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 2gox_1_A DATA FIRST_RESID 991 DATA SEQUENCE GSRSTDAERL KHLIVTPSGA GEQNMIGMTP TVIAVHYLDE TEQWEKFGLE DATA SEQUENCE KRQGALELIK KGYTQQLAFR QPSSAFAAFV KRAPSTWLTA YVVKVFSLAV DATA SEQUENCE NLIAIDSQVL cGAVKWLILE KQKPDGVFQE DAPVIHQEMI GGLRNNNEKD DATA SEQUENCE MALTAFVLIS LQEAKDIcEE QVNSLPGSIT KAGDFLEANY MNLQRSYTVA DATA SEQUENCE IAGYALAQMG RLKGPLLNKF LTTAKDKNRW EDPGKQLYNV EATSYALLAL DATA SEQUENCE LQLKDFDFVP PVVRWLNEQR YYGGGYGSTQ ATFMVFQALA QYQKDAP 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 991 G HA2 0.000 nan 3.960 nan 0.000 0.244 991 G HA3 0.000 3.965 3.960 0.008 0.000 0.244 991 G C 0.000 174.998 174.900 0.164 0.000 0.946 991 G CA 0.000 45.124 45.100 0.040 0.000 0.502 992 S N -0.598 115.261 115.700 0.265 0.000 2.638 992 S HA 0.713 5.187 4.470 0.008 0.000 0.302 992 S C 0.126 174.821 174.600 0.158 0.000 1.096 992 S CA -0.910 57.406 58.200 0.193 0.000 0.953 992 S CB 1.690 65.004 63.200 0.190 0.000 1.107 992 S HN 0.705 nan 8.310 nan 0.000 0.503 993 R N 1.368 121.932 120.500 0.106 0.000 2.566 993 R HA 0.093 4.438 4.340 0.008 0.000 0.273 993 R C 0.507 176.886 176.300 0.132 0.000 0.981 993 R CA 0.272 56.425 56.100 0.088 0.000 1.091 993 R CB 0.153 30.490 30.300 0.062 0.000 0.924 993 R HN 0.559 nan 8.270 nan 0.000 0.411 994 S N 1.477 117.243 115.700 0.111 0.000 2.560 994 S HA -0.004 4.471 4.470 0.008 0.000 0.284 994 S C -0.202 174.514 174.600 0.195 0.000 1.327 994 S CA -0.362 57.933 58.200 0.158 0.000 1.055 994 S CB 0.424 63.638 63.200 0.024 0.000 0.868 994 S HN 0.540 nan 8.310 nan 0.000 0.506 995 T N 4.286 119.048 114.554 0.346 0.000 2.867 995 T HA 0.016 4.370 4.350 0.008 0.000 0.297 995 T C -0.029 174.753 174.700 0.136 0.000 0.989 995 T CA 0.068 62.314 62.100 0.244 0.000 1.159 995 T CB 0.055 69.083 68.868 0.266 0.000 0.928 995 T HN 0.698 nan 8.240 nan 0.000 0.538 996 D N 2.508 122.906 120.400 -0.005 0.000 2.434 996 D HA 0.204 4.848 4.640 0.008 0.000 0.252 996 D C 1.284 177.444 176.300 -0.233 0.000 1.185 996 D CA 0.138 54.074 54.000 -0.108 0.000 0.886 996 D CB 0.516 41.250 40.800 -0.110 0.000 1.148 996 D HN 0.511 nan 8.370 nan 0.000 0.483 997 A N 4.261 126.886 122.820 -0.326 0.000 1.954 997 A HA -0.322 4.003 4.320 0.008 0.000 0.222 997 A C 1.978 179.172 177.584 -0.650 0.000 1.199 997 A CA 2.123 53.767 52.037 -0.655 0.000 0.657 997 A CB -0.698 17.716 19.000 -0.976 0.000 0.823 997 A HN 0.699 nan 8.150 nan 0.000 0.463 998 E N -0.539 119.437 120.200 -0.373 0.000 2.118 998 E HA -0.154 4.200 4.350 0.008 0.000 0.195 998 E C 2.125 178.591 176.600 -0.223 0.000 0.992 998 E CA 1.047 57.324 56.400 -0.204 0.000 0.804 998 E CB -0.109 29.538 29.700 -0.087 0.000 0.741 998 E HN 0.458 nan 8.360 nan 0.000 0.458 999 R N -0.223 120.074 120.500 -0.339 0.000 2.241 999 R HA -0.030 4.315 4.340 0.008 0.000 0.224 999 R C 1.743 177.868 176.300 -0.291 0.000 1.101 999 R CA 0.655 56.468 56.100 -0.478 0.000 0.995 999 R CB -0.384 29.250 30.300 -1.110 0.000 0.870 999 R HN 0.322 nan 8.270 nan 0.000 0.463 1000 L N 0.847 121.862 121.223 -0.348 0.000 2.585 1000 L HA 0.099 4.443 4.340 0.008 0.000 0.226 1000 L C 1.828 178.471 176.870 -0.379 0.000 1.113 1000 L CA 0.120 54.702 54.840 -0.430 0.000 0.876 1000 L CB -0.210 41.511 42.059 -0.563 0.000 1.072 1000 L HN 0.148 nan 8.230 nan 0.000 0.468 1001 K N 0.366 120.665 120.400 -0.168 0.000 2.113 1001 K HA -0.226 4.099 4.320 0.008 0.000 0.208 1001 K C 1.884 178.484 176.600 -0.000 0.000 1.047 1001 K CA 1.746 58.040 56.287 0.013 0.000 0.928 1001 K CB -0.691 31.906 32.500 0.162 0.000 0.716 1001 K HN 0.492 nan 8.250 nan 0.000 0.446 1002 H N 1.181 120.244 119.070 -0.012 0.000 2.561 1002 H HA 0.040 4.600 4.556 0.008 0.000 0.278 1002 H C 1.492 176.829 175.328 0.015 0.000 1.014 1002 H CA 0.564 56.618 56.048 0.010 0.000 1.211 1002 H CB -0.270 29.494 29.762 0.004 0.000 1.365 1002 H HN 0.235 nan 8.280 nan 0.000 0.594 1003 L N 0.821 121.743 121.223 -0.502 0.000 2.554 1003 L HA 0.173 4.518 4.340 0.008 0.000 0.226 1003 L C 0.640 177.458 176.870 -0.087 0.000 1.137 1003 L CA 0.086 54.733 54.840 -0.322 0.000 0.863 1003 L CB 0.086 41.898 42.059 -0.411 0.000 0.985 1003 L HN 0.099 nan 8.230 nan 0.000 0.451 1004 I N 0.655 121.208 120.570 -0.028 0.000 2.294 1004 I HA 0.142 4.317 4.170 0.008 0.000 0.295 1004 I C -0.484 175.671 176.117 0.062 0.000 1.098 1004 I CA 0.067 61.398 61.300 0.051 0.000 1.277 1004 I CB 0.702 38.763 38.000 0.101 0.000 1.434 1004 I HN -0.210 nan 8.210 nan 0.000 0.498 1005 V N 4.668 124.622 119.914 0.067 0.000 2.876 1005 V HA 0.356 4.481 4.120 0.008 0.000 0.312 1005 V C 0.159 176.297 176.094 0.073 0.000 1.085 1005 V CA -0.576 61.767 62.300 0.072 0.000 0.945 1005 V CB 2.629 34.497 31.823 0.076 0.000 1.017 1005 V HN 0.589 nan 8.190 nan 0.000 0.428 1006 T N 6.521 121.117 114.554 0.070 0.000 2.851 1006 T HA 0.338 4.692 4.350 0.008 0.000 0.298 1006 T C -2.494 172.250 174.700 0.073 0.000 0.977 1006 T CA -0.552 61.590 62.100 0.069 0.000 1.126 1006 T CB 1.011 69.917 68.868 0.063 0.000 0.916 1006 T HN 0.466 nan 8.240 nan 0.000 0.529 1007 P HA 0.417 nan 4.420 nan 0.000 0.284 1007 P C -0.837 176.508 177.300 0.074 0.000 1.253 1007 P CA -0.505 62.642 63.100 0.078 0.000 0.800 1007 P CB 1.010 32.765 31.700 0.093 0.000 0.961 1008 S N 0.432 116.169 115.700 0.061 0.000 2.776 1008 S HA 0.861 5.336 4.470 0.008 0.000 0.292 1008 S C 0.107 174.734 174.600 0.044 0.000 1.187 1008 S CA -0.148 58.093 58.200 0.068 0.000 0.834 1008 S CB 1.084 64.325 63.200 0.068 0.000 1.199 1008 S HN 0.870 nan 8.310 nan 0.000 0.514 1009 G N 0.378 109.217 108.800 0.064 0.000 2.642 1009 G HA2 0.388 4.353 3.960 0.008 0.000 0.231 1009 G HA3 0.388 4.353 3.960 0.008 0.000 0.231 1009 G C 0.176 175.078 174.900 0.004 0.000 1.338 1009 G CA 0.033 45.158 45.100 0.042 0.000 0.883 1009 G HN 1.867 nan 8.290 nan 0.000 0.570 1010 A N -1.490 121.240 122.820 -0.150 0.000 2.717 1010 A HA 0.840 5.164 4.320 0.008 0.000 0.262 1010 A C 2.312 179.251 177.584 -1.075 0.000 1.483 1010 A CA 1.025 52.717 52.037 -0.575 0.000 0.889 1010 A CB -0.303 18.433 19.000 -0.439 0.000 1.604 1010 A HN 2.519 nan 8.150 nan 0.000 0.523 1011 G N -0.987 106.731 108.800 -1.802 0.000 2.596 1011 G HA2 -0.265 3.699 3.960 0.008 0.000 0.223 1011 G HA3 -0.265 3.699 3.960 0.008 0.000 0.223 1011 G C 1.147 175.782 174.900 -0.442 0.000 1.120 1011 G CA 1.716 46.180 45.100 -1.060 0.000 0.752 1011 G HN 0.783 nan 8.290 nan 0.000 0.596 1012 E N -1.050 118.922 120.200 -0.380 0.000 2.110 1012 E HA 0.021 4.376 4.350 0.008 0.000 0.193 1012 E C 2.437 178.894 176.600 -0.239 0.000 0.950 1012 E CA 0.593 56.874 56.400 -0.198 0.000 0.840 1012 E CB -0.079 29.564 29.700 -0.095 0.000 0.809 1012 E HN 0.427 nan 8.360 nan 0.000 0.465 1013 Q N 1.431 121.036 119.800 -0.325 0.000 2.230 1013 Q HA -0.156 4.189 4.340 0.008 0.000 0.202 1013 Q C 1.710 177.621 176.000 -0.148 0.000 0.963 1013 Q CA 1.528 57.143 55.803 -0.314 0.000 0.866 1013 Q CB -0.080 28.500 28.738 -0.263 0.000 0.931 1013 Q HN 0.068 nan 8.270 nan 0.000 0.452 1014 N N -1.117 117.499 118.700 -0.139 0.000 2.205 1014 N HA -0.155 4.590 4.740 0.008 0.000 0.186 1014 N C 1.224 176.739 175.510 0.007 0.000 1.015 1014 N CA 1.638 54.665 53.050 -0.038 0.000 0.862 1014 N CB 0.044 38.522 38.487 -0.015 0.000 0.986 1014 N HN 0.262 nan 8.380 nan 0.000 0.429 1015 M N -0.258 119.335 119.600 -0.012 0.000 2.349 1015 M HA 0.073 4.558 4.480 0.008 0.000 0.266 1015 M C 1.834 178.217 176.300 0.139 0.000 1.076 1015 M CA 0.637 55.985 55.300 0.081 0.000 1.126 1015 M CB -0.685 31.985 32.600 0.117 0.000 1.392 1015 M HN 0.227 nan 8.290 nan 0.000 0.440 1016 I N -0.039 120.557 120.570 0.043 0.000 2.226 1016 I HA -0.206 3.968 4.170 0.008 0.000 0.245 1016 I C 2.511 178.673 176.117 0.075 0.000 1.100 1016 I CA 1.468 62.788 61.300 0.033 0.000 1.374 1016 I CB -0.874 37.070 38.000 -0.094 0.000 1.057 1016 I HN 0.320 nan 8.210 nan 0.000 0.413 1017 G N 0.025 108.859 108.800 0.056 0.000 2.408 1017 G HA2 -0.229 3.736 3.960 0.008 0.000 0.217 1017 G HA3 -0.229 3.736 3.960 0.008 0.000 0.217 1017 G C 1.745 176.711 174.900 0.111 0.000 1.150 1017 G CA 0.361 45.508 45.100 0.078 0.000 0.776 1017 G HN 0.237 nan 8.290 nan 0.000 0.542 1018 M N 0.388 120.064 119.600 0.128 0.000 2.200 1018 M HA -0.033 4.451 4.480 0.008 0.000 0.265 1018 M C 2.698 179.113 176.300 0.192 0.000 1.066 1018 M CA 1.385 56.778 55.300 0.153 0.000 1.127 1018 M CB -0.255 32.445 32.600 0.166 0.000 1.379 1018 M HN 0.214 nan 8.290 nan 0.000 0.420 1019 T N 1.701 116.397 114.554 0.237 0.000 2.565 1019 T HA -0.159 4.196 4.350 0.008 0.000 0.265 1019 T C -0.891 173.990 174.700 0.301 0.000 1.082 1019 T CA 2.184 64.495 62.100 0.351 0.000 1.173 1019 T CB -1.747 67.368 68.868 0.412 0.000 0.864 1019 T HN 0.389 nan 8.240 nan 0.000 0.425 1020 P HA -0.057 nan 4.420 nan 0.000 0.217 1020 P C 1.392 178.731 177.300 0.065 0.000 1.150 1020 P CA 1.459 64.632 63.100 0.122 0.000 0.832 1020 P CB -0.313 31.437 31.700 0.083 0.000 0.787 1021 T N -0.105 114.506 114.554 0.093 0.000 2.851 1021 T HA -0.027 4.328 4.350 0.008 0.000 0.262 1021 T C 2.059 176.829 174.700 0.116 0.000 1.043 1021 T CA 0.784 62.937 62.100 0.088 0.000 1.140 1021 T CB -1.019 67.909 68.868 0.100 0.000 0.872 1021 T HN -0.142 nan 8.240 nan 0.000 0.446 1022 V N 1.427 121.429 119.914 0.147 0.000 2.252 1022 V HA -0.171 3.954 4.120 0.008 0.000 0.249 1022 V C 2.360 178.536 176.094 0.136 0.000 1.056 1022 V CA 1.636 64.034 62.300 0.163 0.000 1.022 1022 V CB -0.509 31.446 31.823 0.221 0.000 0.641 1022 V HN 0.355 nan 8.190 nan 0.000 0.445 1023 I N -0.124 120.504 120.570 0.097 0.000 2.500 1023 I HA -0.024 4.150 4.170 0.008 0.000 0.252 1023 I C 2.323 178.457 176.117 0.028 0.000 1.142 1023 I CA 1.397 62.695 61.300 -0.002 0.000 1.451 1023 I CB -0.544 37.388 38.000 -0.114 0.000 1.093 1023 I HN 0.174 nan 8.210 nan 0.000 0.430 1024 A N -0.359 122.427 122.820 -0.056 0.000 1.902 1024 A HA -0.150 4.175 4.320 0.008 0.000 0.217 1024 A C 2.357 179.963 177.584 0.037 0.000 1.181 1024 A CA 2.110 54.053 52.037 -0.157 0.000 0.623 1024 A CB -1.156 17.725 19.000 -0.199 0.000 0.818 1024 A HN 0.267 nan 8.150 nan 0.000 0.443 1025 V N -0.423 119.601 119.914 0.183 0.000 2.295 1025 V HA -0.300 3.825 4.120 0.008 0.000 0.246 1025 V C 2.424 178.700 176.094 0.303 0.000 1.049 1025 V CA 2.540 65.059 62.300 0.364 0.000 1.024 1025 V CB -1.161 30.851 31.823 0.315 0.000 0.648 1025 V HN 0.836 nan 8.190 nan 0.000 0.447 1026 H N -0.569 118.579 119.070 0.130 0.000 2.265 1026 H HA -0.320 4.240 4.556 0.008 0.000 0.293 1026 H C 2.168 177.557 175.328 0.102 0.000 1.089 1026 H CA 2.843 58.950 56.048 0.097 0.000 1.244 1026 H CB -0.514 29.277 29.762 0.048 0.000 1.355 1026 H HN 0.465 nan 8.280 nan 0.000 0.485 1027 Y N 0.383 120.703 120.300 0.033 