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 1h8t_1_B DATA FIRST_RESID 1010 DATA SEQUENCE SDRVRSITLG NSTITTQESA NVVVGYGRWP EYLRDDEATA EDQPTQPDVA DATA SEQUENCE TCRFYTLESV TWEKDSPGWW WKFPDALKDM GLFGQNMYYH YLGRAGYTIH DATA SEQUENCE VQCNASKFHQ GCLLVVCVPE AEMGCSTVDG TVNEHGLSEG ETAKKFSATG DATA SEQUENCE TNGTNTVQSI VTNAGMGVGV GNLTIFPHQW INLRTNNCAT IVMPYINNVP DATA SEQUENCE MDNMFRHHNF TLMIIPFVPL NYSSDFSTYV PITVTVAPMC AEYNGLRLST DATA SEQUENCE ALQ 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 1010 S HA 0.000 nan 4.470 nan 0.000 0.327 1010 S C 0.000 174.603 174.600 0.004 0.000 1.055 1010 S CA 0.000 58.203 58.200 0.004 0.000 1.107 1010 S CB 0.000 63.203 63.200 0.006 0.000 0.593 1011 D N -0.376 120.027 120.400 0.006 0.000 2.368 1011 D HA 0.193 4.833 4.640 -0.000 0.000 0.218 1011 D C 1.207 177.514 176.300 0.011 0.000 1.112 1011 D CA -0.368 53.637 54.000 0.007 0.000 0.834 1011 D CB 0.011 40.815 40.800 0.007 0.000 0.953 1011 D HN 0.352 nan 8.370 nan 0.000 0.505 1012 R N 0.372 120.879 120.500 0.011 0.000 2.100 1012 R HA 0.137 4.477 4.340 -0.000 0.000 0.220 1012 R C 0.644 176.953 176.300 0.014 0.000 1.091 1012 R CA 0.125 56.234 56.100 0.015 0.000 0.986 1012 R CB -0.327 29.982 30.300 0.015 0.000 0.888 1012 R HN 0.127 nan 8.270 nan 0.000 0.444 1013 V N 2.545 122.465 119.914 0.009 0.000 2.740 1013 V HA 0.122 4.242 4.120 -0.000 0.000 0.303 1013 V C 0.467 176.562 176.094 0.002 0.000 1.054 1013 V CA 0.021 62.324 62.300 0.005 0.000 1.106 1013 V CB 0.555 32.380 31.823 0.002 0.000 0.957 1013 V HN 0.290 nan 8.190 nan 0.000 0.486 1014 R N 2.732 123.229 120.500 -0.005 0.000 2.725 1014 R HA 0.498 4.838 4.340 -0.000 0.000 0.254 1014 R C -1.355 174.924 176.300 -0.034 0.000 1.076 1014 R CA -0.216 55.877 56.100 -0.013 0.000 0.940 1014 R CB 1.610 31.907 30.300 -0.005 0.000 1.260 1014 R HN 0.791 nan 8.270 nan 0.000 0.466 1015 S N 4.430 120.110 115.700 -0.032 0.000 2.542 1015 S HA 0.795 5.265 4.470 -0.000 0.000 0.293 1015 S C -0.921 173.662 174.600 -0.027 0.000 1.089 1015 S CA -0.641 57.532 58.200 -0.044 0.000 0.961 1015 S CB 1.237 64.421 63.200 -0.025 0.000 1.062 1015 S HN 0.500 nan 8.310 nan 0.000 0.483 1016 I N 2.355 122.911 120.570 -0.024 0.000 2.607 1016 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 1016 I C -0.958 175.246 176.117 0.146 0.000 1.129 1016 I CA -0.486 60.854 61.300 0.067 0.000 1.042 1016 I CB 2.788 40.854 38.000 0.111 0.000 1.242 1016 I HN 0.574 nan 8.210 nan 0.000 0.421 1017 T N 6.839 121.471 114.554 0.131 