1.031 30.781 29.762 -0.020 0.000 1.400 1520 H HN 0.356 nan 8.280 nan 0.000 0.604 1521 T N 0.372 115.000 114.554 0.124 0.000 2.922 1521 T HA 0.098 4.448 4.350 0.000 0.000 0.285 1521 T C 0.591 175.307 174.700 0.026 0.000 1.005 1521 T CA -1.084 61.045 62.100 0.049 0.000 1.061 1521 T CB 0.917 69.799 68.868 0.023 0.000 1.007 1521 T HN 0.786 nan 8.240 nan 0.000 0.502 1522 N N 1.025 119.726 118.700 0.001 0.000 2.667 1522 N HA -0.158 4.582 4.740 0.000 0.000 0.263 1522 N C 0.802 176.305 175.510 -0.010 0.000 1.038 1522 N CA 0.578 53.617 53.050 -0.019 0.000 0.749 1522 N CB -1.280 37.184 38.487 -0.040 0.000 0.892 1522 N HN 0.589 nan 8.380 nan 0.000 0.546 1523 V N 1.010 120.932 119.914 0.012 0.000 2.469 1523 V HA -0.174 3.947 4.120 0.000 0.000 0.251 1523 V C -0.518 175.582 176.094 0.011 0.000 1.064 1523 V CA 2.227 64.537 62.300 0.017 0.000 1.066 1523 V CB -0.791 31.058 31.823 0.043 0.000 0.667 1523 V HN 0.427 nan 8.190 nan 0.000 0.461 1524 P HA -0.122 nan 4.420 nan 0.000 0.217 1524 P C 1.988 179.288 177.300 -0.001 0.000 1.150 1524 P CA 1.888 65.002 63.100 0.024 0.000 0.832 1524 P CB -0.169 31.551 31.700 0.034 0.000 0.787 1525 S N -0.700 114.984 115.700 -0.027 0.000 2.507 1525 S HA -0.069 4.401 4.470 0.000 0.000 0.235 1525 S C 1.731 176.305 174.600 -0.044 0.000 0.988 1525 S CA 0.520 58.694 58.200 -0.043 0.000 0.944 1525 S CB -0.860 62.304 63.200 -0.060 0.000 0.762 1525 S HN 0.139 nan 8.310 nan 0.000 0.526 1526 R N 0.562 121.035 120.500 -0.045 0.000 2.316 1526 R HA 0.153 4.493 4.340 0.000 0.000 0.202 1526 R C 0.015 176.301 176.300 -0.024 0.000 1.029 1526 R CA 0.627 56.688 56.100 -0.066 0.000 1.018 1526 R CB -0.029 30.208 30.300 -0.105 0.000 0.888 1526 R HN 0.378 nan 8.270 nan 0.000 0.471 1527 V N -0.448 119.469 119.914 0.005 0.000 2.841 1527 V HA 0.227 4.347 4.120 0.000 0.000 0.363 1527 V C 1.066 177.164 176.094 0.007 0.000 1.330 1527 V CA 0.004 62.322 62.300 0.029 0.000 1.207 1527 V CB 0.727 32.596 31.823 0.076 0.000 1.318 1527 V HN 0.173 nan 8.190 nan 0.000 0.603 1528 A N 1.196 124.010 122.820 -0.011 0.000 1.948 1528 A HA -0.131 4.189 4.320 0.000 0.000 0.220 1528 A C 2.263 179.841 177.584 -0.011 0.000 1.177 1528 A CA 2.286 54.312 52.037 -0.019 0.000 0.636 1528 A CB -0.191 18.790 19.000 -0.033 0.000 0.815 1528 A HN 0.859 nan 8.150 nan 0.000 0.449 1529 A N -1.392 121.423 122.820 -0.009 0.000 2.168 1529 A HA -0.011 4.309 4.320 0.000 0.000 0.215 1529 A C 1.601 179.183 177.584 -0.004 0.000 1.152 1529 A CA 1.714 53.747 52.037 -0.006 0.000 0.716 1529 A CB -0.242 18.753 19.000 -0.009 0.000 0.794 1529 A HN 0.436 nan 8.150 nan 0.000 0.465 1530 D N -1.407 118.989 120.400 -0.006 0.000 2.431 1530 D HA 0.268 4.909 4.640 0.000 0.000 0.227 