0.000 2.165 1027 Y HA -0.185 4.370 4.550 0.007 0.000 0.286 1027 Y C 2.358 178.172 175.900 -0.143 0.000 1.155 1027 Y CA 1.818 59.885 58.100 -0.056 0.000 1.164 1027 Y CB -0.349 38.085 38.460 -0.044 0.000 0.978 1027 Y HN 0.248 nan 8.280 nan 0.000 0.513 1028 L N -0.543 120.564 121.223 -0.193 0.000 2.156 1028 L HA -0.176 4.169 4.340 0.008 0.000 0.208 1028 L C 1.920 178.639 176.870 -0.251 0.000 1.095 1028 L CA 1.309 55.871 54.840 -0.464 0.000 0.770 1028 L CB -0.534 40.958 42.059 -0.944 0.000 0.914 1028 L HN 0.159 nan 8.230 nan 0.000 0.439 1029 D N -0.184 120.290 120.400 0.124 0.000 2.097 1029 D HA -0.181 4.464 4.640 0.008 0.000 0.197 1029 D C 2.206 178.485 176.300 -0.035 0.000 0.984 1029 D CA 0.899 55.027 54.000 0.213 0.000 0.826 1029 D CB 0.050 40.941 40.800 0.152 0.000 0.973 1029 D HN 0.137 nan 8.370 nan 0.000 0.460 1030 E N -0.130 119.951 120.200 -0.198 0.000 2.077 1030 E HA -0.108 4.246 4.350 0.008 0.000 0.193 1030 E C 1.745 178.195 176.600 -0.250 0.000 0.989 1030 E CA 1.462 57.715 56.400 -0.245 0.000 0.800 1030 E CB -0.056 29.447 29.700 -0.329 0.000 0.746 1030 E HN 0.403 nan 8.360 nan 0.000 0.452 1031 T N -2.221 112.105 114.554 -0.381 0.000 3.107 1031 T HA 0.121 4.476 4.350 0.008 0.000 0.249 1031 T C 0.294 174.856 174.700 -0.230 0.000 1.096 1031 T CA 0.324 62.213 62.100 -0.352 0.000 1.012 1031 T CB -0.010 68.517 68.868 -0.568 0.000 0.977 1031 T HN 0.131 nan 8.240 nan 0.000 0.527 1032 E N 0.668 120.770 120.200 -0.163 0.000 2.271 1032 E HA -0.181 4.173 4.350 0.008 0.000 0.223 1032 E C 0.143 176.701 176.600 -0.071 0.000 1.223 1032 E CA 0.239 56.609 56.400 -0.050 0.000 0.704 1032 E CB -1.353 28.326 29.700 -0.035 0.000 1.194 1032 E HN 0.702 nan 8.360 nan 0.000 0.375 1033 Q N -1.290 118.394 119.800 -0.193 0.000 2.175 1033 Q HA 0.077 4.422 4.340 0.008 0.000 0.225 1033 Q C 0.710 176.657 176.000 -0.087 0.000 0.837 1033 Q CA -0.211 55.472 55.803 -0.200 0.000 1.032 1033 Q CB 0.290 28.815 28.738 -0.354 0.000 1.137 1033 Q HN 0.526 nan 8.270 nan 0.000 0.483 1034 W N 0.883 122.229 121.300 0.077 0.000 2.539 1034 W HA -0.054 4.611 4.660 0.008 0.000 0.281 1034 W C 2.567 179.142 176.519 0.093 0.000 1.220 1034 W CA 1.118 58.547 57.345 0.141 0.000 1.332 1034 W CB 0.310 29.814 29.460 0.073 0.000 1.095 1034 W HN 0.332 nan 8.180 nan 0.000 0.571 1035 E N 1.128 121.491 120.200 0.271 0.000 2.031 1035 E HA -0.180 4.175 4.350 0.008 0.000 0.193 1035 E C 1.558 178.232 176.600 0.124 0.000 0.994 1035 E CA 1.959 58.449 56.400 0.150 0.000 0.800 1035 E CB -1.271 28.485 29.700 0.093 0.000 0.752 1035 E HN 0.220 nan 8.360 nan 0.000 0.447 1036 K N -0.695 119.774 120.400 0.115 0.000 3.216 1036 K HA 0.542 4.867 4.320 0.008 0.000 0.277 1036 K C 0.442 177.156 176.600 0.190 0.000 1.246 1036 K CA 0.460 56.808 56.287 0.102 0.000 1.227 1036 K CB -1.026 31.507 32.500 0.055 0.000 1.487 1036 K HN 0.768 nan 8.250 nan 0.000 0.341 1037 F N -2.210 117.746 119.950 0.011 0.000 2.589 1037 F HA 0.229 4.761 4.527 0.008 0.000 0.435 1037 F C 0.445 176.288 175.800 0.072 0.000 0.869 1037 F CA 0.943 58.939 58.000 -0.007 0.000 0.817 1037 F CB 0.438 39.368 39.000 -0.116 0.000 1.283 1037 F HN 0.502 nan 8.300 nan 0.000 0.557 1038 G N 2.569 111.290 108.800 -0.131 0.000 2.423 1038 G HA2 -0.008 3.957 3.960 0.008 0.000 0.234 1038 G HA3 -0.008 3.957 3.960 0.008 0.000 0.234 1038 G C 0.506 175.460 174.900 0.090 0.000 2.480 1038 G CA -0.115 44.875 45.100 -0.184 0.000 0.953 1038 G HN 0.476 nan 8.290 nan 0.000 0.575 1039 L N -0.113 121.197 121.223 0.145 0.000 2.123 1039 L HA -0.275 4.069 4.340 0.008 0.000 0.217 1039 L C 2.823 179.625 176.870 -0.113 0.000 1.081 1039 L CA 2.846 57.716 54.840 0.049 0.000 0.772 1039 L CB 0.156 42.223 42.059 0.014 0.000 0.890 1039 L HN 0.692 nan 8.230 nan 0.000 0.437 1040 E N -0.493 119.659 120.200 -0.081 0.000 2.216 1040 E HA -0.168 4.187 4.350 0.008 0.000 0.192 1040 E C 1.739 178.278 176.600 -0.101 0.000 0.988 1040 E CA 0.814 57.153 56.400 -0.101 0.000 0.834 1040 E CB -0.351 29.305 29.700 -0.073 0.000 0.772 1040 E HN 0.442 nan 8.360 nan 0.000 0.479 1041 K N 0.792 121.150 120.400 -0.070 0.000 2.283 1041 K HA -0.018 4.306 4.320 0.008 0.000 0.202 1041 K C 2.160 178.755 176.600 -0.010 0.000 1.048 1041 K CA 0.870 57.153 56.287 -0.006 0.000 0.948 1041 K CB -0.111 32.394 32.500 0.007 0.000 0.742 1041 K HN 0.036 nan 8.250 nan 0.000 0.458 1042 R N 1.437 121.757 120.500 -0.301 0.000 2.081 1042 R HA -0.205 4.140 4.340 0.008 0.000 0.235 1042 R C 2.364 178.455 176.300 -0.349 0.000 1.131 1042 R CA 1.618 57.268 56.100 -0.750 0.000 0.960 1042 R CB 0.003 29.360 30.300 -1.573 0.000 0.856 1042 R HN 0.080 nan 8.270 nan 0.000 0.436 1043 Q N -0.300 119.350 119.800 -0.249 0.000 2.119 1043 Q HA -0.041 4.303 4.340 0.008 0.000 0.201 1043 Q C 1.805 177.750 176.000 -0.091 0.000 0.972 1043 Q CA 1.989 57.697 55.803 -0.159 0.000 0.847 1043 Q CB -0.609 28.052 28.738 -0.128 0.000 0.903 1043 Q HN 0.447 nan 8.270 nan 0.000 0.433 1044 G N 0.042 108.803 108.800 -0.064 0.000 2.446 1044 G HA2 -0.252 3.712 3.960 0.008 0.000 0.217 1044 G HA3 -0.252 3.712 3.960 0.008 0.000 0.217 1044 G C 1.490 176.394 174.900 0.007 0.000 1.168 1044 G CA 1.170 46.259 45.100 -0.018 0.000 0.771 1044 G HN 0.529 nan 8.290 nan 0.000 0.551 1045 A N 0.325 123.161 122.820 0.025 0.000 1.908 1045 A HA 0.033 4.358 4.320 0.008 0.000 0.218 1045 A C 2.360 179.959 177.584 0.026 0.000 1.181 1045 A CA 1.501 53.576 52.037 0.063 0.000 0.627 1045 A CB -0.411 18.675 19.000 0.144 0.000 0.818 1045 A HN 0.297 nan 8.150 nan 0.000 0.445 1046 L N -0.387 120.820 121.223 -0.027 0.000 2.083 1046 L HA -0.136 4.208 4.340 0.008 0.000 0.209 1046 L C 2.357 179.214 176.870 -0.022 0.000 1.083 1046 L CA 2.232 57.049 54.840 -0.039 0.000 0.752 1046 L CB -1.271 40.737 42.059 -0.085 0.000 0.899 1046 L HN 0.482 nan 8.230 nan 0.000 0.433 1047 E N -0.511 119.679 120.200 -0.017 0.000 2.077 1047 E HA -0.181 4.174 4.350 0.008 0.000 0.193 1047 E C 2.317 178.931 176.600 0.023 0.000 0.989 1047 E CA 1.004 57.403 56.400 -0.001 0.000 0.800 1047 E CB -0.198 29.500 29.700 -0.002 0.000 0.746 1047 E HN 0.390 nan 8.360 nan 0.000 0.452 1048 L N -0.020 121.223 121.223 0.034 0.000 2.046 1048 L HA -0.186 4.159 4.340 0.008 0.000 0.208 1048 L C 2.345 179.255 176.870 0.067 0.000 1.077 1048 L CA 1.028 55.900 54.840 0.054 0.000 0.747 1048 L CB -0.421 41.675 42.059 0.062 0.000 0.896 1048 L HN 0.212 nan 8.230 nan 0.000 0.432 1049 I N -0.364 120.242 120.570 0.060 0.000 2.179 1049 I HA -0.320 3.855 4.170 0.008 0.000 0.242 1049 I C 2.658 178.814 176.117 0.064 0.000 1.088 1049 I CA 1.365 62.705 61.300 0.067 0.000 1.357 1049 I CB -0.339 37.688 38.000 0.045 0.000 1.051 1049 I HN 0.196 nan 8.210 nan 0.000 0.409 1050 K N 1.105 121.523 120.400 0.029 0.000 2.020 1050 K HA -0.284 4.041 4.320 0.008 0.000 0.212 1050 K C 2.248 178.910 176.600 0.102 0.000 1.050 1050 K CA 1.876 58.185 56.287 0.037 0.000 0.929 1050 K CB -0.128 32.374 32.500 0.005 0.000 0.714 1050 K HN 0.132 nan 8.250 nan 0.000 0.443 1051 K N -0.399 120.049 120.400 0.080 0.000 2.057 1051 K HA -0.135 4.189 4.320 0.008 0.000 0.207 1051 K C 2.057 178.724 176.600 0.111 0.000 1.049 1051 K CA 1.691 58.030 56.287 0.087 0.000 0.931 1051 K CB -0.281 32.260 32.500 0.069 0.000 0.714 1051 K HN 0.299 nan 8.250 nan 0.000 0.440 1052 G N 0.090 108.965 108.800 0.124 0.000 2.418 1052 G HA2 -0.304 3.661 3.960 0.008 0.000 0.217 1052 G HA3 -0.304 3.661 3.960 0.008 0.000 0.217 1052 G C 1.374 176.382 174.900 0.179 0.000 1.158 1052 G CA 0.927 46.117 45.100 0.150 0.000 0.771 1052 G HN 0.456 nan 8.290 nan 0.000 0.545 1053 Y N 2.144 122.464 120.300 0.033 0.000 2.070 1053 Y HA -0.193 4.362 4.550 0.008 0.000 0.280 1053 Y C 3.086 179.003 175.900 0.028 0.000 1.148 1053 Y CA 2.449 60.505 58.100 -0.073 0.000 1.125 1053 Y CB -0.672 37.607 38.460 -0.302 0.000 0.975 1053 Y HN 0.200 nan 8.280 nan 0.000 0.492 1054 T N 0.700 115.275 114.554 0.034 0.000 2.665 1054 T HA -0.294 4.061 4.350 0.008 0.000 0.268 1054 T C 1.723 176.415 174.700 -0.014 0.000 1.035 1054 T CA 2.101 64.192 62.100 -0.015 0.000 1.151 1054 T CB -0.379 68.539 68.868 0.083 0.000 0.862 1054 T HN 0.506 nan 8.240 nan 0.000 0.438 1055 Q N 0.123 119.963 119.800 0.065 0.000 2.172 1055 Q HA -0.096 4.248 4.340 0.008 0.000 0.200 1055 Q C 2.517 178.655 176.000 0.228 0.000 0.964 1055 Q CA 0.980 56.862 55.803 0.132 0.000 0.855 1055 Q CB -0.160 28.683 28.738 0.174 0.000 0.918 1055 Q HN 0.373 nan 8.270 nan 0.000 0.444 1056 Q N 1.000 120.924 119.800 0.207 0.000 2.124 1056 Q HA -0.100 4.245 4.340 0.008 0.000 0.202 1056 Q C 1.807 178.009 176.000 0.337 0.000 0.977 1056 Q CA 1.244 57.229 55.803 0.303 0.000 0.850 1056 Q CB -0.162 28.709 28.738 0.222 0.000 0.901 1056 Q HN 0.380 nan 8.270 nan 0.000 0.429 1057 L N -0.291 120.993 121.223 0.102 0.000 2.187 1057 L HA -0.167 4.178 4.340 0.008 0.000 0.213 1057 L C 2.148 179.010 176.870 -0.013 0.000 1.100 1057 L CA 0.944 55.818 54.840 0.057 0.000 0.765 1057 L CB -0.846 41.149 42.059 -0.107 0.000 0.904 1057 L HN 0.254 nan 8.230 nan 0.000 0.437 1058 A N -0.615 122.142 122.820 -0.104 0.000 2.178 1058 A HA -0.112 4.213 4.320 0.008 0.000 0.218 1058 A C 1.549 178.763 177.584 -0.617 0.000 1.157 1058 A CA 1.141 52.956 52.037 -0.370 0.000 0.689 1058 A CB -0.512 18.195 19.000 -0.489 0.000 0.787 1058 A HN 0.407 nan 8.150 nan 0.000 0.465 1059 F N -0.918 119.087 119.950 0.093 0.000 2.678 1059 F HA 0.288 4.820 4.527 0.008 0.000 0.305 1059 F C 0.975 176.738 175.800 -0.062 0.000 1.090 1059 F CA -0.439 57.615 58.000 0.090 0.000 1.272 1059 F CB 0.214 39.312 39.000 0.163 0.000 1.060 1059 F HN 0.015 nan 8.300 nan 0.000 0.576 1060 R N 2.309 122.748 120.500 -0.102 0.000 2.370 1060 R HA 0.140 4.484 4.340 0.008 0.000 0.309 1060 R C 0.013 176.067 176.300 -0.410 0.000 1.059 1060 R CA 0.007 55.752 56.100 -0.591 0.000 0.981 1060 R CB 0.422 30.513 30.300 -0.348 0.000 0.972 1060 R HN 0.309 nan 8.270 nan 0.000 0.437 1061 Q N 4.718 124.220 119.800 -0.496 0.000 2.317 1061 Q HA 0.134 4.478 4.340 0.008 0.000 0.229 1061 Q C -1.682 174.162 176.000 -0.260 0.000 0.984 1061 Q CA -1.868 53.752 55.803 -0.305 0.000 0.911 1061 Q CB 0.696 29.262 28.738 -0.286 0.000 1.217 1061 Q HN 0.482 nan 8.270 nan 0.000 0.501 1062 P HA -0.227 nan 4.420 nan 0.000 0.217 1062 P C 1.093 178.322 177.300 -0.119 0.000 1.148 1062 P CA 1.685 64.717 63.100 -0.113 0.000 0.834 1062 P CB 0.099 31.761 31.700 -0.064 0.000 0.783 1063 S N -2.727 112.875 115.700 -0.164 0.000 2.547 1063 S HA -0.028 4.446 4.470 0.008 0.000 0.235 1063 S C 1.271 175.737 174.600 -0.223 0.000 0.980 1063 S CA 0.865 58.979 58.200 -0.143 0.000 0.941 1063 S CB -0.928 62.145 63.200 -0.212 0.000 0.763 1063 S HN 0.049 nan 8.310 nan 0.000 0.532 1064 S N -0.530 114.988 115.700 -0.303 0.000 2.857 1064 S