0.000 2.840 1017 T HA 0.666 5.016 4.350 -0.000 0.000 0.287 1017 T C -0.622 174.106 174.700 0.047 0.000 0.991 1017 T CA -0.438 61.730 62.100 0.113 0.000 0.964 1017 T CB 1.221 70.119 68.868 0.050 0.000 0.954 1017 T HN 0.271 nan 8.240 nan 0.000 0.438 1018 L N 2.857 124.075 121.223 -0.010 0.000 2.439 1018 L HA 0.633 4.973 4.340 -0.000 0.000 0.270 1018 L C 0.982 177.777 176.870 -0.124 0.000 0.972 1018 L CA -0.424 54.324 54.840 -0.154 0.000 0.836 1018 L CB 1.571 43.368 42.059 -0.436 0.000 1.255 1018 L HN 0.948 nan 8.230 nan 0.000 0.404 1019 G N 3.339 112.092 108.800 -0.077 0.000 2.583 1019 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.292 1019 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.292 1019 G C 0.366 175.251 174.900 -0.025 0.000 1.203 1019 G CA 0.624 45.693 45.100 -0.052 0.000 0.987 1019 G HN 1.009 nan 8.290 nan 0.000 0.554 1020 N N 0.284 118.969 118.700 -0.024 0.000 2.295 1020 N HA 0.384 5.124 4.740 -0.000 0.000 0.221 1020 N C 0.308 175.825 175.510 0.011 0.000 1.129 1020 N CA 0.561 53.610 53.050 -0.003 0.000 0.836 1020 N CB 0.280 38.767 38.487 0.000 0.000 1.040 1020 N HN 0.908 nan 8.380 nan 0.000 0.494 1021 S N -0.637 115.080 115.700 0.030 0.000 2.536 1021 S HA 0.514 4.984 4.470 -0.000 0.000 0.287 1021 S C -0.740 173.959 174.600 0.166 0.000 1.101 1021 S CA -0.549 57.709 58.200 0.097 0.000 0.950 1021 S CB 2.168 65.457 63.200 0.149 0.000 1.056 1021 S HN 0.032 nan 8.310 nan 0.000 0.481 1022 T N 2.851 117.469 114.554 0.106 0.000 2.886 1022 T HA 0.560 4.910 4.350 -0.000 0.000 0.292 1022 T C -0.635 174.021 174.700 -0.073 0.000 1.012 1022 T CA -0.479 61.657 62.100 0.059 0.000 0.982 1022 T CB 0.818 69.699 68.868 0.021 0.000 1.018 1022 T HN 0.673 nan 8.240 nan 0.000 0.451 1023 I N 2.833 123.291 120.570 -0.188 0.000 2.562 1023 I HA 0.624 4.794 4.170 -0.000 0.000 0.301 1023 I C 0.434 176.416 176.117 -0.225 0.000 1.003 1023 I CA -0.690 60.402 61.300 -0.347 0.000 1.127 1023 I CB 2.161 39.707 38.000 -0.757 0.000 1.304 1023 I HN 0.712 nan 8.210 nan 0.000 0.446 1024 T N 0.657 115.109 114.554 -0.170 0.000 2.896 1024 T HA 0.803 5.153 4.350 -0.000 0.000 0.297 1024 T C -0.658 174.008 174.700 -0.056 0.000 1.108 1024 T CA -0.677 61.364 62.100 -0.098 0.000 1.004 1024 T CB 2.071 70.908 68.868 -0.052 0.000 1.159 1024 T HN 0.663 nan 8.240 nan 0.000 0.499 1025 T N 0.048 114.587 114.554 -0.024 0.000 2.923 1025 T HA 0.482 4.832 4.350 -0.000 0.000 0.311 1025 T C 0.077 174.784 174.700 0.011 0.000 1.183 1025 T CA -0.931 61.180 