1530 D C 2.157 178.464 176.300 0.011 0.000 1.030 1530 D CA 0.952 54.945 54.000 -0.011 0.000 0.897 1530 D CB -0.049 40.725 40.800 -0.042 0.000 1.058 1530 D HN 0.266 nan 8.370 nan 0.000 0.500 1531 A N 0.350 123.183 122.820 0.021 0.000 1.902 1531 A HA -0.117 4.203 4.320 0.000 0.000 0.217 1531 A C 2.281 179.915 177.584 0.083 0.000 1.181 1531 A CA 1.764 53.832 52.037 0.052 0.000 0.623 1531 A CB -0.478 18.545 19.000 0.038 0.000 0.818 1531 A HN 0.147 nan 8.150 nan 0.000 0.443 1532 S N 0.343 116.072 115.700 0.047 0.000 2.356 1532 S HA -0.071 4.399 4.470 0.000 0.000 0.223 1532 S C -0.258 174.406 174.600 0.107 0.000 1.032 1532 S CA 1.666 59.903 58.200 0.062 0.000 1.005 1532 S CB -1.193 62.019 63.200 0.020 0.000 0.867 1532 S HN 0.440 nan 8.310 nan 0.000 0.449 1533 P HA -0.060 nan 4.420 nan 0.000 0.215 1533 P C 1.266 178.608 177.300 0.070 0.000 1.153 1533 P CA 0.974 64.113 63.100 0.065 0.000 0.853 1533 P CB -0.089 31.632 31.700 0.035 0.000 0.788 1534 L N -3.135 118.128 121.223 0.067 0.000 2.109 1534 L HA -0.086 4.254 4.340 0.000 0.000 0.207 1534 L C 2.351 179.247 176.870 0.044 0.000 1.086 1534 L CA 0.996 55.861 54.840 0.042 0.000 0.760 1534 L CB -0.762 41.315 42.059 0.030 0.000 0.910 1534 L HN -0.081 nan 8.230 nan 0.000 0.437 1535 F N 0.903 120.828 119.950 -0.041 0.000 2.134 1535 F HA -0.223 4.304 4.527 0.000 0.000 0.299 1535 F C 2.482 178.213 175.800 -0.115 0.000 1.097 1535 F CA 1.316 59.273 58.000 -0.071 0.000 1.264 1535 F CB -0.057 38.913 39.000 -0.049 0.000 1.001 1535 F HN 0.001 nan 8.300 nan 0.000 0.479 1536 A N 0.017 122.949 122.820 0.187 0.000 1.933 1536 A HA -0.162 4.158 4.320 0.000 0.000 0.218 1536 A C 2.234 179.814 177.584 -0.007 0.000 1.175 1536 A CA 1.387 53.499 52.037 0.126 0.000 0.628 1536 A CB -0.499 18.633 19.000 0.220 0.000 0.814 1536 A HN 0.206 nan 8.150 nan 0.000 0.444 1537 K N 0.247 120.644 120.400 -0.005 0.000 2.057 1537 K HA -0.118 4.202 4.320 0.000 0.000 0.207 1537 K C 1.654 178.186 176.600 -0.113 0.000 1.049 1537 K CA 1.687 57.957 56.287 -0.029 0.000 0.931 1537 K CB -0.767 31.723 32.500 -0.017 0.000 0.714 1537 K HN 0.678 nan 8.250 nan 0.000 0.440 1538 N N 0.678 119.254 118.700 -0.207 0.000 2.104 1538 N HA -0.120 4.620 4.740 0.000 0.000 0.190 1538 N C 1.916 177.232 175.510 -0.323 0.000 1.024 1538 N CA 0.974 53.855 53.050 -0.282 0.000 0.853 1538 N CB -0.136 38.080 38.487 -0.452 0.000 1.008 1538 N HN 0.043 nan 8.380 nan 0.000 0.424 1539 L N 0.143 121.046 121.223 -0.533 0.000 2.056 1539 L HA -0.121 4.220 4.340 0.000 0.000 0.207 1539 L C 2.266 178.889 176.870 -0.410 0.000 1.078 1539 L CA 0.575 54.939 54.840 -0.794 0.000 0.749 1539 L CB -0.413 40.541 42.059 -1.842 0.000 0.901 1539 L HN 0.243 nan 8.230 nan 