HA -0.160 4.315 4.470 0.008 0.000 0.268 1064 S C 0.585 174.824 174.600 -0.601 0.000 1.297 1064 S CA 0.617 58.617 58.200 -0.334 0.000 1.280 1064 S CB -2.106 61.041 63.200 -0.088 0.000 1.562 1064 S HN 1.288 nan 8.310 nan 0.000 0.661 1065 A N 0.002 122.256 122.820 -0.944 0.000 2.296 1065 A HA 0.735 5.060 4.320 0.008 0.000 0.264 1065 A C -0.198 176.815 177.584 -0.952 0.000 1.097 1065 A CA 0.178 51.528 52.037 -1.145 0.000 0.811 1065 A CB 0.247 18.021 19.000 -2.043 0.000 1.072 1065 A HN 0.320 nan 8.150 nan 0.000 0.495 1066 F N -1.251 118.486 119.950 -0.354 0.000 2.577 1066 F HA 0.711 5.243 4.527 0.008 0.000 0.318 1066 F C 0.490 176.226 175.800 -0.107 0.000 1.065 1066 F CA 0.253 58.156 58.000 -0.160 0.000 0.929 1066 F CB 2.413 41.340 39.000 -0.121 0.000 1.237 1066 F HN 0.831 nan 8.300 nan 0.000 0.468 1067 A N 0.528 123.421 122.820 0.122 0.000 2.602 1067 A HA 0.729 5.054 4.320 0.008 0.000 0.290 1067 A C 0.305 177.851 177.584 -0.062 0.000 1.114 1067 A CA -0.180 51.887 52.037 0.050 0.000 0.683 1067 A CB 0.587 19.619 19.000 0.053 0.000 1.281 1067 A HN 1.020 nan 8.150 nan 0.000 0.416 1068 A N -0.409 122.265 122.820 -0.243 0.000 1.948 1068 A HA 0.281 4.606 4.320 0.008 0.000 0.220 1068 A C 0.348 177.380 177.584 -0.919 0.000 1.177 1068 A CA 1.863 53.468 52.037 -0.719 0.000 0.636 1068 A CB -0.597 17.842 19.000 -0.935 0.000 0.815 1068 A HN 0.937 nan 8.150 nan 0.000 0.449 1069 F N -3.264 116.769 119.950 0.138 0.000 2.599 1069 F HA 0.420 4.952 4.527 0.008 0.000 0.311 1069 F C 1.065 177.002 175.800 0.228 0.000 1.076 1069 F CA -0.587 57.572 58.000 0.265 0.000 0.937 1069 F CB 1.590 40.686 39.000 0.160 0.000 1.282 1069 F HN -0.095 nan 8.300 nan 0.000 0.460 1070 V N -0.910 119.226 119.914 0.369 0.000 2.594 1070 V HA -0.111 4.013 4.120 0.008 0.000 0.253 1070 V C 1.267 177.431 176.094 0.116 0.000 1.069 1070 V CA 1.475 63.875 62.300 0.166 0.000 1.082 1070 V CB -0.612 31.247 31.823 0.060 0.000 0.680 1070 V HN 0.739 nan 8.190 nan 0.000 0.469 1071 K N 0.526 121.018 120.400 0.154 0.000 2.358 1071 K HA 0.240 4.565 4.320 0.008 0.000 0.197 1071 K C 0.957 177.630 176.600 0.122 0.000 1.025 1071 K CA -0.279 56.070 56.287 0.102 0.000 1.104 1071 K CB 0.275 32.816 32.500 0.070 0.000 0.855 1071 K HN 0.516 nan 8.250 nan 0.000 0.531 1072 R N 1.485 122.098 120.500 0.189 0.000 2.590 1072 R HA 0.170 4.515 4.340 0.008 0.000 0.274 1072 R C -0.397 175.971 176.300 0.114 0.000 1.061 1072 R CA -0.013 56.194 56.100 0.179 0.000 1.081 1072 R CB 0.535 30.992 30.300 0.262 0.000 0.984 1072 R HN 0.016 nan 8.270 nan 0.000 0.448 1073 A N 6.722 129.605 122.820 0.105 0.000 2.546 1073 A HA 0.189 4.513 4.320 0.008 0.000 0.243 1073 A C -1.999 175.648 177.584 0.106 0.000 1.063 1073 A CA -1.037 51.060 52.037 0.101 0.000 0.757 1073 A CB -0.200 18.863 19.000 0.105 0.000 0.991 1073 A HN 0.617 nan 8.150 nan 0.000 0.503 1074 P HA 0.099 nan 4.420 nan 0.000 0.271 1074 P C -0.206 177.211 177.300 0.195 0.000 1.216 1074 P CA -0.021 63.113 63.100 0.056 0.000 0.776 1074 P CB 1.107 32.718 31.700 -0.148 0.000 0.881 1075 S N 1.845 117.654 115.700 0.181 0.000 2.489 1075 S HA 0.175 4.650 4.470 0.008 0.000 0.277 1075 S C 1.371 176.193 174.600 0.369 0.000 1.230 1075 S CA -0.284 58.071 58.200 0.258 0.000 1.053 1075 S CB -0.112 63.227 63.200 0.231 0.000 0.955 1075 S HN 0.402 nan 8.310 nan 0.000 0.488 1076 T N 4.781 119.584 114.554 0.414 0.000 2.708 1076 T HA -0.124 4.231 4.350 0.008 0.000 0.266 1076 T C 1.219 176.129 174.700 0.350 0.000 1.037 1076 T CA 1.669 64.023 62.100 0.423 0.000 1.146 1076 T CB -0.519 68.528 68.868 0.299 0.000 0.865 1076 T HN 0.889 nan 8.240 nan 0.000 0.435 1077 W N 1.341 122.729 121.300 0.147 0.000 2.333 1077 W HA -0.137 4.528 4.660 0.008 0.000 0.316 1077 W C 2.002 178.625 176.519 0.173 0.000 1.215 1077 W CA 0.759 58.157 57.345 0.089 0.000 1.278 1077 W CB -0.569 28.814 29.460 -0.127 0.000 1.154 1077 W HN 0.123 nan 8.180 nan 0.000 0.486 1078 L N 0.653 122.147 121.223 0.451 0.000 2.017 1078 L HA -0.197 4.147 4.340 0.008 0.000 0.208 1078 L C 2.427 179.316 176.870 0.032 0.000 1.073 1078 L CA 2.787 57.777 54.840 0.250 0.000 0.745 1078 L CB -1.354 40.875 42.059 0.283 0.000 0.894 1078 L HN -0.040 nan 8.230 nan 0.000 0.432 1079 T N -0.295 114.343 114.554 0.140 0.000 2.720 1079 T HA -0.183 4.172 4.350 0.008 0.000 0.268 1079 T C 1.866 176.565 174.700 -0.002 0.000 1.037 1079 T CA 1.344 63.534 62.100 0.150 0.000 1.144 1079 T CB -0.540 68.483 68.868 0.258 0.000 0.864 1079 T HN 0.509 nan 8.240 nan 0.000 0.444 1080 A N 0.233 123.050 122.820 -0.005 0.000 1.969 1080 A HA -0.042 4.283 4.320 0.008 0.000 0.218 1080 A C 2.084 179.482 177.584 -0.310 0.000 1.169 1080 A CA 1.174 53.124 52.037 -0.145 0.000 0.635 1080 A CB -0.832 18.114 19.000 -0.090 0.000 0.810 1080 A HN 0.567 nan 8.150 nan 0.000 0.445 1081 Y N 0.307 120.323 120.300 -0.474 0.000 2.263 1081 Y HA -0.085 4.470 4.550 0.008 0.000 0.292 1081 Y C 2.272 177.844 175.900 -0.547 0.000 1.130 1081 Y CA 1.454 59.195 58.100 -0.598 0.000 1.179 1081 Y CB -0.211 37.608 38.460 -1.069 0.000 0.998 1081 Y HN 0.062 nan 8.280 nan 0.000 0.532 1082 V N -1.052 118.457 119.914 -0.675 0.000 2.427 1082 V HA -0.282 3.843 4.120 0.008 0.000 0.248 1082 V C 2.350 177.905 176.094 -0.898 0.000 1.051 1082 V CA 1.587 63.276 62.300 -1.018 0.000 1.048 1082 V CB -0.814 30.219 31.823 -1.316 0.000 0.666 1082 V HN 0.294 nan 8.190 nan 0.000 0.456 1083 V N 0.000 119.586 119.914 -0.547 0.000 2.255 1083 V HA -0.361 3.764 4.120 0.008 0.000 0.247 1083 V C 2.442 178.350 176.094 -0.310 0.000 1.051 1083 V CA 2.581 64.693 62.300 -0.313 0.000 1.018 1083 V CB -0.707 30.998 31.823 -0.198 0.000 0.641 1083 V HN 0.553 nan 8.190 nan 0.000 0.445 1084 K N -0.254 119.876 120.400 -0.451 0.000 2.020 1084 K HA -0.214 4.111 4.320 0.008 0.000 0.212 1084 K C 2.025 178.398 176.600 -0.378 0.000 1.050 1084 K CA 2.249 58.270 56.287 -0.442 0.000 0.929 1084 K CB -0.280 31.840 32.500 -0.633 0.000 0.714 1084 K HN 0.348 nan 8.250 nan 0.000 0.443 1085 V N 0.733 120.284 119.914 -0.605 0.000 2.323 1085 V HA -0.196 3.929 4.120 0.008 0.000 0.244 1085 V C 2.242 178.397 176.094 0.100 0.000 1.041 1085 V CA 1.462 63.582 62.300 -0.300 0.000 1.025 1085 V CB -0.583 30.944 31.823 -0.494 0.000 0.656 1085 V HN 0.231 nan 8.190 nan 0.000 0.451 1086 F N 0.952 120.807 119.950 -0.158 0.000 2.216 1086 F HA -0.104 4.428 4.527 0.008 0.000 0.300 1086 F C 2.696 178.472 175.800 -0.040 0.000 1.085 1086 F CA 1.159 59.127 58.000 -0.053 0.000 1.326 1086 F CB -1.318 37.675 39.000 -0.013 0.000 1.027 1086 F HN 0.093 nan 8.300 nan 0.000 0.497 1087 S N 0.238 116.015 115.700 0.128 0.000 2.356 1087 S HA -0.170 4.305 4.470 0.008 0.000 0.223 1087 S C 2.114 176.757 174.600 0.071 0.000 1.032 1087 S CA 0.902 59.145 58.200 0.071 0.000 1.005 1087 S CB -0.588 62.626 63.200 0.023 0.000 0.867 1087 S HN 0.174 nan 8.310 nan 0.000 0.449 1088 L N 1.476 122.751 121.223 0.087 0.000 2.083 1088 L HA 0.025 4.370 4.340 0.008 0.000 0.209 1088 L C 2.338 179.254 176.870 0.076 0.000 1.083 1088 L CA 1.487 56.365 54.840 0.063 0.000 0.752 1088 L CB -0.894 41.195 42.059 0.050 0.000 0.899 1088 L HN 0.310 nan 8.230 nan 0.000 0.433 1089 A N -1.129 121.744 122.820 0.089 0.000 2.209 1089 A HA -0.054 4.271 4.320 0.008 0.000 0.212 1089 A C 2.208 179.776 177.584 -0.027 0.000 1.158 1089 A CA 1.073 53.133 52.037 0.039 0.000 0.742 1089 A CB -0.979 18.031 19.000 0.018 0.000 0.790 1089 A HN 0.381 nan 8.150 nan 0.000 0.472 1090 V N -1.638 118.270 119.914 -0.011 0.000 2.568 1090 V HA -0.281 3.844 4.120 0.008 0.000 0.253 1090 V C 1.456 177.533 176.094 -0.029 0.000 1.072 1090 V CA 2.456 64.733 62.300 -0.038 0.000 1.084 1090 V CB -1.285 30.533 31.823 -0.009 0.000 0.676 1090 V HN 0.539 nan 8.190 nan 0.000 0.469 1091 N N 0.175 118.880 118.700 0.009 0.000 2.494 1091 N HA 0.211 4.956 4.740 0.008 0.000 0.182 1091 N C 1.408 176.914 175.510 -0.007 0.000 1.076 1091 N CA 1.094 54.154 53.050 0.015 0.000 0.908 1091 N CB -0.016 38.509 38.487 0.063 0.000 0.967 1091 N HN 0.517 nan 8.380 nan 0.000 0.449 1092 L N -0.626 120.581 121.223 -0.026 0.000 2.547 1092 L HA 0.399 4.744 4.340 0.008 0.000 0.218 1092 L C 0.313 177.131 176.870 -0.087 0.000 1.048 1092 L CA 0.093 54.908 54.840 -0.040 0.000 0.859 1092 L CB 0.184 42.239 42.059 -0.006 0.000 1.128 1092 L HN 0.084 nan 8.230 nan 0.000 0.483 1093 I N -4.040 116.448 120.570 -0.136 0.000 3.102 1093 I HA 0.712 4.887 4.170 0.008 0.000 0.310 1093 I C -0.354 175.609 176.117 -0.256 0.000 1.246 1093 I CA -1.248 59.937 61.300 -0.191 0.000 0.979 1093 I CB 1.714 39.573 38.000 -0.235 0.000 1.267 1093 I HN -0.192 nan 8.210 nan 0.000 0.451 1094 A N 3.257 125.921 122.820 -0.260 0.000 2.545 1094 A HA 0.514 4.838 4.320 0.008 0.000 0.253 1094 A C -0.533 176.724 177.584 -0.546 0.000 1.074 1094 A CA 0.623 52.491 52.037 -0.283 0.000 0.760 1094 A CB -0.598 18.287 19.000 -0.193 0.000 1.005 1094 A HN 0.542 nan 8.150 nan 0.000 0.506 1095 I N 2.483 122.794 120.570 -0.432 0.000 2.447 1095 I HA 0.191 4.366 4.170 0.008 0.000 0.287 1095 I C -0.454 175.579 176.117 -0.141 0.000 1.023 1095 I CA -0.345 60.648 61.300 -0.511 0.000 1.083 1095 I CB 1.970 39.739 38.000 -0.385 0.000 1.245 1095 I HN 0.659 nan 8.210 nan 0.000 0.434 1096 D N 4.306 124.738 120.400 0.053 0.000 2.339 1096 D HA 0.115 4.760 4.640 0.008 0.000 0.256 1096 D C 0.960 177.339 176.300 0.132 0.000 1.214 1096 D CA 0.367 54.437 54.000 0.117 0.000 0.877 1096 D CB 1.254 42.161 40.800 0.179 0.000 1.111 1096 D HN 0.492 nan 8.370 nan 0.000 0.478 1097 S N 3.345 119.094 115.700 0.082 0.000 2.374 1097 S HA -0.252 4.222 4.470 0.008 0.000 0.227 1097 S C 1.735 176.397 174.600 0.102 0.000 1.037 1097 S CA 1.205 59.455 58.200 0.083 0.000 1.024 1097 S CB -0.080 63.152 63.200 0.054 0.000 0.861 1097 S HN 0.644 nan 8.310 nan 0.000 0.456 1098 Q N 0.210 120.067 119.800 0.095 0.000 2.167 1098 Q HA -0.055 4.290 4.340 0.008 0.000 0.202 1098 Q C 2.268 178.339 176.000 0.117 0.000 0.970 1098 Q CA 1.140 56.997 55.803 0.091 0.000 0.855 1098 Q CB -0.286 28.493 28.738 0.069 0.000 0.911 1098 Q HN 0.407 nan 8.270 nan 0.000 0.438 1099 V N 0.742 120.753 119.914 0.161 0.000 2.244 1099 V HA -0.258 3.867 4.120 0.008 0.000 0.244 1099 V C 2.118 178.368 176.094 0.260 0.000 1.042 1099 V CA 1.599 64.032 62.300 0.222 0.000 1.006 1099 V CB -0.583 31.425 31.823 0.308 0.000 0.641 1099 V HN 0.318 nan 8.190 nan 0.000 0.446 1100 L N 0.150 121.535 121.223 0.270 0.000 1.994 1100 L HA -0.166 4.179 4.340 0.008 0.000 0.208 1100 L C 2.405 179.366 176.870 0.151 0.000 1.071 1100 L CA 2.358 57.338 54.840 0.232 0.000 0.745 1100 L CB -0.754 41.446 42.059 0.236 0.000 0.892 1100 L HN 0.401 nan 8.230 nan 0.000 0.431 1101 c N 0.180 118.854 118.600 0.124 0.000 2.435 1101 c HA 0.019 4.594 4.570 0.008 0.000 0.279 