62.100 0.019 0.000 1.020 1025 T CB 2.194 71.098 68.868 0.060 0.000 1.165 1025 T HN 0.638 nan 8.240 nan 0.000 0.482 1026 Q N -0.060 119.750 119.800 0.016 0.000 2.281 1026 Q HA 0.208 4.548 4.340 -0.000 0.000 0.215 1026 Q C -0.097 175.914 176.000 0.019 0.000 0.867 1026 Q CA 0.271 56.082 55.803 0.014 0.000 0.940 1026 Q CB 0.963 29.708 28.738 0.012 0.000 1.111 1026 Q HN 0.721 nan 8.270 nan 0.000 0.513 1027 E N 1.416 121.631 120.200 0.025 0.000 3.626 1027 E HA 0.111 4.461 4.350 -0.000 0.000 0.245 1027 E C -1.003 175.618 176.600 0.035 0.000 1.236 1027 E CA -0.186 56.231 56.400 0.028 0.000 1.072 1027 E CB 1.082 30.799 29.700 0.027 0.000 1.309 1027 E HN 0.092 nan 8.360 nan 0.000 0.400 1028 S N -0.611 115.111 115.700 0.036 0.000 2.687 1028 S HA 0.765 5.235 4.470 -0.000 0.000 0.283 1028 S C 0.678 175.298 174.600 0.034 0.000 1.170 1028 S CA -0.213 58.013 58.200 0.043 0.000 1.008 1028 S CB 2.032 65.260 63.200 0.047 0.000 1.026 1028 S HN 0.245 nan 8.310 nan 0.000 0.541 1029 A N 2.019 124.859 122.820 0.034 0.000 3.513 1029 A HA 0.432 4.752 4.320 -0.000 0.000 0.195 1029 A C 0.939 178.537 177.584 0.022 0.000 2.063 1029 A CA 0.018 52.072 52.037 0.028 0.000 1.375 1029 A CB -1.046 17.973 19.000 0.031 0.000 1.204 1029 A HN 0.946 nan 8.150 nan 0.000 0.385 1030 N N -2.909 115.800 118.700 0.015 0.000 3.014 1030 N HA 0.552 5.292 4.740 -0.000 0.000 0.307 1030 N C -1.634 173.885 175.510 0.016 0.000 1.362 1030 N CA -0.297 52.761 53.050 0.013 0.000 0.714 1030 N CB 1.415 39.904 38.487 0.003 0.000 1.349 1030 N HN 0.241 nan 8.380 nan 0.000 0.452 1031 V N 1.349 121.268 119.914 0.009 0.000 2.752 1031 V HA 0.349 4.469 4.120 -0.000 0.000 0.302 1031 V C -1.005 175.069 176.094 -0.033 0.000 1.133 1031 V CA -0.722 61.581 62.300 0.004 0.000 0.919 1031 V CB 1.655 33.508 31.823 0.051 0.000 1.026 1031 V HN 0.238 nan 8.190 nan 0.000 0.429 1032 V N 5.290 125.150 119.914 -0.091 0.000 2.481 1032 V HA 0.534 4.654 4.120 -0.000 0.000 0.286 1032 V C -0.256 175.728 176.094 -0.183 0.000 1.042 1032 V CA -0.446 61.771 62.300 -0.138 0.000 0.928 1032 V CB 2.046 33.749 31.823 -0.199 0.000 0.986 1032 V HN 0.614 nan 8.190 nan 0.000 0.462 1033 V N 4.913 124.723 119.914 -0.173 0.000 2.378 1033 V HA 0.595 4.715 4.120 -0.000 0.000 0.288 1033 V C 1.133 177.087 176.094 -0.233 0.000 1.016 1033 V CA 0.260 62.414 62.300 -0.244 0.000 0.840 1033 V CB 0.603 32.340 31.823 -0.143 0.000 0.994 1033 V HN 1.109 nan 8.190 nan 0.000 0.431 1034 G N 4.029 112.652 108.800 -0.294 0.000 2.774 