0.000 0.433 1540 L N 0.290 121.415 121.223 -0.164 0.000 2.046 1540 L HA -0.164 4.176 4.340 0.000 0.000 0.208 1540 L C 2.282 179.193 176.870 0.067 0.000 1.077 1540 L CA 1.743 56.699 54.840 0.192 0.000 0.747 1540 L CB -0.706 41.469 42.059 0.193 0.000 0.896 1540 L HN 0.226 nan 8.230 nan 0.000 0.432 1541 N N -0.700 118.004 118.700 0.007 0.000 2.166 1541 N HA -0.235 4.505 4.740 0.000 0.000 0.186 1541 N C 1.833 177.354 175.510 0.019 0.000 1.019 1541 N CA 1.794 54.842 53.050 -0.004 0.000 0.856 1541 N CB -0.545 37.931 38.487 -0.019 0.000 0.993 1541 N HN 0.530 nan 8.380 nan 0.000 0.426 1542 F N 1.139 121.027 119.950 -0.104 0.000 2.206 1542 F HA 0.032 4.559 4.527 0.000 0.000 0.298 1542 F C 2.136 177.949 175.800 0.022 0.000 1.090 1542 F CA 0.572 58.531 58.000 -0.069 0.000 1.323 1542 F CB -0.009 38.917 39.000 -0.124 0.000 1.028 1542 F HN -0.038 nan 8.300 nan 0.000 0.492 1543 L N -0.616 120.588 121.223 -0.031 0.000 2.162 1543 L HA -0.077 4.263 4.340 0.000 0.000 0.205 1543 L C 2.190 179.024 176.870 -0.061 0.000 1.086 1543 L CA 1.512 56.343 54.840 -0.017 0.000 0.778 1543 L CB -0.796 41.414 42.059 0.252 0.000 0.928 1543 L HN 0.074 nan 8.230 nan 0.000 0.446 1544 T N 1.169 115.683 114.554 -0.066 0.000 2.624 1544 T HA -0.153 4.197 4.350 0.000 0.000 0.268 1544 T C -0.616 173.989 174.700 -0.159 0.000 1.041 1544 T CA 2.189 64.241 62.100 -0.081 0.000 1.159 1544 T CB -1.299 67.531 68.868 -0.062 0.000 0.863 1544 T HN 0.347 nan 8.240 nan 0.000 0.434 1545 P HA -0.059 nan 4.420 nan 0.000 0.226 1545 P C 0.761 177.753 177.300 -0.512 0.000 1.146 1545 P CA 0.987 63.825 63.100 -0.436 0.000 0.773 1545 P CB -0.057 31.299 31.700 -0.573 0.000 0.772 1546 H N -2.590 116.409 119.070 -0.118 0.000 2.652 1546 H HA 0.217 4.773 4.556 0.000 0.000 0.274 1546 H C 0.238 175.550 175.328 -0.026 0.000 1.021 1546 H CA -0.135 55.852 56.048 -0.102 0.000 1.187 1546 H CB 0.258 29.903 29.762 -0.194 0.000 1.505 1546 H HN -0.038 nan 8.280 nan 0.000 0.530 1547 V N 3.034 122.995 119.914 0.079 0.000 2.455 1547 V HA -0.031 4.089 4.120 0.000 0.000 0.273 1547 V C 0.706 176.836 176.094 0.059 0.000 1.045 1547 V CA -0.364 62.005 62.300 0.116 0.000 0.976 1547 V CB 1.431 33.364 31.823 0.182 0.000 0.993 1547 V HN 0.270 nan 8.190 nan 0.000 0.475 1548 D N 6.294 126.720 120.400 0.043 0.000 2.365 1548 D HA 0.091 4.731 4.640 0.000 0.000 0.237 1548 D C -0.147 176.159 176.300 0.011 0.000 1.190 1548 D CA -0.645 53.367 54.000 0.020 0.000 0.867 1548 D CB 0.774 41.582 40.800 0.013 0.000 1.050 1548 D HN 0.390 nan 8.370 nan 0.000 0.491 1549 K N 4.042 124.450 120.400 0.012 0.000 2.127 1549 K HA 0.151 4.471 4.320 0.000 0.000 0.261 1549 K C -0.126 176.473 176.600 -0.002 0.000 1.129 1549 K CA -0.225 