1101 c C 2.765 176.922 174.090 0.112 0.000 1.321 1101 c CA 0.273 56.662 56.329 0.099 0.000 1.752 1101 c CB -2.097 40.459 42.510 0.077 0.000 1.959 1101 c HN 0.770 nan 8.230 nan 0.000 0.500 1102 G N 1.023 109.895 108.800 0.119 0.000 2.446 1102 G HA2 -0.110 3.855 3.960 0.008 0.000 0.217 1102 G HA3 -0.110 3.855 3.960 0.008 0.000 0.217 1102 G C 1.903 176.900 174.900 0.162 0.000 1.168 1102 G CA 1.188 46.359 45.100 0.118 0.000 0.771 1102 G HN 0.608 nan 8.290 nan 0.000 0.551 1103 A N -0.007 122.916 122.820 0.171 0.000 1.908 1103 A HA 0.037 4.362 4.320 0.008 0.000 0.218 1103 A C 2.634 180.377 177.584 0.265 0.000 1.181 1103 A CA 1.951 54.122 52.037 0.223 0.000 0.627 1103 A CB -0.750 18.393 19.000 0.239 0.000 0.818 1103 A HN 0.286 nan 8.150 nan 0.000 0.445 1104 V N 0.062 120.076 119.914 0.167 0.000 2.287 1104 V HA -0.311 3.814 4.120 0.008 0.000 0.248 1104 V C 2.577 178.762 176.094 0.152 0.000 1.053 1104 V CA 2.589 64.961 62.300 0.120 0.000 1.027 1104 V CB -0.640 31.224 31.823 0.068 0.000 0.646 1104 V HN 0.705 nan 8.190 nan 0.000 0.447 1105 K N -1.226 119.268 120.400 0.158 0.000 2.057 1105 K HA -0.267 4.058 4.320 0.008 0.000 0.207 1105 K C 1.965 178.668 176.600 0.171 0.000 1.049 1105 K CA 2.098 58.468 56.287 0.139 0.000 0.931 1105 K CB -0.382 32.191 32.500 0.122 0.000 0.714 1105 K HN 0.580 nan 8.250 nan 0.000 0.440 1106 W N 1.252 122.580 121.300 0.048 0.000 2.355 1106 W HA -0.198 4.467 4.660 0.008 0.000 0.309 1106 W C 1.334 177.902 176.519 0.082 0.000 1.206 1106 W CA 1.489 58.864 57.345 0.050 0.000 1.284 1106 W CB -0.318 29.162 29.460 0.033 0.000 1.145 1106 W HN 0.032 nan 8.180 nan 0.000 0.502 1107 L N 0.375 121.669 121.223 0.119 0.000 2.013 1107 L HA -0.299 4.046 4.340 0.008 0.000 0.212 1107 L C 2.518 179.396 176.870 0.014 0.000 1.073 1107 L CA 1.915 56.702 54.840 -0.089 0.000 0.753 1107 L CB -0.912 41.210 42.059 0.104 0.000 0.890 1107 L HN 0.064 nan 8.230 nan 0.000 0.432 1108 I N -0.984 119.647 120.570 0.102 0.000 2.179 1108 I HA -0.306 3.869 4.170 0.008 0.000 0.242 1108 I C 2.315 178.393 176.117 -0.064 0.000 1.088 1108 I CA 1.223 62.576 61.300 0.088 0.000 1.357 1108 I CB -0.173 37.873 38.000 0.077 0.000 1.051 1108 I HN 0.189 nan 8.210 nan 0.000 0.409 1109 L N -0.084 121.080 121.223 -0.098 0.000 2.131 1109 L HA -0.103 4.242 4.340 0.008 0.000 0.206 1109 L C 2.404 179.148 176.870 -0.210 0.000 1.087 1109 L CA 1.647 56.417 54.840 -0.117 0.000 0.767 1109 L CB -0.473 41.554 42.059 -0.054 0.000 0.917 1109 L HN 0.164 nan 8.230 nan 0.000 0.441 1110 E N -0.887 119.070 120.200 -0.405 0.000 2.251 1110 E HA 0.063 4.417 4.350 0.008 0.000 0.194 1110 E C 1.348 177.711 176.600 -0.394 0.000 0.964 1110 E CA 0.448 56.566 56.400 -0.470 0.000 0.868 1110 E CB 0.277 29.514 29.700 -0.773 0.000 0.828 1110 E HN 0.250 nan 8.360 nan 0.000 0.481 1111 K N 0.624 120.784 120.400 -0.400 0.000 2.402 1111 K HA 0.172 4.497 4.320 0.008 0.000 0.204 1111 K C 0.364 176.860 176.600 -0.174 0.000 1.056 1111 K CA -0.050 56.099 56.287 -0.230 0.000 1.069 1111 K CB 1.242 33.617 32.500 -0.208 0.000 0.888 1111 K HN 0.070 nan 8.250 nan 0.000 0.546 1112 Q N 1.710 121.317 119.800 -0.322 0.000 2.278 1112 Q HA 0.171 4.516 4.340 0.008 0.000 0.257 1112 Q C -0.534 175.222 176.000 -0.408 0.000 0.928 1112 Q CA -0.391 55.032 55.803 -0.634 0.000 0.932 1112 Q CB 1.038 29.239 28.738 -0.894 0.000 1.221 1112 Q HN -0.122 nan 8.270 nan 0.000 0.434 1113 K N 3.857 124.019 120.400 -0.397 0.000 2.180 1113 K HA 0.104 4.429 4.320 0.008 0.000 0.251 1113 K C -1.863 174.590 176.600 -0.243 0.000 1.014 1113 K CA -1.485 54.637 56.287 -0.275 0.000 0.913 1113 K CB 0.443 32.787 32.500 -0.260 0.000 1.008 1113 K HN 0.494 nan 8.250 nan 0.000 0.490 1114 P HA -0.168 nan 4.420 nan 0.000 0.218 1114 P C 0.439 177.670 177.300 -0.115 0.000 1.149 1114 P CA 1.286 64.310 63.100 -0.126 0.000 0.817 1114 P CB 0.096 31.744 31.700 -0.087 0.000 0.785 1115 D N -1.744 118.581 120.400 -0.125 0.000 2.363 1115 D HA 0.032 4.676 4.640 0.008 0.000 0.226 1115 D C 1.457 177.687 176.300 -0.116 0.000 1.020 1115 D CA 0.879 54.835 54.000 -0.074 0.000 0.892 1115 D CB -0.868 39.921 40.800 -0.017 0.000 0.900 1115 D HN 0.255 nan 8.370 nan 0.000 0.531 1116 G N -0.607 108.050 108.800 -0.239 0.000 2.213 1116 G HA2 -0.265 3.700 3.960 0.008 0.000 0.236 1116 G HA3 -0.265 3.700 3.960 0.008 0.000 0.236 1116 G C 0.263 174.898 174.900 -0.443 0.000 0.991 1116 G CA 0.033 44.967 45.100 -0.276 0.000 0.629 1116 G HN 0.385 nan 8.290 nan 0.000 0.517 1117 V N 1.433 120.984 119.914 -0.606 0.000 2.788 1117 V HA 0.375 4.499 4.120 0.008 0.000 0.307 1117 V C 0.685 176.485 176.094 -0.490 0.000 1.069 1117 V CA 0.521 62.444 62.300 -0.630 0.000 1.173 1117 V CB 0.447 31.815 31.823 -0.758 0.000 0.925 1117 V HN 0.220 nan 8.190 nan 0.000 0.492 1118 F N 3.065 122.928 119.950 -0.145 0.000 2.421 1118 F HA 0.503 5.035 4.527 0.008 0.000 0.337 1118 F C 0.539 176.308 175.800 -0.053 0.000 1.105 1118 F CA -0.239 57.715 58.000 -0.077 0.000 1.049 1118 F CB 1.275 40.269 39.000 -0.010 0.000 1.139 1118 F HN 0.435 nan 8.300 nan 0.000 0.479 1119 Q N 1.331 121.206 119.800 0.125 0.000 2.342 1119 Q HA 0.351 4.695 4.340 0.008 0.000 0.267 1119 Q C -1.139 174.932 176.000 0.118 0.000 1.038 1119 Q CA -1.185 54.665 55.803 0.078 0.000 0.832 1119 Q CB 2.557 31.297 28.738 0.003 0.000 1.323 1119 Q HN 0.429 nan 8.270 nan 0.000 0.448 1120 E N 1.637 121.905 120.200 0.114 0.000 2.081 1120 E HA 0.087 4.441 4.350 0.008 0.000 0.281 1120 E C -0.632 176.028 176.600 0.101 0.000 0.986 1120 E CA 0.005 56.486 56.400 0.135 0.000 0.796 1120 E CB 0.604 30.378 29.700 0.125 0.000 1.085 1120 E HN 0.445 nan 8.360 nan 0.000 0.398 1121 D N 3.288 123.759 120.400 0.119 0.000 2.367 1121 D HA 0.144 4.789 4.640 0.008 0.000 0.207 1121 D C -0.308 176.051 176.300 0.098 0.000 1.034 1121 D CA 0.285 54.342 54.000 0.094 0.000 0.861 1121 D CB 0.685 41.540 40.800 0.092 0.000 0.943 1121 D HN 0.360 nan 8.370 nan 0.000 0.515 1122 A N 1.850 124.742 122.820 0.121 0.000 3.127 1122 A HA 0.459 4.784 4.320 0.008 0.000 0.319 1122 A C -2.707 174.932 177.584 0.091 0.000 1.104 1122 A CA -1.139 50.960 52.037 0.104 0.000 0.802 1122 A CB 0.768 19.840 19.000 0.120 0.000 1.193 1122 A HN -0.217 nan 8.150 nan 0.000 0.479 1123 P HA 0.119 nan 4.420 nan 0.000 0.264 1123 P C 0.723 178.023 177.300 0.000 0.000 1.179 1123 P CA 0.296 63.402 63.100 0.010 0.000 0.763 1123 P CB 0.523 32.206 31.700 -0.029 0.000 0.806 1124 V N 1.793 121.687 119.914 -0.034 0.000 2.999 1124 V HA 0.007 4.131 4.120 0.008 0.000 0.307 1124 V C 1.589 177.641 176.094 -0.070 0.000 1.084 1124 V CA 0.140 62.418 62.300 -0.037 0.000 1.155 1124 V CB -0.401 31.379 31.823 -0.071 0.000 0.975 1124 V HN 0.442 nan 8.190 nan 0.000 0.490 1125 I N 0.922 121.460 120.570 -0.052 0.000 2.226 1125 I HA -0.121 4.054 4.170 0.008 0.000 0.245 1125 I C 1.447 177.437 176.117 -0.212 0.000 1.100 1125 I CA 1.334 62.562 61.300 -0.119 0.000 1.374 1125 I CB -0.466 37.456 38.000 -0.130 0.000 1.057 1125 I HN 0.718 nan 8.210 nan 0.000 0.413 1126 H N 2.967 121.961 119.070 -0.125 0.000 2.923 1126 H HA 0.124 4.685 4.556 0.008 0.000 0.251 1126 H C 0.840 176.018 175.328 -0.249 0.000 1.741 1126 H CA -0.103 55.854 56.048 -0.152 0.000 1.387 1126 H CB 0.476 30.147 29.762 -0.152 0.000 1.740 1126 H HN 0.371 nan 8.280 nan 0.000 0.544 1127 Q N 1.140 120.842 119.800 -0.163 0.000 2.297 1127 Q HA -0.148 4.197 4.340 0.008 0.000 0.208 1127 Q C 1.858 177.717 176.000 -0.234 0.000 0.981 1127 Q CA 0.880 56.546 55.803 -0.229 0.000 0.876 1127 Q CB 0.200 28.841 28.738 -0.162 0.000 0.921 1127 Q HN 0.726 nan 8.270 nan 0.000 0.446 1128 E N 0.587 120.681 120.200 -0.177 0.000 2.472 1128 E HA -0.168 4.187 4.350 0.008 0.000 0.200 1128 E C 1.632 178.072 176.600 -0.268 0.000 1.046 1128 E CA 0.737 57.004 56.400 -0.223 0.000 0.871 1128 E CB -0.356 29.094 29.700 -0.417 0.000 0.806 1128 E HN 0.560 nan 8.360 nan 0.000 0.533 1129 M N -0.094 119.317 119.600 -0.315 0.000 2.502 1129 M HA 0.246 4.730 4.480 0.008 0.000 0.243 1129 M C 1.876 177.882 176.300 -0.490 0.000 1.130 1129 M CA 0.425 55.528 55.300 -0.328 0.000 1.055 1129 M CB -0.262 32.174 32.600 -0.274 0.000 1.457 1129 M HN 0.093 nan 8.290 nan 0.000 0.488 1130 I N -2.149 118.004 120.570 -0.694 0.000 3.875 1130 I HA 0.551 4.725 4.170 0.008 0.000 0.329 1130 I C 1.004 176.876 176.117 -0.408 0.000 1.295 1130 I CA 0.135 60.880 61.300 -0.925 0.000 1.129 1130 I CB -0.582 36.502 38.000 -1.526 0.000 1.008 1130 I HN 0.436 nan 8.210 nan 0.000 0.413 1131 G N 1.960 110.611 108.800 -0.249 0.000 2.574 1131 G HA2 -0.375 3.590 3.960 0.008 0.000 0.286 1131 G HA3 -0.375 3.590 3.960 0.008 0.000 0.286 1131 G C 0.854 175.366 174.900 -0.647 0.000 1.212 1131 G CA 0.243 45.261 45.100 -0.136 0.000 0.979 1131 G HN 0.601 nan 8.290 nan 0.000 0.557 1132 G N -0.772 107.470 108.800 -0.931 0.000 2.598 1132 G HA2 0.222 4.187 3.960 0.008 0.000 0.215 1132 G HA3 0.222 4.187 3.960 0.008 0.000 0.215 1132 G C 1.720 175.777 174.900 -1.405 0.000 1.131 1132 G CA 1.305 45.251 45.100 -1.923 0.000 0.785 1132 G HN 0.656 nan 8.290 nan 0.000 0.539 1133 L N 0.138 120.932 121.223 -0.715 0.000 2.353 1133 L HA 0.096 4.441 4.340 0.008 0.000 0.220 1133 L C 2.698 179.320 176.870 -0.414 0.000 1.133 1133 L CA 0.902 55.501 54.840 -0.401 0.000 0.798 1133 L CB -0.278 41.642 42.059 -0.233 0.000 0.922 1133 L HN 0.212 nan 8.230 nan 0.000 0.445 1134 R N -0.042 120.161 120.500 -0.496 0.000 2.120 1134 R HA -0.136 4.209 4.340 0.008 0.000 0.234 1134 R C 1.090 177.251 176.300 -0.231 0.000 1.123 1134 R CA 0.370 56.273 56.100 -0.328 0.000 0.975 1134 R CB -0.194 29.961 30.300 -0.242 0.000 0.866 1134 R HN 0.389 nan 8.270 nan 0.000 0.446 1135 N N 0.800 119.334 118.700 -0.277 0.000 2.237 1135 N HA -0.142 4.602 4.740 0.008 0.000 0.245 1135 N C -0.230 175.218 175.510 -0.103 0.000 1.239 1135 N CA 0.737 53.695 53.050 -0.153 0.000 0.842 1135 N CB 0.457 38.839 38.487 -0.175 0.000 1.089 1135 N HN 0.289 nan 8.380 nan 0.000 0.454 1136 N N 1.094 119.762 118.700 -0.053 0.000 2.415 1136 N HA 0.024 4.769 4.740 0.008 0.000 0.176 1136 N C -0.444 175.060 175.510 -0.009 0.000 1.042 1136 N CA 0.222 53.254 53.050 -0.030 0.000 0.902 1136 N CB 0.180 38.656 38.487 -0.019 0.000 0.986 1136 N HN 0.527 nan 8.380 nan 0.000 0.447 1137 N N 1.615 120.313 118.700 -0.004 0.000 2.529 1137 N HA 0.063 4.808 4.740 0.008 0.000 0.278 1137 N C -0.389 175.140 175.510 0.032 0.000 1.146 1137 N CA 0.263 53.323 53.050 0.016 0.000 0.980 1137 N CB 1.150 39.647 38.487 0.016 0.000 1.124 1137 N HN 0.132 nan 8.380 nan 0.000 0.458 1138 E N -0.675 119.553 120.200 0.048 0.000 2.694 1138 E HA -0.244 4.111 4.350 0.008 0.000 0.272 1138 E C 0.583 177.242 176.600 0.099 0.000 1.040 1138 E CA 0.457 56.901 56.400 0.073 0.000 0.809 1138 E CB -0.753 28.986 