1034 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.760 1034 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.760 1034 G C 0.113 174.825 174.900 -0.312 0.000 1.114 1034 G CA 1.249 46.190 45.100 -0.265 0.000 0.849 1034 G HN 0.760 nan 8.290 nan 0.000 0.796 1035 Y N 1.622 121.882 120.300 -0.067 0.000 2.813 1035 Y HA 0.459 5.009 4.550 -0.000 0.000 0.378 1035 Y C 1.544 177.433 175.900 -0.017 0.000 1.023 1035 Y CA 0.517 58.600 58.100 -0.029 0.000 1.567 1035 Y CB 0.425 38.875 38.460 -0.017 0.000 1.492 1035 Y HN 1.188 nan 8.280 nan 0.000 0.533 1036 G N 0.976 109.802 108.800 0.043 0.000 2.148 1036 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.254 1036 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.254 1036 G C 0.171 175.124 174.900 0.088 0.000 0.981 1036 G CA -0.450 44.687 45.100 0.061 0.000 0.670 1036 G HN 0.396 nan 8.290 nan 0.000 0.528 1037 R N -0.645 119.894 120.500 0.065 0.000 2.393 1037 R HA 0.316 4.656 4.340 -0.000 0.000 0.315 1037 R C -0.215 176.094 176.300 0.015 0.000 0.952 1037 R CA -0.843 55.304 56.100 0.078 0.000 0.842 1037 R CB 1.234 31.580 30.300 0.077 0.000 1.163 1037 R HN 0.224 nan 8.270 nan 0.000 0.450 1038 W N 4.600 125.887 121.300 -0.022 0.000 2.202 1038 W HA 0.208 4.868 4.660 0.000 0.000 0.332 1038 W C -2.130 174.354 176.519 -0.058 0.000 1.263 1038 W CA -1.840 55.477 57.345 -0.046 0.000 1.223 1038 W CB 0.827 30.260 29.460 -0.046 0.000 1.128 1038 W HN 0.346 nan 8.180 nan 0.000 0.573 1039 P HA -0.009 nan 4.420 nan 0.000 0.269 1039 P C -1.019 176.281 177.300 0.001 0.000 1.209 1039 P CA 0.636 63.684 63.100 -0.086 0.000 0.776 1039 P CB 0.638 32.213 31.700 -0.208 0.000 0.876 1040 E N 0.650 120.815 120.200 -0.058 0.000 2.429 1040 E HA 0.391 4.741 4.350 -0.000 0.000 0.276 1040 E C -1.232 175.311 176.600 -0.096 0.000 0.953 1040 E CA -0.905 55.469 56.400 -0.043 0.000 0.787 1040 E CB 0.731 30.455 29.700 0.039 0.000 1.307 1040 E HN 0.182 nan 8.360 nan 0.000 0.458 1041 Y N 0.495 120.779 120.300 -0.028 0.000 2.300 1041 Y HA 0.235 4.785 4.550 -0.000 0.000 0.328 1041 Y C 0.422 176.288 175.900 -0.056 0.000 1.270 1041 Y CA -0.723 57.339 58.100 -0.064 0.000 1.352 1041 Y CB 0.801 39.227 38.460 -0.056 0.000 1.286 1041 Y HN 0.481 nan 8.280 nan 0.000 0.536 1042 L N 3.653 124.939 121.223 0.106 0.000 2.499 1042 L HA 0.129 4.469 4.340 -0.000 0.000 0.273 1042 L C -0.165 176.726 176.870 0.034 0.000 1.195 1042 L CA 0.126 54.985 54.840 0.032 0.000 0.882 1042 L CB 0.016 42.063 42.059 -0.019 0.000 1.133 1042 