56.067 56.287 0.007 0.000 0.993 1549 K CB 1.022 33.529 32.500 0.013 0.000 1.410 1549 K HN 0.484 nan 8.250 nan 0.000 0.380 1550 D N -0.381 120.013 120.400 -0.011 0.000 2.092 1550 D HA -0.114 4.526 4.640 0.000 0.000 0.775 1550 D C 0.585 176.872 176.300 -0.021 0.000 0.464 1550 D CA 0.784 54.776 54.000 -0.013 0.000 1.291 1550 D CB 0.438 41.233 40.800 -0.008 0.000 1.165 1550 D HN 0.502 nan 8.370 nan 0.000 0.355 1551 T N -1.537 113.001 114.554 -0.027 0.000 3.016 1551 T HA 0.234 4.584 4.350 0.000 0.000 0.271 1551 T C 0.728 175.389 174.700 -0.065 0.000 0.968 1551 T CA 0.204 62.281 62.100 -0.038 0.000 0.891 1551 T CB 0.937 69.789 68.868 -0.028 0.000 1.149 1551 T HN -0.015 nan 8.240 nan 0.000 0.524 1552 K N 2.159 122.517 120.400 -0.070 0.000 3.016 1552 K HA -0.160 4.160 4.320 0.000 0.000 0.262 1552 K C -0.095 176.398 176.600 -0.179 0.000 1.043 1552 K CA 1.002 57.210 56.287 -0.131 0.000 0.761 1552 K CB -2.264 30.136 32.500 -0.168 0.000 1.230 1552 K HN 0.827 nan 8.250 nan 0.000 0.485 1553 T N -2.493 112.006 114.554 -0.093 0.000 2.932 1553 T HA 0.601 4.951 4.350 0.000 0.000 0.289 1553 T C 0.090 174.786 174.700 -0.006 0.000 1.039 1553 T CA -1.180 60.878 62.100 -0.069 0.000 1.024 1553 T CB 1.750 70.594 68.868 -0.039 0.000 1.090 1553 T HN 0.153 nan 8.240 nan 0.000 0.496 1554 L N 2.787 124.025 121.223 0.025 0.000 2.295 1554 L HA 0.442 4.782 4.340 0.000 0.000 0.288 1554 L C 0.044 176.937 176.870 0.040 0.000 1.079 1554 L CA -0.843 54.038 54.840 0.069 0.000 0.830 1554 L CB 1.175 43.294 42.059 0.098 0.000 1.200 1554 L HN 0.663 nan 8.230 nan 0.000 0.438 1555 V N 6.285 126.225 119.914 0.043 0.000 2.277 1555 V HA 0.296 4.417 4.120 0.000 0.000 0.269 1555 V C 0.292 176.381 176.094 -0.008 0.000 1.036 1555 V CA -0.669 61.646 62.300 0.025 0.000 0.821 1555 V CB 1.120 32.963 31.823 0.033 0.000 1.052 1555 V HN 0.609 nan 8.190 nan 0.000 0.462 1556 M N 7.756 127.301 119.600 -0.092 0.000 2.557 1556 M HA 0.317 4.798 4.480 0.000 0.000 0.328 1556 M C 0.305 176.533 176.300 -0.120 0.000 1.423 1556 M CA -0.335 54.794 55.300 -0.286 0.000 1.418 1556 M CB 0.153 32.627 32.600 -0.210 0.000 1.381 1556 M HN 0.606 nan 8.290 nan 0.000 0.467 1557 K N 3.765 124.131 120.400 -0.057 0.000 2.437 1557 K HA 0.000 4.321 4.320 0.000 0.000 0.277 1557 K C 0.684 177.294 176.600 0.017 0.000 1.073 1557 K CA 0.185 56.482 56.287 0.016 0.000 1.105 1557 K CB 0.335 32.874 32.500 0.065 0.000 0.881 1557 K HN 0.690 nan 8.250 nan 0.000 0.475 1558 L N 1.700 122.941 121.223 0.030 0.000 2.362 1558 L HA -0.178 4.162 4.340 0.000 0.000 0.219 1558 L C 2.036 178.934 176.870 0.047 0.000 1.134 1558 L CA 1.075 55.942 54.840 0.045 0.000 0.807 1558 L CB -0.416 41.666 42.059 0.038 0.000 0.927 1558 