29.700 0.066 0.000 1.389 1138 E HN 0.617 nan 8.360 nan 0.000 0.413 1139 K N 0.633 121.081 120.400 0.081 0.000 2.057 1139 K HA -0.174 4.151 4.320 0.008 0.000 0.206 1139 K C 1.395 178.069 176.600 0.122 0.000 1.050 1139 K CA 1.780 58.114 56.287 0.078 0.000 0.935 1139 K CB 0.158 32.682 32.500 0.040 0.000 0.715 1139 K HN 0.085 nan 8.250 nan 0.000 0.439 1140 D N 0.205 120.690 120.400 0.141 0.000 2.144 1140 D HA -0.148 4.496 4.640 0.008 0.000 0.199 1140 D C 1.898 178.376 176.300 0.296 0.000 0.984 1140 D CA 1.016 55.112 54.000 0.160 0.000 0.834 1140 D CB 0.062 40.945 40.800 0.139 0.000 0.955 1140 D HN 0.244 nan 8.370 nan 0.000 0.465 1141 M N 0.224 120.030 119.600 0.343 0.000 2.156 1141 M HA 0.016 4.500 4.480 0.008 0.000 0.264 1141 M C 2.280 178.721 176.300 0.234 0.000 1.067 1141 M CA 0.634 56.134 55.300 0.334 0.000 1.131 1141 M CB -0.758 31.955 32.600 0.189 0.000 1.368 1141 M HN -0.052 nan 8.290 nan 0.000 0.416 1142 A N 0.237 123.176 122.820 0.199 0.000 1.898 1142 A HA -0.139 4.185 4.320 0.008 0.000 0.216 1142 A C 2.172 179.899 177.584 0.239 0.000 1.181 1142 A CA 1.250 53.412 52.037 0.208 0.000 0.620 1142 A CB -0.822 18.326 19.000 0.246 0.000 0.819 1142 A HN 0.394 nan 8.150 nan 0.000 0.442 1143 L N -0.260 121.101 121.223 0.230 0.000 2.027 1143 L HA -0.077 4.268 4.340 0.008 0.000 0.206 1143 L C 2.471 179.517 176.870 0.294 0.000 1.074 1143 L CA 2.806 57.807 54.840 0.268 0.000 0.745 1143 L CB -1.191 40.997 42.059 0.214 0.000 0.898 1143 L HN 0.371 nan 8.230 nan 0.000 0.433 1144 T N 0.200 114.926 114.554 0.286 0.000 2.665 1144 T HA -0.265 4.090 4.350 0.008 0.000 0.268 1144 T C 1.895 176.744 174.700 0.248 0.000 1.035 1144 T CA 1.661 63.967 62.100 0.343 0.000 1.151 1144 T CB -0.679 68.392 68.868 0.337 0.000 0.862 1144 T HN 0.543 nan 8.240 nan 0.000 0.438 1145 A N 0.932 123.870 122.820 0.196 0.000 1.877 1145 A HA -0.038 4.286 4.320 0.008 0.000 0.216 1145 A C 2.027 179.626 177.584 0.024 0.000 1.186 1145 A CA 1.539 53.623 52.037 0.078 0.000 0.620 1145 A CB -1.033 17.990 19.000 0.038 0.000 0.822 1145 A HN 0.491 nan 8.150 nan 0.000 0.443 1146 F N 0.835 120.768 119.950 -0.029 0.000 2.069 1146 F HA -0.201 4.331 4.527 0.008 0.000 0.298 1146 F C 2.227 177.960 175.800 -0.111 0.000 1.113 1146 F CA 2.275 60.258 58.000 -0.028 0.000 1.214 1146 F CB -0.314 38.736 39.000 0.083 0.000 0.978 1146 F HN 0.036 nan 8.300 nan 0.000 0.474 1147 V N 0.331 120.198 119.914 -0.079 0.000 2.358 1147 V HA -0.247 3.878 4.120 0.008 0.000 0.246 1147 V C 2.304 178.121 176.094 -0.463 0.000 1.047 1147 V CA 1.542 63.583 62.300 -0.432 0.000 1.035 1147 V CB -0.849 30.461 31.823 -0.855 0.000 0.658 1147 V HN 0.447 nan 8.190 nan 0.000 0.452 1148 L N 0.270 121.341 121.223 -0.253 0.000 2.012 1148 L HA -0.176 4.169 4.340 0.008 0.000 0.210 1148 L C 2.180 178.926 176.870 -0.206 0.000 1.073 1148 L CA 1.926 56.684 54.840 -0.137 0.000 0.748 1148 L CB -0.625 41.435 42.059 0.002 0.000 0.891 1148 L HN 0.225 nan 8.230 nan 0.000 0.431 1149 I N -0.958 119.461 120.570 -0.251 0.000 2.163 1149 I HA -0.358 3.816 4.170 0.008 0.000 0.243 1149 I C 2.432 178.390 176.117 -0.264 0.000 1.085 1149 I CA 1.620 62.762 61.300 -0.264 0.000 1.347 1149 I CB -0.487 37.399 38.000 -0.191 0.000 1.044 1149 I HN 0.237 nan 8.210 nan 0.000 0.408 1150 S N 0.686 116.155 115.700 -0.385 0.000 2.370 1150 S HA -0.148 4.327 4.470 0.008 0.000 0.226 1150 S C 1.966 176.436 174.600 -0.217 0.000 1.033 1150 S CA 1.304 59.297 58.200 -0.345 0.000 1.011 1150 S CB -0.407 62.521 63.200 -0.454 0.000 0.852 1150 S HN 0.347 nan 8.310 nan 0.000 0.457 1151 L N 1.076 122.174 121.223 -0.208 0.000 2.046 1151 L HA -0.171 4.174 4.340 0.008 0.000 0.208 1151 L C 2.648 179.462 176.870 -0.092 0.000 1.077 1151 L CA 1.319 56.086 54.840 -0.122 0.000 0.747 1151 L CB -0.756 41.250 42.059 -0.088 0.000 0.896 1151 L HN 0.381 nan 8.230 nan 0.000 0.432 1152 Q N 0.088 119.818 119.800 -0.117 0.000 2.167 1152 Q HA -0.189 4.156 4.340 0.008 0.000 0.202 1152 Q C 1.945 177.901 176.000 -0.074 0.000 0.970 1152 Q CA 1.323 57.064 55.803 -0.103 0.000 0.855 1152 Q CB -0.032 28.613 28.738 -0.156 0.000 0.911 1152 Q HN 0.553 nan 8.270 nan 0.000 0.438 1153 E N 0.212 120.367 120.200 -0.075 0.000 2.285 1153 E HA -0.039 4.315 4.350 0.008 0.000 0.194 1153 E C 1.510 178.097 176.600 -0.021 0.000 0.997 1153 E CA 0.657 57.040 56.400 -0.029 0.000 0.845 1153 E CB 0.095 29.790 29.700 -0.009 0.000 0.782 1153 E HN 0.309 nan 8.360 nan 0.000 0.491 1154 A N 1.219 124.016 122.820 -0.038 0.000 2.178 1154 A HA -0.021 4.303 4.320 0.008 0.000 0.211 1154 A C 1.894 179.477 177.584 -0.002 0.000 1.157 1154 A CA 0.277 52.305 52.037 -0.014 0.000 0.780 1154 A CB -0.095 18.894 19.000 -0.017 0.000 0.828 1154 A HN 0.009 nan 8.150 nan 0.000 0.476 1155 K N 0.387 120.779 120.400 -0.012 0.000 2.044 1155 K HA -0.245 4.080 4.320 0.008 0.000 0.210 1155 K C 1.121 177.723 176.600 0.004 0.000 1.049 1155 K CA 2.040 58.323 56.287 -0.006 0.000 0.927 1155 K CB -0.166 32.325 32.500 -0.016 0.000 0.713 1155 K HN 0.336 nan 8.250 nan 0.000 0.443 1156 D N 0.192 120.595 120.400 0.006 0.000 2.178 1156 D HA -0.131 4.514 4.640 0.008 0.000 0.201 1156 D C 1.757 178.065 176.300 0.014 0.000 0.980 1156 D CA 1.117 55.123 54.000 0.011 0.000 0.842 1156 D CB 0.011 40.819 40.800 0.015 0.000 0.948 1156 D HN 0.346 nan 8.370 nan 0.000 0.472 1157 I N -0.657 119.924 120.570 0.018 0.000 2.852 1157 I HA -0.094 4.081 4.170 0.008 0.000 0.264 1157 I C 1.596 177.729 176.117 0.026 0.000 1.179 1157 I CA 0.422 61.735 61.300 0.023 0.000 1.480 1157 I CB 0.361 38.380 38.000 0.030 0.000 1.111 1157 I HN -0.012 nan 8.210 nan 0.000 0.441 1158 c N -0.061 118.554 118.600 0.025 0.000 3.038 1158 c HA 0.147 4.722 4.570 0.008 0.000 0.279 1158 c C 2.364 176.468 174.090 0.024 0.000 1.276 1158 c CA -0.416 55.931 56.329 0.030 0.000 1.697 1158 c CB -0.288 42.242 42.510 0.033 0.000 2.032 1158 c HN 0.367 nan 8.230 nan 0.000 0.636 1159 E N 1.967 122.177 120.200 0.017 0.000 2.065 1159 E HA -0.196 4.159 4.350 0.008 0.000 0.201 1159 E C 1.867 178.476 176.600 0.015 0.000 1.016 1159 E CA 1.618 58.026 56.400 0.013 0.000 0.818 1159 E CB -0.112 29.593 29.700 0.009 0.000 0.749 1159 E HN 0.575 nan 8.360 nan 0.000 0.453 1160 E N -0.150 120.059 120.200 0.016 0.000 2.358 1160 E HA -0.115 4.240 4.350 0.008 0.000 0.195 1160 E C 1.805 178.416 176.600 0.018 0.000 1.010 1160 E CA 0.660 57.069 56.400 0.015 0.000 0.856 1160 E CB -0.079 29.629 29.700 0.013 0.000 0.795 1160 E HN 0.600 nan 8.360 nan 0.000 0.504 1161 Q N -0.485 119.329 119.800 0.024 0.000 2.246 1161 Q HA 0.202 4.547 4.340 0.008 0.000 0.222 1161 Q C 0.103 176.122 176.000 0.032 0.000 0.851 1161 Q CA 0.085 55.904 55.803 0.028 0.000 0.945 1161 Q CB 0.888 29.645 28.738 0.033 0.000 1.122 1161 Q HN -0.105 nan 8.270 nan 0.000 0.508 1162 V N 2.378 122.310 119.914 0.031 0.000 2.305 1162 V HA 0.169 4.293 4.120 0.008 0.000 0.275 1162 V C 0.434 176.543 176.094 0.026 0.000 1.020 1162 V CA -0.599 61.721 62.300 0.034 0.000 0.811 1162 V CB 0.888 32.736 31.823 0.042 0.000 1.031 1162 V HN 0.331 nan 8.190 nan 0.000 0.439 1163 N N 2.244 120.958 118.700 0.022 0.000 2.244 1163 N HA -0.133 4.611 4.740 0.008 0.000 0.183 1163 N C 1.863 177.381 175.510 0.013 0.000 1.016 1163 N CA 1.530 54.589 53.050 0.015 0.000 0.866 1163 N CB 0.282 38.776 38.487 0.013 0.000 0.980 1163 N HN 0.737 nan 8.380 nan 0.000 0.430 1164 S N 0.465 116.175 115.700 0.017 0.000 2.561 1164 S HA -0.024 4.451 4.470 0.008 0.000 0.225 1164 S C 1.811 176.421 174.600 0.018 0.000 0.977 1164 S CA 0.064 58.272 58.200 0.013 0.000 0.926 1164 S CB -0.069 63.139 63.200 0.014 0.000 0.769 1164 S HN 0.154 nan 8.310 nan 0.000 0.533 1165 L N 2.955 124.192 121.223 0.022 0.000 2.005 1165 L HA 0.159 4.504 4.340 0.008 0.000 0.207 1165 L C -1.113 175.768 176.870 0.019 0.000 1.072 1165 L CA 1.635 56.491 54.840 0.027 0.000 0.744 1165 L CB -1.513 40.560 42.059 0.023 0.000 0.895 1165 L HN 0.101 nan 8.230 nan 0.000 0.433 1166 P HA -0.106 nan 4.420 nan 0.000 0.215 1166 P C 1.542 178.843 177.300 0.002 0.000 1.153 1166 P CA 1.850 64.951 63.100 0.002 0.000 0.853 1166 P CB -0.355 31.344 31.700 -0.001 0.000 0.788 1167 G N -1.110 107.691 108.800 0.002 0.000 2.421 1167 G HA2 -0.197 3.767 3.960 0.008 0.000 0.217 1167 G HA3 -0.197 3.767 3.960 0.008 0.000 0.217 1167 G C 1.807 176.705 174.900 -0.002 0.000 1.143 1167 G CA 0.837 45.934 45.100 -0.004 0.000 0.784 1167 G HN 0.282 nan 8.290 nan 0.000 0.541 1168 S N 0.327 116.034 115.700 0.012 0.000 2.356 1168 S HA -0.071 4.403 4.470 0.008 0.000 0.223 1168 S C 2.413 177.050 174.600 0.062 0.000 1.032 1168 S CA 0.992 59.211 58.200 0.032 0.000 1.005 1168 S CB -0.312 62.937 63.200 0.082 0.000 0.867 1168 S HN 0.354 nan 8.310 nan 0.000 0.449 1169 I N 1.166 121.767 120.570 0.053 0.000 2.145 1169 I HA -0.235 3.940 4.170 0.008 0.000 0.244 1169 I C 2.541 178.671 176.117 0.021 0.000 1.075 1169 I CA 1.774 63.096 61.300 0.037 0.000 1.332 1169 I CB -0.928 37.074 38.000 0.003 0.000 1.033 1169 I HN 0.377 nan 8.210 nan 0.000 0.410 1170 T N 0.227 114.785 114.554 0.007 0.000 2.737 1170 T HA -0.121 4.234 4.350 0.008 0.000 0.265 1170 T C 1.994 176.699 174.700 0.008 0.000 1.038 1170 T CA 0.857 62.956 62.100 -0.001 0.000 1.144 1170 T CB -0.088 68.775 68.868 -0.009 0.000 0.866 1170 T HN 0.134 nan 8.240 nan 0.000 0.434 1171 K N 1.420 121.821 120.400 0.002 0.000 2.063 1171 K HA 0.056 4.381 4.320 0.008 0.000 0.208 1171 K C 2.532 179.150 176.600 0.030 0.000 1.048 1171 K CA 1.340 57.625 56.287 -0.003 0.000 0.928 1171 K CB -0.710 31.759 32.500 -0.050 0.000 0.713 1171 K HN 0.360 nan 8.250 nan 0.000 0.442 1172 A N 0.549 123.396 122.820 0.045 0.000 1.898 1172 A HA -0.059 4.265 4.320 0.008 0.000 0.216 1172 A C 2.453 180.117 177.584 0.133 0.000 1.181 1172 A CA 2.008 54.118 52.037 0.121 0.000 0.620 1172 A CB -1.010 18.126 19.000 0.227 0.000 0.819 1172 A HN 0.383 nan 8.150 nan 0.000 0.442 1173 G N -0.081 108.758 108.800 0.064 0.000 2.440 1173 G HA2 -0.269 3.695 3.960 0.008 0.000 0.218 1173 G HA3 -0.269 3.695 3.960 0.008 0.000 0.218 1173 G C 1.133 176.048 174.900 0.026 0.000 1.154 1173 G CA 1.284 46.396 45.100 0.020 0.000 0.767 1173 G HN 0.453 nan 8.290 nan 0.000 0.552 1174 D N -0.087 120.340 120.400 0.044 0.000 2.117 1174 D HA -0.107 4.538 4.640 0.008 0.000 0.197 1174 D C 1.957 178.293 176.300 0.061 0.000 0.987 1174 D CA 0.575 54.597 54.000 0.038 0.000 0.829 1174 D CB -0.387 40.438 40.800 0.042 0.000 0.961 1174 D HN 0.307 nan 8.370 nan 0.000 0.460 1175 F N 1.374 121.320 119.950 -0.007 0.000 2.102 1175 F HA -0.102 4.430 4.527 0.008 0.000 0.298 1175 F C 2.127 177.948 175.800 0.034 0.000 1.105 1175 F CA 1.083 59.086 58.000 0.006 0.000 1.239 1175 F CB -0.334 38.665 39.000 -0.002 0.000 0.991 1175 F HN -0.122 nan 8.300 nan 