L HN 0.573 nan 8.230 nan 0.000 0.483 1043 R N 3.524 124.042 120.500 0.030 0.000 2.500 1043 R HA 0.188 4.528 4.340 -0.000 0.000 0.275 1043 R C 0.671 176.978 176.300 0.012 0.000 1.051 1043 R CA -0.710 55.403 56.100 0.023 0.000 1.088 1043 R CB 0.482 30.799 30.300 0.027 0.000 1.063 1043 R HN 0.614 nan 8.270 nan 0.000 0.511 1044 D N 1.216 121.620 120.400 0.006 0.000 2.221 1044 D HA -0.170 4.470 4.640 -0.000 0.000 0.204 1044 D C 0.874 177.179 176.300 0.008 0.000 0.982 1044 D CA 1.443 55.445 54.000 0.004 0.000 0.857 1044 D CB -0.051 40.749 40.800 0.001 0.000 0.934 1044 D HN 0.627 nan 8.370 nan 0.000 0.475 1045 D N 0.006 120.413 120.400 0.011 0.000 2.319 1045 D HA -0.045 4.595 4.640 -0.000 0.000 0.230 1045 D C 0.762 177.072 176.300 0.016 0.000 1.094 1045 D CA 0.231 54.239 54.000 0.013 0.000 0.856 1045 D CB 0.036 40.843 40.800 0.013 0.000 0.915 1045 D HN 0.247 nan 8.370 nan 0.000 0.517 1046 E N -0.251 119.959 120.200 0.017 0.000 2.641 1046 E HA 0.257 4.607 4.350 -0.000 0.000 0.224 1046 E C 0.213 176.825 176.600 0.019 0.000 0.951 1046 E CA -0.286 56.127 56.400 0.021 0.000 1.102 1046 E CB 1.395 31.110 29.700 0.027 0.000 1.091 1046 E HN 0.235 nan 8.360 nan 0.000 0.507 1047 A N 0.768 123.596 122.820 0.013 0.000 2.293 1047 A HA 0.433 4.753 4.320 -0.000 0.000 0.302 1047 A C 0.878 178.471 177.584 0.015 0.000 1.119 1047 A CA -0.193 51.850 52.037 0.009 0.000 0.823 1047 A CB 0.677 19.678 19.000 0.002 0.000 1.097 1047 A HN 0.077 nan 8.150 nan 0.000 0.491 1048 T N 0.059 114.624 114.554 0.018 0.000 3.125 1048 T HA 0.397 4.747 4.350 -0.000 0.000 0.252 1048 T C 0.999 175.718 174.700 0.033 0.000 0.981 1048 T CA 0.563 62.679 62.100 0.027 0.000 1.069 1048 T CB -0.623 68.267 68.868 0.036 0.000 1.091 1048 T HN 1.219 nan 8.240 nan 0.000 0.460 1049 A N 2.062 124.901 122.820 0.032 0.000 2.522 1049 A HA 0.224 4.544 4.320 -0.000 0.000 0.256 1049 A C 0.915 178.521 177.584 0.036 0.000 1.086 1049 A CA -0.076 51.989 52.037 0.047 0.000 0.763 1049 A CB -0.062 18.963 19.000 0.041 0.000 1.024 1049 A HN 0.515 nan 8.150 nan 0.000 0.502 1050 E N 1.145 121.372 120.200 0.044 0.000 2.385 1050 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 1050 E C 0.048 176.668 176.600 0.033 0.000 1.013 1050 E CA 0.323 56.743 56.400 0.034 0.000 0.866 1050 E CB 0.155 29.875 29.700 0.034 0.000 0.832 1050 E HN 0.931 nan 8.360 nan 0.000 0.500 1051 D N 0.884 121.313 120.400 0.047 0.000 2.344 1051 D HA -0.042 4.598 4.640 -0.000 0.000 0.244 1051 D C 0.132 176.453 176.300 