L HN 0.657 nan 8.230 nan 0.000 0.447 1559 E N -0.595 119.630 120.200 0.042 0.000 2.502 1559 E HA -0.066 4.284 4.350 0.000 0.000 0.194 1559 E C 0.235 176.866 176.600 0.052 0.000 1.062 1559 E CA 0.099 56.523 56.400 0.040 0.000 0.867 1559 E CB -0.397 29.322 29.700 0.032 0.000 0.888 1559 E HN 0.270 nan 8.360 nan 0.000 0.510 1560 D N 2.066 122.506 120.400 0.068 0.000 2.295 1560 D HA -0.014 4.626 4.640 0.000 0.000 0.248 1560 D C 0.883 177.245 176.300 0.103 0.000 1.154 1560 D CA -0.144 53.911 54.000 0.092 0.000 0.857 1560 D CB 1.388 42.270 40.800 0.136 0.000 1.117 1560 D HN 0.103 nan 8.370 nan 0.000 0.468 1561 E N 1.994 122.249 120.200 0.093 0.000 2.118 1561 E HA -0.235 4.115 4.350 0.000 0.000 0.195 1561 E C 1.435 178.115 176.600 0.133 0.000 0.992 1561 E CA 1.790 58.247 56.400 0.094 0.000 0.804 1561 E CB 0.163 29.904 29.700 0.069 0.000 0.741 1561 E HN 0.623 nan 8.360 nan 0.000 0.458 1562 T N -2.295 112.365 114.554 0.178 0.000 2.962 1562 T HA -0.046 4.304 4.350 0.000 0.000 0.270 1562 T C 1.839 176.766 174.700 0.377 0.000 1.088 1562 T CA 1.027 63.292 62.100 0.275 0.000 1.127 1562 T CB -0.088 69.017 68.868 0.395 0.000 0.883 1562 T HN 0.037 nan 8.240 nan 0.000 0.493 1563 V N 2.460 122.540 119.914 0.277 0.000 2.302 1563 V HA -0.074 4.046 4.120 0.000 0.000 0.243 1563 V C 3.165 179.431 176.094 0.286 0.000 1.036 1563 V CA 1.828 64.297 62.300 0.281 0.000 1.020 1563 V CB -0.644 31.229 31.823 0.083 0.000 0.657 1563 V HN 0.747 nan 8.190 nan 0.000 0.453 1564 S N 0.779 116.586 115.700 0.179 0.000 2.428 1564 S HA -0.033 4.437 4.470 0.000 0.000 0.230 1564 S C 1.977 176.668 174.600 0.151 0.000 1.014 1564 S CA 1.181 59.463 58.200 0.136 0.000 0.957 1564 S CB -0.488 62.762 63.200 0.083 0.000 0.784 1564 S HN 0.530 nan 8.310 nan 0.000 0.499 1565 G N 1.613 110.505 108.800 0.154 0.000 2.464 1565 G HA2 -0.023 3.937 3.960 0.000 0.000 0.217 1565 G HA3 -0.023 3.937 3.960 0.000 0.000 0.217 1565 G C 1.592 176.572 174.900 0.133 0.000 1.138 1565 G CA 1.219 46.405 45.100 0.144 0.000 0.793 1565 G HN 0.701 nan 8.290 nan 0.000 0.539 1566 T N -3.301 111.339 114.554 0.143 0.000 3.040 1566 T HA 0.081 4.431 4.350 0.000 0.000 0.252 1566 T C 1.313 176.056 174.700 0.072 0.000 1.064 1566 T CA 0.034 62.181 62.100 0.079 0.000 1.110 1566 T CB -0.503 68.397 68.868 0.053 0.000 0.921 1566 T HN 0.078 nan 8.240 nan 0.000 0.480 1567 C N 3.998 123.366 119.300 0.114 0.000 2.638 1567 C HA 0.446 4.906 4.460 0.000 0.000 0.410 1567 C C 2.066 177.012 174.990 -0.074 0.000 1.404 1567 C CA -0.126 58.785 59.018 -0.179 0.000 1.651 1567 C CB -0.879 26.749 27.740 -0.186 0.000 2.495 1567 C HN 0.523 nan 8.230 nan 0.000 0.606 1568 V N 3.285 123.114 119.914 -0.142 0.000 3.263 1568 V HA 