0.000 0.474 1176 L N 0.112 121.334 121.223 -0.001 0.000 1.989 1176 L HA -0.245 4.100 4.340 0.008 0.000 0.211 1176 L C 2.522 179.358 176.870 -0.057 0.000 1.071 1176 L CA 2.138 56.956 54.840 -0.037 0.000 0.749 1176 L CB -1.055 41.045 42.059 0.068 0.000 0.890 1176 L HN 0.241 nan 8.230 nan 0.000 0.431 1177 E N 0.381 120.542 120.200 -0.065 0.000 2.118 1177 E HA -0.243 4.112 4.350 0.008 0.000 0.195 1177 E C 2.081 178.651 176.600 -0.050 0.000 0.992 1177 E CA 1.287 57.647 56.400 -0.067 0.000 0.804 1177 E CB 0.014 29.669 29.700 -0.074 0.000 0.741 1177 E HN 0.468 nan 8.360 nan 0.000 0.458 1178 A N 0.232 122.987 122.820 -0.108 0.000 2.119 1178 A HA -0.026 4.299 4.320 0.008 0.000 0.216 1178 A C 1.591 179.093 177.584 -0.136 0.000 1.152 1178 A CA 0.838 52.811 52.037 -0.107 0.000 0.708 1178 A CB 0.046 18.981 19.000 -0.108 0.000 0.805 1178 A HN 0.233 nan 8.150 nan 0.000 0.460 1179 N N -2.647 115.935 118.700 -0.196 0.000 2.166 1179 N HA 0.053 4.797 4.740 0.008 0.000 0.213 1179 N C 0.934 176.387 175.510 -0.095 0.000 1.222 1179 N CA -0.014 52.908 53.050 -0.213 0.000 0.900 1179 N CB 0.103 38.307 38.487 -0.472 0.000 1.055 1179 N HN 0.499 nan 8.380 nan 0.000 0.515 1180 Y N 2.088 122.303 120.300 -0.141 0.000 2.165 1180 Y HA -0.110 4.445 4.550 0.007 0.000 0.286 1180 Y C 2.241 178.120 175.900 -0.036 0.000 1.155 1180 Y CA 1.641 59.696 58.100 -0.075 0.000 1.164 1180 Y CB 0.101 38.524 38.460 -0.062 0.000 0.978 1180 Y HN -0.073 nan 8.280 nan 0.000 0.513 1181 M N -0.273 119.364 119.600 0.062 0.000 2.296 1181 M HA -0.191 4.294 4.480 0.008 0.000 0.265 1181 M C 1.232 177.501 176.300 -0.053 0.000 1.064 1181 M CA 1.431 56.742 55.300 0.018 0.000 1.109 1181 M CB -1.391 31.237 32.600 0.047 0.000 1.396 1181 M HN 0.403 nan 8.290 nan 0.000 0.430 1182 N N -0.042 118.617 118.700 -0.068 0.000 2.461 1182 N HA 0.116 4.861 4.740 0.008 0.000 0.188 1182 N C 0.087 175.547 175.510 -0.083 0.000 1.134 1182 N CA -0.227 52.785 53.050 -0.064 0.000 0.878 1182 N CB 0.226 38.682 38.487 -0.051 0.000 0.972 1182 N HN 0.271 nan 8.380 nan 0.000 0.456 1183 L N 1.137 122.274 121.223 -0.145 0.000 2.456 1183 L HA -0.008 4.337 4.340 0.008 0.000 0.272 1183 L C 1.118 177.931 176.870 -0.094 0.000 1.189 1183 L CA 0.112 54.862 54.840 -0.150 0.000 0.846 1183 L CB 0.846 42.724 42.059 -0.301 0.000 1.111 1183 L HN 0.204 nan 8.230 nan 0.000 0.475 1184 Q N 1.768 121.539 119.800 -0.049 0.000 2.391 1184 Q HA 0.207 4.552 4.340 0.008 0.000 0.243 1184 Q C 0.162 176.162 176.000 0.000 0.000 0.874 1184 Q CA 0.580 56.369 55.803 -0.023 0.000 0.950 1184 Q CB 0.554 29.287 28.738 -0.008 0.000 1.103 1184 Q HN 0.494 nan 8.270 nan 0.000 0.544 1185 R N 0.475 120.987 120.500 0.020 0.000 2.297 1185 R HA 0.323 4.668 4.340 0.008 0.000 0.308 1185 R C 1.056 177.419 176.300 0.105 0.000 1.029 1185 R CA -0.088 56.055 56.100 0.073 0.000 0.929 1185 R CB 1.096 31.460 30.300 0.108 0.000 1.046 1185 R HN 0.000 nan 8.270 nan 0.000 0.461 1186 S N 1.883 117.664 115.700 0.135 0.000 2.374 1186 S HA -0.237 4.238 4.470 0.008 0.000 0.227 1186 S C 1.537 176.294 174.600 0.262 0.000 1.037 1186 S CA 1.490 59.817 58.200 0.213 0.000 1.024 1186 S CB -0.280 63.035 63.200 0.191 0.000 0.861 1186 S HN 0.666 nan 8.310 nan 0.000 0.456 1187 Y N 2.571 122.954 120.300 0.138 0.000 2.145 1187 Y HA -0.213 4.342 4.550 0.008 0.000 0.286 1187 Y C 2.548 178.497 175.900 0.082 0.000 1.145 1187 Y CA 2.035 60.209 58.100 0.124 0.000 1.148 1187 Y CB -0.955 37.554 38.460 0.083 0.000 0.981 1187 Y HN 0.234 nan 8.280 nan 0.000 0.507 1188 T N -0.374 114.272 114.554 0.154 0.000 2.777 1188 T HA -0.180 4.175 4.350 0.008 0.000 0.266 1188 T C 2.072 176.758 174.700 -0.024 0.000 1.040 1188 T CA 1.560 63.686 62.100 0.044 0.000 1.141 1188 T CB -0.972 67.949 68.868 0.089 0.000 0.868 1188 T HN 0.221 nan 8.240 nan 0.000 0.444 1189 V N 2.007 121.918 119.914 -0.006 0.000 2.282 1189 V HA -0.257 3.868 4.120 0.008 0.000 0.249 1189 V C 2.965 179.206 176.094 0.245 0.000 1.057 1189 V CA 1.932 64.257 62.300 0.042 0.000 1.032 1189 V CB -1.332 30.550 31.823 0.099 0.000 0.645 1189 V HN 0.593 nan 8.190 nan 0.000 0.447 1190 A N -0.534 122.327 122.820 0.068 0.000 1.855 1190 A HA -0.190 4.134 4.320 0.008 0.000 0.215 1190 A C 2.260 179.802 177.584 -0.070 0.000 1.191 1190 A CA 2.089 54.089 52.037 -0.063 0.000 0.613 1190 A CB -0.541 18.287 19.000 -0.286 0.000 0.829 1190 A HN 0.494 nan 8.150 nan 0.000 0.442 1191 I N -0.603 119.788 120.570 -0.298 0.000 2.179 1191 I HA -0.217 3.957 4.170 0.008 0.000 0.242 1191 I C 2.669 178.658 176.117 -0.212 0.000 1.088 1191 I CA 1.378 62.364 61.300 -0.523 0.000 1.357 1191 I CB -0.142 37.335 38.000 -0.872 0.000 1.051 1191 I HN 0.325 nan 8.210 nan 0.000 0.409 1192 A N 0.286 123.085 122.820 -0.036 0.000 2.015 1192 A HA -0.065 4.260 4.320 0.008 0.000 0.219 1192 A C 2.292 179.915 177.584 0.066 0.000 1.163 1192 A CA 1.411 53.503 52.037 0.092 0.000 0.646 1192 A CB -1.357 17.808 19.000 0.276 0.000 0.806 1192 A HN 0.538 nan 8.150 nan 0.000 0.448 1193 G N -1.497 107.383 108.800 0.133 0.000 2.422 1193 G HA2 -0.261 3.704 3.960 0.008 0.000 0.218 1193 G HA3 -0.261 3.704 3.960 0.008 0.000 0.218 1193 G C 1.527 176.252 174.900 -0.290 0.000 1.146 1193 G CA 1.261 46.252 45.100 -0.183 0.000 0.769 1193 G HN 0.556 nan 8.290 nan 0.000 0.547 1194 Y N 2.153 122.287 120.300 -0.276 0.000 2.200 1194 Y HA 0.139 4.693 4.550 0.008 0.000 0.290 1194 Y C 2.789 178.585 175.900 -0.173 0.000 1.137 1194 Y CA 0.716 58.690 58.100 -0.210 0.000 1.163 1194 Y CB -0.698 37.731 38.460 -0.051 0.000 0.988 1194 Y HN 0.245 nan 8.280 nan 0.000 0.518 1195 A N 0.704 123.364 122.820 -0.267 0.000 1.865 1195 A HA -0.186 4.139 4.320 0.008 0.000 0.217 1195 A C 2.431 179.848 177.584 -0.279 0.000 1.191 1195 A CA 2.031 53.876 52.037 -0.320 0.000 0.623 1195 A CB -1.265 17.633 19.000 -0.171 0.000 0.826 1195 A HN 0.520 nan 8.150 nan 0.000 0.444 1196 L N -0.849 120.226 121.223 -0.247 0.000 2.012 1196 L HA -0.236 4.108 4.340 0.008 0.000 0.210 1196 L C 3.143 179.856 176.870 -0.261 0.000 1.073 1196 L CA 1.190 55.873 54.840 -0.261 0.000 0.748 1196 L CB -0.605 41.235 42.059 -0.365 0.000 0.891 1196 L HN 0.472 nan 8.230 nan 0.000 0.431 1197 A N -0.716 121.930 122.820 -0.289 0.000 1.902 1197 A HA -0.261 4.063 4.320 0.008 0.000 0.217 1197 A C 2.183 179.655 177.584 -0.186 0.000 1.181 1197 A CA 1.525 53.416 52.037 -0.242 0.000 0.623 1197 A CB -0.554 18.297 19.000 -0.248 0.000 0.818 1197 A HN 0.474 nan 8.150 nan 0.000 0.443 1198 Q N -0.810 118.851 119.800 -0.231 0.000 2.248 1198 Q HA -0.178 4.166 4.340 0.008 0.000 0.208 1198 Q C 1.533 177.440 176.000 -0.155 0.000 0.984 1198 Q CA 1.636 57.312 55.803 -0.211 0.000 0.875 1198 Q CB -0.335 28.188 28.738 -0.360 0.000 0.910 1198 Q HN 0.955 nan 8.270 nan 0.000 0.433 1199 M N -3.063 116.443 119.600 -0.157 0.000 2.655 1199 M HA 0.401 4.886 4.480 0.008 0.000 0.311 1199 M C 0.697 176.934 176.300 -0.106 0.000 1.229 1199 M CA 0.316 55.547 55.300 -0.115 0.000 0.972 1199 M CB 0.397 32.934 32.600 -0.105 0.000 1.366 1199 M HN 0.054 nan 8.290 nan 0.000 0.500 1200 G N 2.162 110.892 108.800 -0.116 0.000 2.258 1200 G HA2 -0.299 3.665 3.960 0.008 0.000 0.274 1200 G HA3 -0.299 3.665 3.960 0.008 0.000 0.274 1200 G C 0.755 175.584 174.900 -0.119 0.000 1.021 1200 G CA 0.672 45.708 45.100 -0.108 0.000 0.798 1200 G HN 0.695 nan 8.290 nan 0.000 0.507 1201 R N -1.438 118.973 120.500 -0.149 0.000 2.362 1201 R HA 0.307 4.652 4.340 0.008 0.000 0.227 1201 R C 0.651 176.823 176.300 -0.213 0.000 0.905 1201 R CA -0.332 55.673 56.100 -0.158 0.000 1.067 1201 R CB 0.453 30.668 30.300 -0.141 0.000 1.078 1201 R HN 0.314 nan 8.270 nan 0.000 0.516 1202 L N 2.251 123.327 121.223 -0.245 0.000 2.288 1202 L HA 0.244 4.589 4.340 0.008 0.000 0.283 1202 L C -0.737 176.015 176.870 -0.196 0.000 1.072 1202 L CA 0.013 54.672 54.840 -0.303 0.000 0.862 1202 L CB 0.016 41.837 42.059 -0.396 0.000 1.245 1202 L HN -0.020 nan 8.230 nan 0.000 0.432 1203 K N 2.501 122.811 120.400 -0.149 0.000 2.373 1203 K HA 0.945 5.270 4.320 0.008 0.000 0.274 1203 K C 0.373 176.939 176.600 -0.058 0.000 1.024 1203 K CA -0.486 55.747 56.287 -0.089 0.000 0.867 1203 K CB -0.512 31.942 32.500 -0.076 0.000 1.524 1203 K HN 0.466 nan 8.250 nan 0.000 0.406 1204 G N 0.334 109.115 108.800 -0.032 0.000 2.614 1204 G HA2 -0.267 3.698 3.960 0.008 0.000 0.303 1204 G HA3 -0.267 3.698 3.960 0.008 0.000 0.303 1204 G C -1.428 173.476 174.900 0.007 0.000 1.270 1204 G CA 0.374 45.467 45.100 -0.013 0.000 0.988 1204 G HN 0.594 nan 8.290 nan 0.000 0.551 1205 P HA 0.036 nan 4.420 nan 0.000 0.225 1205 P C 2.041 179.388 177.300 0.079 0.000 1.148 1205 P CA 1.188 64.313 63.100 0.042 0.000 0.779 1205 P CB -0.022 31.700 31.700 0.037 0.000 0.780 1206 L N -1.081 120.173 121.223 0.051 0.000 2.095 1206 L HA -0.057 4.288 4.340 0.008 0.000 0.204 1206 L C 2.496 179.432 176.870 0.109 0.000 1.080 1206 L CA 1.204 56.093 54.840 0.083 0.000 0.759 1206 L CB -1.817 40.147 42.059 -0.158 0.000 0.914 1206 L HN -0.066 nan 8.230 nan 0.000 0.439 1207 L N 0.101 121.340 121.223 0.026 0.000 2.017 1207 L HA -0.220 4.124 4.340 0.008 0.000 0.208 1207 L C 2.281 179.250 176.870 0.165 0.000 1.073 1207 L CA 1.875 56.757 54.840 0.069 0.000 0.745 1207 L CB -0.987 41.070 42.059 -0.003 0.000 0.894 1207 L HN 0.403 nan 8.230 nan 0.000 0.432 1208 N N -0.263 118.501 118.700 0.106 0.000 2.104 1208 N HA -0.295 4.450 4.740 0.008 0.000 0.190 1208 N C 1.981 177.567 175.510 0.127 0.000 1.024 1208 N CA 1.964 55.070 53.050 0.094 0.000 0.853 1208 N CB -0.228 38.295 38.487 0.061 0.000 1.008 1208 N HN 0.432 nan 8.380 nan 0.000 0.424 1209 K N -0.861 119.647 120.400 0.180 0.000 2.009 1209 K HA -0.209 4.116 4.320 0.008 0.000 0.210 1209 K C 1.964 178.730 176.600 0.276 0.000 1.049 1209 K CA 1.569 57.979 56.287 0.204 0.000 0.929 1209 K CB -0.493 32.156 32.500 0.249 0.000 0.714 1209 K HN 0.255 nan 8.250 nan 0.000 0.440 1210 F N 1.595 121.698 119.950 0.256 0.000 2.065 1210 F HA -0.236 4.295 4.527 0.007 0.000 0.298 1210 F C 1.663 177.664 175.800 0.334 0.000 1.112 1210 F CA 1.696 59.886 58.000 0.318 0.000 1.212 1210 F CB -0.313 38.808 39.000 0.203 0.000 0.975 1210 F HN 0.008 nan 8.300 nan 0.000 0.476 1211 L N -0.302 120.971 121.223 0.082 0.000 2.109 1211 L HA -0.144 4.201 4.340 0.008 0.000 0.207 1211 L C 2.467 179.218 176.870 -0.199 0.000 1.086 1211 L CA 1.678 56.389 54.840 -0.215 0.000 0.760 1211 L CB -1.140 40.798 42.059 -0.201 0.000 0.910 1211 L HN 0.353 nan 8.230 nan 0.000 0.437 1212 T N -5.388 109.114 114.554 -0.085 0.000 3.113 1212 T HA -0.048 4.306 4.350 0.008 0.000 0.256 1212 T C 1.584 176.182 174.700 -0.169 0.000 1.131 1212 T CA 0.892 62.934 62.100 -0.096 0.000 1.074 1212 T CB -0.278 68.572 68.868 -0.032 0.000 0.944 1212 T HN 0.143 nan 8.240 nan 0.000 0.516 