0.035 0.000 1.134 1051 D CA -0.411 53.617 54.000 0.048 0.000 0.930 1051 D CB 0.785 41.628 40.800 0.072 0.000 1.175 1051 D HN -0.240 nan 8.370 nan 0.000 0.437 1052 Q N 0.749 120.567 119.800 0.029 0.000 2.286 1052 Q HA 0.208 4.548 4.340 -0.000 0.000 0.290 1052 Q C -2.318 173.693 176.000 0.019 0.000 1.049 1052 Q CA -0.593 55.218 55.803 0.014 0.000 0.923 1052 Q CB 0.490 29.236 28.738 0.013 0.000 1.183 1052 Q HN 0.260 nan 8.270 nan 0.000 0.383 1053 P HA 0.274 nan 4.420 nan 0.000 0.276 1053 P C -1.155 176.142 177.300 -0.005 0.000 1.261 1053 P CA -0.538 62.551 63.100 -0.018 0.000 0.800 1053 P CB 1.058 32.719 31.700 -0.065 0.000 1.066 1054 T N 1.436 115.999 114.554 0.014 0.000 2.823 1054 T HA 0.393 4.743 4.350 -0.000 0.000 0.279 1054 T C -0.437 174.308 174.700 0.075 0.000 0.998 1054 T CA -0.534 61.597 62.100 0.053 0.000 0.994 1054 T CB 0.619 69.540 68.868 0.088 0.000 0.960 1054 T HN 0.289 nan 8.240 nan 0.000 0.448 1055 Q N 2.470 122.300 119.800 0.050 0.000 2.932 1055 Q HA 0.218 4.558 4.340 -0.000 0.000 0.248 1055 Q C -2.001 174.066 176.000 0.113 0.000 0.982 1055 Q CA -1.790 54.059 55.803 0.077 0.000 0.730 1055 Q CB 1.374 30.058 28.738 -0.090 0.000 1.249 1055 Q HN 0.397 nan 8.270 nan 0.000 0.476 1056 P HA -0.248 nan 4.420 nan 0.000 0.218 1056 P C 0.222 177.602 177.300 0.133 0.000 1.146 1056 P CA 1.579 64.767 63.100 0.146 0.000 0.820 1056 P CB 0.291 32.106 31.700 0.191 0.000 0.778 1057 D N -1.934 118.562 120.400 0.159 0.000 3.996 1057 D HA -0.266 4.374 4.640 -0.000 0.000 0.140 1057 D C 1.263 177.621 176.300 0.098 0.000 0.829 1057 D CA 2.672 56.751 54.000 0.132 0.000 1.111 1057 D CB -1.281 39.579 40.800 0.099 0.000 0.516 1057 D HN -0.021 nan 8.370 nan 0.000 0.517 1058 V N -1.800 118.152 119.914 0.064 0.000 2.392 1058 V HA -0.023 4.097 4.120 -0.000 0.000 0.249 1058 V C 2.415 178.540 176.094 0.051 0.000 1.059 1058 V CA 3.169 65.491 62.300 0.035 0.000 1.051 1058 V CB -1.589 30.247 31.823 0.021 0.000 0.658 1058 V HN 0.714 nan 8.190 nan 0.000 0.455 1059 A N -0.757 122.114 122.820 0.085 0.000 2.070 1059 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 1059 A C 2.319 180.016 177.584 0.189 0.000 1.159 1059 A CA 2.439 54.544 52.037 0.113 0.000 0.656 1059 A CB -0.697 18.369 19.000 0.110 0.000 0.800 1059 A HN 0.587 nan 8.150 nan 0.000 0.453 1060 T N -2.691 111.990 114.554 0.213 0.000 3.019 1060 T HA 0.094 4.444 4.350 -0.000 0.000 0.247 1060 T C 0.198 175.068 174.700 0.283 0.000 0.992 1060 T CA 0.510 62.824 62.100 0.358 0.000 1.036 