0.340 4.461 4.120 0.000 0.000 0.248 1568 V C 0.809 176.876 176.094 -0.044 0.000 1.145 1568 V CA 0.903 63.171 62.300 -0.053 0.000 1.107 1568 V CB -0.401 31.363 31.823 -0.099 0.000 0.797 1568 V HN 0.831 nan 8.190 nan 0.000 0.467 1569 T N 0.692 115.182 114.554 -0.106 0.000 3.041 1569 T HA 0.565 4.915 4.350 0.000 0.000 0.321 1569 T C -1.334 173.302 174.700 -0.107 0.000 1.184 1569 T CA -0.546 61.509 62.100 -0.074 0.000 1.050 1569 T CB 2.063 70.903 68.868 -0.047 0.000 1.159 1569 T HN 0.536 nan 8.240 nan 0.000 0.469 1570 R N 3.683 124.143 120.500 -0.066 0.000 2.514 1570 R HA 0.526 4.866 4.340 0.000 0.000 0.296 1570 R C -0.741 175.548 176.300 -0.019 0.000 1.012 1570 R CA -0.177 55.892 56.100 -0.053 0.000 0.897 1570 R CB 0.824 31.096 30.300 -0.046 0.000 1.184 1570 R HN 0.980 nan 8.270 nan 0.000 0.440 1571 D N 1.494 121.890 120.400 -0.006 0.000 3.841 1571 D HA -0.221 4.419 4.640 0.000 0.000 0.276 1571 D C 0.599 176.898 176.300 -0.000 0.000 2.088 1571 D CA 1.888 55.889 54.000 0.003 0.000 1.152 1571 D CB -0.488 40.316 40.800 0.006 0.000 0.944 1571 D HN 0.733 nan 8.370 nan 0.000 1.144 1572 G N -0.470 108.332 108.800 0.002 0.000 3.262 1572 G HA2 0.401 4.362 3.960 0.000 0.000 0.222 1572 G HA3 0.401 4.362 3.960 0.000 0.000 0.222 1572 G C -0.181 174.719 174.900 -0.001 0.000 1.269 1572 G CA 0.864 45.965 45.100 0.002 0.000 1.032 1572 G HN 0.679 nan 8.290 nan 0.000 0.502 1573 A N 0.067 122.885 122.820 -0.004 0.000 2.437 1573 A HA 0.640 4.961 4.320 0.000 0.000 0.293 1573 A C -0.181 177.398 177.584 -0.008 0.000 1.038 1573 A CA -0.696 51.338 52.037 -0.004 0.000 0.708 1573 A CB 1.178 20.176 19.000 -0.003 0.000 1.251 1573 A HN 0.161 nan 8.150 nan 0.000 0.409 1574 I N 2.600 123.168 120.570 -0.004 0.000 2.813 1574 I HA 0.126 4.296 4.170 0.000 0.000 0.287 1574 I C 1.474 177.591 176.117 0.000 0.000 1.196 1574 I CA 0.428 61.728 61.300 -0.001 0.000 1.421 1574 I CB 1.244 39.248 38.000 0.008 0.000 1.365 1574 I HN 0.671 nan 8.210 nan 0.000 0.591 1575 V N 1.710 121.628 119.914 0.007 0.000 3.029 1575 V HA 0.120 4.241 4.120 0.000 0.000 0.230 1575 V C 0.879 176.984 176.094 0.018 0.000 1.254 1575 V CA -0.020 62.282 62.300 0.005 0.000 1.276 1575 V CB -0.654 31.164 31.823 -0.007 0.000 1.080 1575 V HN 0.757 nan 8.190 nan 0.000 0.495 1576 H N 4.821 123.870 119.070 -0.036 0.000 3.094 1576 H HA 0.323 4.879 4.556 0.000 0.000 0.320 1576 H C -1.802 173.516 175.328 -0.018 0.000 1.000 1576 H CA -0.508 55.524 56.048 -0.026 0.000 1.413 1576 H CB 0.403 30.146 29.762 -0.032 0.000 1.405 1576 H HN 0.485 nan 8.280 nan 0.000 0.586 1577 P HA 0.000 nan 4.420 nan 0.000 0.216 1577 P CA 0.000 63.002 63.100 -0.164 0.000 0.800 1577 P CB 0.000 31.574 31.700 -0.210 0.000 0.726