1213 T N 2.240 116.675 114.554 -0.197 0.000 2.951 1213 T HA 0.345 4.699 4.350 0.008 0.000 0.268 1213 T C 1.231 175.532 174.700 -0.665 0.000 1.073 1213 T CA 0.524 62.457 62.100 -0.278 0.000 1.134 1213 T CB -0.559 68.266 68.868 -0.072 0.000 0.884 1213 T HN 0.737 nan 8.240 nan 0.000 0.479 1214 A N 2.274 124.419 122.820 -1.124 0.000 2.565 1214 A HA 0.139 4.464 4.320 0.008 0.000 0.237 1214 A C 0.583 177.774 177.584 -0.655 0.000 1.053 1214 A CA 0.194 51.421 52.037 -1.350 0.000 0.755 1214 A CB 0.124 18.278 19.000 -1.411 0.000 0.980 1214 A HN 0.084 nan 8.150 nan 0.000 0.506 1215 K N 1.882 121.937 120.400 -0.574 0.000 2.312 1215 K HA 0.134 4.458 4.320 0.008 0.000 0.287 1215 K C -0.403 175.996 176.600 -0.336 0.000 1.062 1215 K CA 0.066 56.135 56.287 -0.362 0.000 0.934 1215 K CB 0.546 32.860 32.500 -0.311 0.000 1.027 1215 K HN 0.768 nan 8.250 nan 0.000 0.478 1216 D N 3.044 123.301 120.400 -0.238 0.000 2.983 1216 D HA -0.206 4.439 4.640 0.008 0.000 0.225 1216 D C -0.279 175.879 176.300 -0.237 0.000 1.174 1216 D CA 1.071 54.955 54.000 -0.194 0.000 0.831 1216 D CB -0.712 39.993 40.800 -0.158 0.000 1.104 1216 D HN 0.790 nan 8.370 nan 0.000 0.421 1217 K N -1.950 118.284 120.400 -0.276 0.000 3.209 1217 K HA -0.300 4.025 4.320 0.008 0.000 0.289 1217 K C 0.783 177.151 176.600 -0.387 0.000 1.191 1217 K CA 1.523 57.601 56.287 -0.349 0.000 0.851 1217 K CB -2.149 30.048 32.500 -0.506 0.000 1.242 1217 K HN 0.782 nan 8.250 nan 0.000 0.480 1218 N N -0.324 118.179 118.700 -0.328 0.000 2.129 1218 N HA 0.003 4.748 4.740 0.008 0.000 0.222 1218 N C -0.018 175.313 175.510 -0.299 0.000 1.303 1218 N CA -0.639 52.282 53.050 -0.214 0.000 0.897 1218 N CB 0.689 39.103 38.487 -0.123 0.000 1.093 1218 N HN 0.260 nan 8.380 nan 0.000 0.501 1219 R N -0.699 119.479 120.500 -0.538 0.000 2.680 1219 R HA 0.293 4.638 4.340 0.008 0.000 0.269 1219 R C -1.984 174.023 176.300 -0.489 0.000 1.026 1219 R CA -0.856 54.857 56.100 -0.646 0.000 0.889 1219 R CB 0.994 30.380 30.300 -1.524 0.000 1.241 1219 R HN 0.007 nan 8.270 nan 0.000 0.463 1220 W N 2.420 123.506 121.300 -0.357 0.000 2.318 1220 W HA 0.300 4.964 4.660 0.007 0.000 0.315 1220 W C -0.499 175.935 176.519 -0.141 0.000 1.033 1220 W CA -0.295 56.931 57.345 -0.199 0.000 1.275 1220 W CB 1.978 31.370 29.460 -0.114 0.000 1.250 1220 W HN 0.742 nan 8.180 nan 0.000 0.421 1221 E N 1.801 121.999 120.200 -0.003 0.000 2.340 1221 E HA 0.477 4.831 4.350 0.008 0.000 0.273 1221 E C -1.290 175.343 176.600 0.055 0.000 0.891 1221 E CA -0.838 55.585 56.400 0.039 0.000 0.757 1221 E CB 2.754 32.440 29.700 -0.024 0.000 1.231 1221 E HN 0.092 nan 8.360 nan 0.000 0.439 1222 D N 1.961 122.422 120.400 0.101 0.000 2.433 1222 D HA 0.305 4.950 4.640 0.008 0.000 0.236 1222 D C -2.355 173.983 176.300 0.064 0.000 1.026 1222 D CA -1.545 52.506 54.000 0.084 0.000 0.884 1222 D CB 1.833 42.708 40.800 0.124 0.000 1.384 1222 D HN 0.318 nan 8.370 nan 0.000 0.477 1223 P HA 0.202 nan 4.420 nan 0.000 0.260 1223 P C 0.085 177.402 177.300 0.029 0.000 1.185 1223 P CA 0.381 63.495 63.100 0.024 0.000 0.763 1223 P CB 0.478 32.188 31.700 0.016 0.000 0.776 1224 G N 2.363 111.161 108.800 -0.003 0.000 2.351 1224 G HA2 0.146 4.110 3.960 0.008 0.000 0.279 1224 G HA3 0.146 4.110 3.960 0.008 0.000 0.279 1224 G C -1.432 173.379 174.900 -0.148 0.000 1.297 1224 G CA -0.906 44.163 45.100 -0.051 0.000 0.886 1224 G HN 0.509 nan 8.290 nan 0.000 0.493 1225 K N 0.791 120.967 120.400 -0.373 0.000 2.401 1225 K HA 0.219 4.543 4.320 0.008 0.000 0.278 1225 K C 0.757 177.190 176.600 -0.280 0.000 1.018 1225 K CA -0.476 55.568 56.287 -0.404 0.000 0.981 1225 K CB 1.712 33.849 32.500 -0.605 0.000 0.933 1225 K HN 0.409 nan 8.250 nan 0.000 0.477 1226 Q N 1.844 121.562 119.800 -0.135 0.000 2.152 1226 Q HA -0.120 4.225 4.340 0.008 0.000 0.206 1226 Q C 1.865 177.835 176.000 -0.050 0.000 0.985 1226 Q CA 1.368 57.149 55.803 -0.038 0.000 0.863 1226 Q CB -0.198 28.525 28.738 -0.025 0.000 0.904 1226 Q HN 0.681 nan 8.270 nan 0.000 0.422 1227 L N -0.480 120.658 121.223 -0.142 0.000 2.081 1227 L HA -0.246 4.099 4.340 0.008 0.000 0.212 1227 L C 2.066 178.987 176.870 0.084 0.000 1.080 1227 L CA 1.271 56.032 54.840 -0.132 0.000 0.754 1227 L CB -0.442 41.551 42.059 -0.109 0.000 0.893 1227 L HN 0.277 nan 8.230 nan 0.000 0.433 1228 Y N -0.245 120.066 120.300 0.019 0.000 2.293 1228 Y HA -0.143 4.412 4.550 0.008 0.000 0.291 1228 Y C 2.505 178.529 175.900 0.207 0.000 1.137 1228 Y CA 0.435 58.589 58.100 0.091 0.000 1.202 1228 Y CB -0.969 37.494 38.460 0.006 0.000 0.990 1228 Y HN 0.322 nan 8.280 nan 0.000 0.537 1229 N N -0.243 118.648 118.700 0.317 0.000 2.216 1229 N HA -0.105 4.640 4.740 0.008 0.000 0.183 1229 N C 2.062 177.770 175.510 0.329 0.000 1.017 1229 N CA 1.087 54.315 53.050 0.296 0.000 0.861 1229 N CB -0.653 37.986 38.487 0.253 0.000 0.986 1229 N HN 0.168 nan 8.380 nan 0.000 0.428 1230 V N 1.680 121.751 119.914 0.261 0.000 2.358 1230 V HA -0.171 3.954 4.120 0.008 0.000 0.246 1230 V C 2.424 178.595 176.094 0.128 0.000 1.047 1230 V CA 1.481 63.894 62.300 0.188 0.000 1.035 1230 V CB -0.459 31.256 31.823 -0.180 0.000 0.658 1230 V HN 0.361 nan 8.190 nan 0.000 0.452 1231 E N 0.450 120.732 120.200 0.137 0.000 2.038 1231 E HA -0.257 4.098 4.350 0.008 0.000 0.195 1231 E C 2.271 179.007 176.600 0.227 0.000 1.000 1231 E CA 1.593 58.095 56.400 0.170 0.000 0.803 1231 E CB -0.238 29.646 29.700 0.308 0.000 0.750 1231 E HN 0.529 nan 8.360 nan 0.000 0.448 1232 A N 0.389 123.418 122.820 0.349 0.000 1.883 1232 A HA -0.193 4.131 4.320 0.008 0.000 0.217 1232 A C 2.423 180.091 177.584 0.140 0.000 1.186 1232 A CA 2.300 54.492 52.037 0.258 0.000 0.624 1232 A CB -1.147 18.045 19.000 0.319 0.000 0.822 1232 A HN 0.394 nan 8.150 nan 0.000 0.444 1233 T N 0.201 114.867 114.554 0.187 0.000 2.803 1233 T HA -0.110 4.245 4.350 0.008 0.000 0.269 1233 T C 2.171 176.917 174.700 0.076 0.000 1.052 1233 T CA 1.673 63.876 62.100 0.173 0.000 1.136 1233 T CB -0.297 68.712 68.868 0.234 0.000 0.864 1233 T HN 0.496 nan 8.240 nan 0.000 0.467 1234 S N 0.288 116.014 115.700 0.044 0.000 2.387 1234 S HA -0.023 4.452 4.470 0.008 0.000 0.226 1234 S C 1.716 176.222 174.600 -0.155 0.000 1.026 1234 S CA 0.663 58.823 58.200 -0.067 0.000 0.972 1234 S CB -0.419 62.706 63.200 -0.125 0.000 0.814 1234 S HN 0.478 nan 8.310 nan 0.000 0.477 1235 Y N 1.884 122.117 120.300 -0.112 0.000 2.224 1235 Y HA -0.049 4.506 4.550 0.007 0.000 0.289 1235 Y C 2.599 178.343 175.900 -0.259 0.000 1.146 1235 Y CA 0.446 58.423 58.100 -0.203 0.000 1.182 1235 Y CB -0.780 37.607 38.460 -0.121 0.000 0.983 1235 Y HN 0.277 nan 8.280 nan 0.000 0.524 1236 A N -0.743 121.997 122.820 -0.133 0.000 1.968 1236 A HA -0.110 4.215 4.320 0.008 0.000 0.217 1236 A C 2.144 179.661 177.584 -0.112 0.000 1.169 1236 A CA 1.313 53.163 52.037 -0.313 0.000 0.638 1236 A CB -0.889 17.260 19.000 -1.418 0.000 0.812 1236 A HN 0.403 nan 8.150 nan 0.000 0.446 1237 L N -0.225 120.952 121.223 -0.077 0.000 2.056 1237 L HA -0.025 4.320 4.340 0.008 0.000 0.207 1237 L C 2.158 179.022 176.870 -0.010 0.000 1.078 1237 L CA 1.591 56.450 54.840 0.032 0.000 0.749 1237 L CB -0.616 41.476 42.059 0.054 0.000 0.901 1237 L HN 0.360 nan 8.230 nan 0.000 0.433 1238 L N -0.389 120.733 121.223 -0.169 0.000 2.127 1238 L HA -0.209 4.136 4.340 0.008 0.000 0.211 1238 L C 2.625 179.399 176.870 -0.159 0.000 1.089 1238 L CA 1.199 55.843 54.840 -0.327 0.000 0.757 1238 L CB -0.863 40.630 42.059 -0.943 0.000 0.899 1238 L HN 0.420 nan 8.230 nan 0.000 0.434 1239 A N -0.072 122.687 122.820 -0.101 0.000 1.872 1239 A HA -0.116 4.208 4.320 0.008 0.000 0.214 1239 A C 2.229 179.759 177.584 -0.091 0.000 1.187 1239 A CA 1.085 53.086 52.037 -0.059 0.000 0.614 1239 A CB -0.625 18.151 19.000 -0.372 0.000 0.826 1239 A HN 0.315 nan 8.150 nan 0.000 0.442 1240 L N -0.481 120.747 121.223 0.008 0.000 2.043 1240 L HA -0.233 4.112 4.340 0.008 0.000 0.212 1240 L C 2.569 179.430 176.870 -0.015 0.000 1.075 1240 L CA 1.308 56.183 54.840 0.059 0.000 0.752 1240 L CB -0.576 41.608 42.059 0.208 0.000 0.891 1240 L HN 0.387 nan 8.230 nan 0.000 0.432 1241 L N -0.968 120.281 121.223 0.044 0.000 2.093 1241 L HA -0.222 4.123 4.340 0.008 0.000 0.208 1241 L C 2.628 179.494 176.870 -0.006 0.000 1.085 1241 L CA 0.864 55.743 54.840 0.064 0.000 0.755 1241 L CB -0.377 41.788 42.059 0.176 0.000 0.904 1241 L HN 0.279 nan 8.230 nan 0.000 0.435 1242 Q N 0.437 120.248 119.800 0.018 0.000 2.170 1242 Q HA -0.142 4.203 4.340 0.008 0.000 0.203 1242 Q C 2.055 178.012 176.000 -0.072 0.000 0.976 1242 Q CA 1.508 57.319 55.803 0.012 0.000 0.858 1242 Q CB -0.136 28.637 28.738 0.059 0.000 0.907 1242 Q HN 0.467 nan 8.270 nan 0.000 0.433 1243 L N 0.093 121.241 121.223 -0.124 0.000 2.478 1243 L HA 0.027 4.372 4.340 0.008 0.000 0.223 1243 L C 0.295 177.025 176.870 -0.234 0.000 1.140 1243 L CA 0.350 55.096 54.840 -0.157 0.000 0.842 1243 L CB -0.070 41.899 42.059 -0.150 0.000 0.953 1243 L HN 0.186 nan 8.230 nan 0.000 0.452 1244 K N -0.159 120.004 120.400 -0.396 0.000 3.016 1244 K HA -0.240 4.085 4.320 0.008 0.000 0.262 1244 K C -0.059 176.006 176.600 -0.891 0.000 1.043 1244 K CA 0.718 56.463 56.287 -0.904 0.000 0.761 1244 K CB -1.528 30.693 32.500 -0.465 0.000 1.230 1244 K HN 0.220 nan 8.250 nan 0.000 0.485 1245 D N 0.433 120.529 120.400 -0.506 0.000 2.608 1245 D HA 0.096 4.741 4.640 0.008 0.000 0.224 1245 D C 0.484 176.758 176.300 -0.043 0.000 1.123 1245 D CA -0.382 53.511 54.000 -0.179 0.000 1.030 1245 D CB -0.327 40.466 40.800 -0.011 0.000 1.093 1245 D HN 0.096 nan 8.370 nan 0.000 0.497 1246 F N 0.236 120.284 119.950 0.163 0.000 2.748 1246 F HA 0.044 4.575 4.527 0.006 0.000 0.299 1246 F C 1.868 177.771 175.800 0.173 0.000 1.154 1246 F CA 0.060 58.162 58.000 0.171 0.000 1.446 1246 F CB -0.072 39.004 39.000 0.125 0.000 1.112 1246 F HN 0.156 nan 8.300 nan 0.000 0.584 1247 D N -0.425 120.159 120.400 0.308 0.000 2.123 1247 D HA -0.138 4.506 4.640 0.008 0.000 0.200 1247 D C 2.001 178.449 176.300 0.246 0.000 0.976 1247 D CA 1.127 55.271 54.000 0.240 0.000 0.831 1247 D CB -0.387 40.530 40.800 0.196 0.000 0.974 1247 D HN 0.201 nan 8.370 nan 0.000 0.469 1248 F N 0.329 120.363 119.950 0.139 0.000 2.325 1248 F HA -0.098 4.434 4.527 0.008 0.000 0.299 1248 F C 2.085 177.986 175.800 0.168 0.000 1.090 1248 F CA 0.441 58.526 58.000 0.141 0.000 1.392 1248 F CB 0.125 39.220 39.000 0.159 0.000 1.053 1248 F HN -0.197 nan 8.300 nan 0.000 0.521 1249 V N 1.483 121.634 119.914 0.394 0.000 2.282 1249 V HA -0.263 3.862 4.120 0.008 0.000 0.249 1249 V C -0.490 175.726 176.094 0.203 0.000 1.057 1249 V CA 2.297 64.806 62.300 0.349 0.000 1.032 1249 V CB -1.724 30.376 31.823 0.462 0.000 0.645 1249 V HN 0.216 nan 8.190 nan 0.000 0.447 1250 P HA -0.029 