1060 T CB -0.019 69.093 68.868 0.406 0.000 1.063 1060 T HN 0.327 nan 8.240 nan 0.000 0.476 1061 C N 5.237 124.603 119.300 0.110 0.000 2.138 1061 C HA 0.680 5.140 4.460 -0.000 0.000 0.398 1061 C C 0.493 175.379 174.990 -0.173 0.000 1.029 1061 C CA -1.005 57.994 59.018 -0.031 0.000 1.426 1061 C CB -2.098 25.617 27.740 -0.041 0.000 1.652 1061 C HN 0.547 nan 8.230 nan 0.000 0.486 1062 R N -0.231 120.094 120.500 -0.292 0.000 2.766 1062 R HA 0.599 4.939 4.340 -0.000 0.000 0.270 1062 R C -1.520 174.408 176.300 -0.620 0.000 1.035 1062 R CA -0.824 54.999 56.100 -0.462 0.000 0.911 1062 R CB 0.592 30.677 30.300 -0.358 0.000 1.243 1062 R HN 0.090 nan 8.270 nan 0.000 0.460 1063 F N 1.480 121.250 119.950 -0.301 0.000 2.444 1063 F HA 0.313 4.840 4.527 -0.000 0.000 0.360 1063 F C -0.438 175.173 175.800 -0.315 0.000 1.106 1063 F CA 0.032 57.892 58.000 -0.234 0.000 1.170 1063 F CB 0.330 39.257 39.000 -0.123 0.000 1.113 1063 F HN 0.257 nan 8.300 nan 0.000 0.521 1064 Y N 1.279 121.691 120.300 0.187 0.000 2.341 1064 Y HA 0.393 4.943 4.550 -0.000 0.000 0.337 1064 Y C 0.480 176.440 175.900 0.100 0.000 1.014 1064 Y CA -0.868 57.303 58.100 0.117 0.000 1.111 1064 Y CB 1.527 40.034 38.460 0.077 0.000 1.194 1064 Y HN 0.374 nan 8.280 nan 0.000 0.462 1065 T N 5.381 120.061 114.554 0.209 0.000 2.767 1065 T HA 0.507 4.857 4.350 -0.000 0.000 0.284 1065 T C 0.048 174.802 174.700 0.089 0.000 0.973 1065 T CA -0.650 61.516 62.100 0.109 0.000 0.996 1065 T CB 0.245 69.152 68.868 0.065 0.000 0.927 1065 T HN 0.365 nan 8.240 nan 0.000 0.456 1066 L N 2.002 123.244 121.223 0.031 0.000 2.439 1066 L HA 0.419 4.759 4.340 -0.000 0.000 0.259 1066 L C 1.128 178.028 176.870 0.050 0.000 1.129 1066 L CA -0.924 53.934 54.840 0.029 0.000 0.803 1066 L CB 0.418 42.447 42.059 -0.050 0.000 1.161 1066 L HN 0.617 nan 8.230 nan 0.000 0.462 1067 E N 0.998 121.251 120.200 0.089 0.000 2.415 1067 E HA 0.033 4.383 4.350 -0.000 0.000 0.263 1067 E C -0.648 176.011 176.600 0.099 0.000 0.995 1067 E CA -0.376 56.078 56.400 0.090 0.000 0.915 1067 E CB 0.768 30.525 29.700 0.095 0.000 0.951 1067 E HN 0.541 nan 8.360 nan 0.000 0.449 1068 S N 2.228 117.969 115.700 0.067 0.000 2.600 1068 S HA 0.250 4.720 4.470 -0.000 0.000 0.265 1068 S C -0.020 174.598 174.600 0.031 0.000 1.325 1068 S CA -0.487 57.736 58.200 0.038 0.000 1.002 1068 S CB 1.261 64.482 63.200 0.034 0.000 0.921 1068 S HN 0.522 nan 8.310 nan 0.000 0.554 1069 V N -1.073 118.802 119.914 -0.066 0.000 3.001 1069 V HA 0.756 4.876 