nan 4.420 nan 0.000 0.217 1250 P C -1.439 175.878 177.300 0.029 0.000 1.151 1250 P CA 1.375 64.528 63.100 0.089 0.000 0.828 1250 P CB -1.179 30.582 31.700 0.103 0.000 0.788 1251 P HA -0.082 nan 4.420 nan 0.000 0.220 1251 P C 1.566 178.895 177.300 0.048 0.000 1.148 1251 P CA 0.933 64.018 63.100 -0.024 0.000 0.803 1251 P CB -0.398 31.216 31.700 -0.143 0.000 0.782 1252 V N -0.478 119.488 119.914 0.086 0.000 2.323 1252 V HA -0.178 3.947 4.120 0.008 0.000 0.244 1252 V C 2.468 178.653 176.094 0.151 0.000 1.041 1252 V CA 1.627 64.040 62.300 0.189 0.000 1.025 1252 V CB -1.235 30.769 31.823 0.302 0.000 0.656 1252 V HN -0.048 nan 8.190 nan 0.000 0.451 1253 V N -0.083 119.835 119.914 0.007 0.000 2.332 1253 V HA -0.306 3.818 4.120 0.008 0.000 0.248 1253 V C 2.577 178.639 176.094 -0.054 0.000 1.055 1253 V CA 2.222 64.435 62.300 -0.146 0.000 1.038 1253 V CB -0.850 30.673 31.823 -0.499 0.000 0.651 1253 V HN 0.440 nan 8.190 nan 0.000 0.450 1254 R N -1.632 118.868 120.500 0.001 0.000 2.081 1254 R HA -0.223 4.122 4.340 0.008 0.000 0.235 1254 R C 2.140 178.483 176.300 0.072 0.000 1.131 1254 R CA 2.109 58.224 56.100 0.024 0.000 0.960 1254 R CB -0.371 29.949 30.300 0.034 0.000 0.856 1254 R HN 0.687 nan 8.270 nan 0.000 0.436 1255 W N 1.106 122.381 121.300 -0.042 0.000 2.363 1255 W HA -0.155 4.509 4.660 0.007 0.000 0.296 1255 W C 1.492 177.988 176.519 -0.039 0.000 1.212 1255 W CA 1.283 58.609 57.345 -0.032 0.000 1.260 1255 W CB -0.202 29.250 29.460 -0.013 0.000 1.131 1255 W HN -0.002 nan 8.180 nan 0.000 0.530 1256 L N 0.532 121.824 121.223 0.115 0.000 2.005 1256 L HA -0.261 4.084 4.340 0.008 0.000 0.207 1256 L C 2.414 179.144 176.870 -0.233 0.000 1.072 1256 L CA 1.472 56.256 54.840 -0.094 0.000 0.744 1256 L CB -1.135 40.941 42.059 0.027 0.000 0.895 1256 L HN -0.031 nan 8.230 nan 0.000 0.433 1257 N N 0.281 118.898 118.700 -0.139 0.000 2.149 1257 N HA -0.210 4.534 4.740 0.008 0.000 0.188 1257 N C 1.621 177.036 175.510 -0.159 0.000 1.019 1257 N CA 1.329 54.310 53.050 -0.114 0.000 0.857 1257 N CB -0.178 38.279 38.487 -0.049 0.000 0.997 1257 N HN 0.430 nan 8.380 nan 0.000 0.426 1258 E N 0.285 120.360 120.200 -0.208 0.000 2.478 1258 E HA -0.059 4.296 4.350 0.008 0.000 0.198 1258 E C 1.268 177.653 176.600 -0.360 0.000 1.046 1258 E CA 0.210 56.469 56.400 -0.235 0.000 0.870 1258 E CB 0.116 29.694 29.700 -0.204 0.000 0.818 1258 E HN 0.313 nan 8.360 nan 0.000 0.527 1259 Q N 0.304 119.801 119.800 -0.505 0.000 2.369 1259 Q HA -0.039 4.305 4.340 0.008 0.000 0.206 1259 Q C 0.197 175.984 176.000 -0.355 0.000 0.963 1259 Q CA 0.385 55.890 55.803 -0.496 0.000 0.894 1259 Q CB -0.063 28.293 28.738 -0.636 0.000 0.965 1259 Q HN 0.255 nan 8.270 nan 0.000 0.475 1260 R N -0.061 120.206 120.500 -0.389 0.000 3.322 1260 R HA -0.237 4.107 4.340 0.008 0.000 0.253 1260 R C -0.751 174.963 176.300 -0.976 0.000 0.987 1260 R CA 0.395 56.099 56.100 -0.659 0.000 0.666 1260 R CB -2.828 27.260 30.300 -0.352 0.000 1.072 1260 R HN 0.226 nan 8.270 nan 0.000 0.447 1261 Y N 0.591 120.406 120.300 -0.809 0.000 2.454 1261 Y HA 0.218 4.772 4.550 0.007 0.000 0.345 1261 Y C 0.204 175.860 175.900 -0.406 0.000 0.970 1261 Y CA -0.957 56.823 58.100 -0.532 0.000 1.204 1261 Y CB 0.365 38.628 38.460 -0.329 0.000 1.122 1261 Y HN 0.103 nan 8.280 nan 0.000 0.514 1262 Y N 3.724 123.709 120.300 -0.524 0.000 2.555 1262 Y HA 0.421 4.976 4.550 0.007 0.000 0.259 1262 Y C 1.297 177.157 175.900 -0.067 0.000 1.179 1262 Y CA -0.478 57.563 58.100 -0.099 0.000 1.230 1262 Y CB -0.063 38.440 38.460 0.071 0.000 1.146 1262 Y HN 0.816 nan 8.280 nan 0.000 0.526 1263 G N 0.177 108.605 108.800 -0.620 0.000 2.877 1263 G HA2 0.289 4.254 3.960 0.008 0.000 0.279 1263 G HA3 0.289 4.254 3.960 0.008 0.000 0.279 1263 G C 0.077 175.075 174.900 0.163 0.000 1.431 1263 G CA -0.021 45.005 45.100 -0.123 0.000 0.883 1263 G HN 1.262 nan 8.290 nan 0.000 0.547 1264 G N -1.823 107.111 108.800 0.223 0.000 2.712 1264 G HA2 0.559 4.523 3.960 0.008 0.000 0.686 1264 G HA3 0.559 4.523 3.960 0.008 0.000 0.686 1264 G C 1.071 176.082 174.900 0.185 0.000 1.181 1264 G CA 0.788 46.029 45.100 0.235 0.000 0.762 1264 G HN 3.254 nan 8.290 nan 0.000 0.641 1265 G N -0.255 108.646 108.800 0.168 0.000 2.570 1265 G HA2 0.405 4.370 3.960 0.008 0.000 0.686 1265 G HA3 0.405 4.370 3.960 0.008 0.000 0.686 1265 G C -0.174 174.832 174.900 0.177 0.000 1.257 1265 G CA 0.061 45.261 45.100 0.166 0.000 0.846 1265 G HN 2.269 nan 8.290 nan 0.000 0.627 1266 Y N 1.222 121.570 120.300 0.080 0.000 2.810 1266 Y HA 0.289 4.844 4.550 0.008 0.000 0.332 1266 Y C 1.674 177.623 175.900 0.082 0.000 1.243 1266 Y CA 2.091 60.235 58.100 0.074 0.000 1.537 1266 Y CB 0.457 38.952 38.460 0.060 0.000 1.265 1266 Y HN 2.533 nan 8.280 nan 0.000 0.572 1267 G N 3.028 111.496 108.800 -0.553 0.000 2.162 1267 G HA2 -0.341 3.624 3.960 0.008 0.000 0.260 1267 G HA3 -0.341 3.624 3.960 0.008 0.000 0.260 1267 G C 0.734 175.602 174.900 -0.052 0.000 0.976 1267 G CA 0.716 45.600 45.100 -0.360 0.000 0.655 1267 G HN 1.362 nan 8.290 nan 0.000 0.533 1268 S N -1.109 114.613 115.700 0.037 0.000 2.557 1268 S HA 0.253 4.728 4.470 0.008 0.000 0.223 1268 S C 1.822 176.537 174.600 0.191 0.000 0.969 1268 S CA 1.246 59.554 58.200 0.180 0.000 0.927 1268 S CB 0.165 63.529 63.200 0.273 0.000 0.806 1268 S HN 0.344 nan 8.310 nan 0.000 0.489 1269 T N 2.659 117.275 114.554 0.104 0.000 2.708 1269 T HA -0.089 4.266 4.350 0.008 0.000 0.266 1269 T C 1.898 176.733 174.700 0.224 0.000 1.037 1269 T CA 1.503 63.691 62.100 0.146 0.000 1.146 1269 T CB -0.251 68.631 68.868 0.024 0.000 0.865 1269 T HN 0.334 nan 8.240 nan 0.000 0.435 1270 Q N 0.721 120.620 119.800 0.166 0.000 2.083 1270 Q HA 0.165 4.510 4.340 0.008 0.000 0.198 1270 Q C 2.736 178.888 176.000 0.254 0.000 0.969 1270 Q CA 1.397 57.347 55.803 0.245 0.000 0.838 1270 Q CB -0.882 27.995 28.738 0.233 0.000 0.900 1270 Q HN 0.555 nan 8.270 nan 0.000 0.436 1271 A N 0.569 123.503 122.820 0.190 0.000 1.908 1271 A HA -0.176 4.149 4.320 0.008 0.000 0.218 1271 A C 2.328 180.067 177.584 0.259 0.000 1.181 1271 A CA 2.113 54.216 52.037 0.110 0.000 0.627 1271 A CB -0.825 18.087 19.000 -0.147 0.000 0.818 1271 A HN 0.408 nan 8.150 nan 0.000 0.445 1272 T N -1.082 113.715 114.554 0.405 0.000 2.701 1272 T HA -0.096 4.259 4.350 0.008 0.000 0.263 1272 T C 1.654 176.612 174.700 0.430 0.000 1.040 1272 T CA 1.431 63.819 62.100 0.481 0.000 1.147 1272 T CB -0.431 68.688 68.868 0.419 0.000 0.865 1272 T HN 0.426 nan 8.240 nan 0.000 0.426 1273 F N 1.461 121.576 119.950 0.275 0.000 2.069 1273 F HA -0.146 4.385 4.527 0.008 0.000 0.298 1273 F C 2.236 178.129 175.800 0.155 0.000 1.113 1273 F CA 1.339 59.483 58.000 0.240 0.000 1.214 1273 F CB -0.208 38.963 39.000 0.284 0.000 0.978 1273 F HN -0.007 nan 8.300 nan 0.000 0.474 1274 M N -0.757 119.004 119.600 0.268 0.000 2.200 1274 M HA -0.102 4.383 4.480 0.008 0.000 0.265 1274 M C 2.410 178.652 176.300 -0.097 0.000 1.066 1274 M CA 0.978 56.288 55.300 0.017 0.000 1.127 1274 M CB -1.494 31.001 32.600 -0.176 0.000 1.379 1274 M HN 0.183 nan 8.290 nan 0.000 0.420 1275 V N -0.055 119.799 119.914 -0.100 0.000 2.343 1275 V HA -0.250 3.875 4.120 0.008 0.000 0.247 1275 V C 2.069 177.931 176.094 -0.387 0.000 1.051 1275 V CA 1.777 63.918 62.300 -0.266 0.000 1.036 1275 V CB -0.391 31.229 31.823 -0.339 0.000 0.654 1275 V HN 0.249 nan 8.190 nan 0.000 0.451 1276 F N -0.007 119.896 119.950 -0.078 0.000 2.367 1276 F HA -0.024 4.508 4.527 0.008 0.000 0.298 1276 F C 2.454 178.257 175.800 0.004 0.000 1.094 1276 F CA 1.578 59.504 58.000 -0.124 0.000 1.409 1276 F CB -0.631 38.264 39.000 -0.175 0.000 1.064 1276 F HN 0.195 nan 8.300 nan 0.000 0.528 1277 Q N 0.599 120.405 119.800 0.009 0.000 2.050 1277 Q HA -0.210 4.135 4.340 0.008 0.000 0.202 1277 Q C 2.416 178.464 176.000 0.081 0.000 0.980 1277 Q CA 1.808 57.599 55.803 -0.021 0.000 0.840 1277 Q CB -0.261 28.362 28.738 -0.192 0.000 0.898 1277 Q HN 0.358 nan 8.270 nan 0.000 0.424 1278 A N 0.670 123.488 122.820 -0.002 0.000 1.883 1278 A HA -0.176 4.148 4.320 0.008 0.000 0.217 1278 A C 2.050 179.719 177.584 0.141 0.000 1.186 1278 A CA 1.414 53.459 52.037 0.014 0.000 0.624 1278 A CB -0.736 18.226 19.000 -0.063 0.000 0.822 1278 A HN 0.458 nan 8.150 nan 0.000 0.444 1279 L N -1.061 120.254 121.223 0.153 0.000 2.109 1279 L HA -0.108 4.236 4.340 0.008 0.000 0.207 1279 L C 3.076 180.233 176.870 0.479 0.000 1.086 1279 L CA 0.824 55.847 54.840 0.304 0.000 0.760 1279 L CB -0.498 41.676 42.059 0.192 0.000 0.910 1279 L HN 0.436 nan 8.230 nan 0.000 0.437 1280 A N -0.337 122.776 122.820 0.489 0.000 1.877 1280 A HA -0.282 4.042 4.320 0.008 0.000 0.216 1280 A C 2.206 179.902 177.584 0.187 0.000 1.186 1280 A CA 1.798 54.024 52.037 0.315 0.000 0.620 1280 A CB -0.543 18.637 19.000 0.300 0.000 0.822 1280 A HN 0.356 nan 8.150 nan 0.000 0.443 1281 Q N -1.320 118.615 119.800 0.225 0.000 2.061 1281 Q HA -0.236 4.109 4.340 0.008 0.000 0.204 1281 Q C 1.854 177.958 176.000 0.172 0.000 0.984 1281 Q CA 2.439 58.348 55.803 0.176 0.000 0.846 1281 Q CB -0.653 28.182 28.738 0.162 0.000 0.902 1281 Q HN 0.770 nan 8.270 nan 0.000 0.421 1282 Y N 0.288 120.664 120.300 0.125 0.000 2.128 1282 Y HA -0.252 4.302 4.550 0.006 0.000 0.284 1282 Y C 1.942 177.896 175.900 0.090 0.000 1.154 1282 Y CA 2.066 60.244 58.100 0.130 0.000 1.149 1282 Y CB -0.174 38.367 38.460 0.134 0.000 0.976 1282 Y HN 0.168 nan 8.280 nan 0.000 0.505 1283 Q N 0.564 120.311 119.800 -0.087 0.000 2.224 1283 Q HA -0.182 4.163 4.340 0.008 0.000 0.203 1283 Q C 2.202 178.083 176.000 -0.199 0.000 0.970 1283 Q CA 1.579 57.260 55.803 -0.204 0.000 0.865 1283 Q CB -0.229 28.487 28.738 -0.036 0.000 0.922 1283 Q HN 0.567 nan 8.270 nan 0.000 0.445 1284 K N 0.354 120.688 120.400 -0.110 0.000 2.076 1284 K HA -0.124 4.201 4.320 0.008 0.000 0.204 1284 K C 1.003 177.546 176.600 -0.094 0.000 1.051 1284 K CA 1.304 57.541 56.287 -0.084 0.000 0.949 1284 K CB 0.329 32.816 32.500 -0.023 0.000 0.726 1284 K HN -0.004 nan 8.250 nan 0.000 0.443 1285 D N 0.285 120.633 120.400 -0.085 0.000 2.197 1285 D HA 0.065 4.710 4.640 0.008 0.000 0.212 1285 D C 0.083 176.243 176.300 -0.233 0.000 0.963 1285 D CA 0.589 54.566 54.000 -0.038 0.000 0.864 1285 D CB -0.097 40.800 40.800 0.161 0.000 1.009 1285 D HN 0.234 nan 8.370 nan 0.000 0.479 1286 A N 1.777 124.362 122.820 -0.393 0.000 2.440 1286 A HA 0.407 4.732 4.320 0.008 0.000 0.251 1286 A C -1.798 175.450 177.584 -0.561 0.000 1.089 1286 A CA -0.913 50.746 52.037 -0.630 0.000 0.779 1286 A CB -0.280 18.393 19.000 -0.545 0.000 1.022 1286 A HN -0.009 nan 8.150 nan 0.000 0.492 1287 P HA 0.000 nan 4.420 nan 0.000 0.216 1287 P CA 0.000 62.869 63.100 -0.386 0.000 0.800 1287 P CB 0.000 31.490 31.700 -0.350 0.000 0.726