4.120 -0.000 0.000 0.314 1069 V C -0.363 175.694 176.094 -0.062 0.000 1.099 1069 V CA -0.791 61.439 62.300 -0.117 0.000 0.989 1069 V CB 1.703 33.231 31.823 -0.492 0.000 1.040 1069 V HN 0.713 nan 8.190 nan 0.000 0.434 1070 T N 3.460 118.091 114.554 0.127 0.000 2.767 1070 T HA 0.319 4.669 4.350 -0.000 0.000 0.284 1070 T C -0.860 174.097 174.700 0.429 0.000 0.973 1070 T CA 0.152 62.388 62.100 0.228 0.000 0.996 1070 T CB 0.773 69.831 68.868 0.316 0.000 0.927 1070 T HN 0.809 nan 8.240 nan 0.000 0.456 1071 W N 5.167 126.559 121.300 0.153 0.000 2.387 1071 W HA 0.311 4.971 4.660 -0.000 0.000 0.310 1071 W C -0.207 176.474 176.519 0.271 0.000 1.181 1071 W CA -1.297 56.243 57.345 0.325 0.000 1.333 1071 W CB -0.145 29.444 29.460 0.214 0.000 1.286 1071 W HN 0.634 nan 8.180 nan 0.000 0.455 1072 E N 4.135 124.734 120.200 0.665 0.000 2.227 1072 E HA 0.126 4.476 4.350 -0.000 0.000 0.268 1072 E C 0.772 177.550 176.600 0.296 0.000 0.990 1072 E CA -0.794 55.827 56.400 0.368 0.000 0.856 1072 E CB 1.730 31.607 29.700 0.294 0.000 1.159 1072 E HN 0.309 nan 8.360 nan 0.000 0.401 1073 K N 0.683 121.178 120.400 0.159 0.000 2.362 1073 K HA -0.174 4.146 4.320 -0.000 0.000 0.202 1073 K C 0.531 177.201 176.600 0.117 0.000 1.045 1073 K CA 1.600 57.931 56.287 0.074 0.000 0.936 1073 K CB 0.037 32.535 32.500 -0.003 0.000 0.747 1073 K HN 0.412 nan 8.250 nan 0.000 0.467 1074 D N -1.564 118.922 120.400 0.144 0.000 2.599 1074 D HA 0.025 4.665 4.640 -0.000 0.000 0.249 1074 D C -0.530 175.819 176.300 0.083 0.000 1.313 1074 D CA -0.316 53.745 54.000 0.101 0.000 0.815 1074 D CB 0.067 40.901 40.800 0.056 0.000 1.077 1074 D HN -0.288 nan 8.370 nan 0.000 0.492 1075 S N 2.129 117.919 115.700 0.150 0.000 2.537 1075 S HA 0.157 4.627 4.470 -0.000 0.000 0.286 1075 S C -1.572 172.925 174.600 -0.171 0.000 1.299 1075 S CA -0.497 57.676 58.200 -0.045 0.000 1.067 1075 S CB 1.523 64.739 63.200 0.027 0.000 0.864 1075 S HN 0.141 nan 8.310 nan 0.000 0.494 1076 P HA 0.227 nan 4.420 nan 0.000 0.217 1076 P C 0.664 177.790 177.300 -0.289 0.000 1.153 1076 P CA 0.628 63.600 63.100 -0.213 0.000 0.843 1076 P CB 0.169 31.792 31.700 -0.128 0.000 0.794 1077 G N -2.802 105.658 108.800 -0.567 0.000 2.341 1077 G HA2 0.320 4.280 3.960 -0.000 0.000 0.293 1077 G HA3 0.320 4.280 3.960 -0.000 0.000 0.293 1077 G C -2.119 172.431 174.900 -0.585 0.000 1.298 1077 G CA -0.882 43.964 45.100 -0.424 0.000 0.868 1077 G HN -0.070 nan 8.290 nan 0.000 0.540 1078 W N -1.257 120.173 121.300 0.217 0.000 3.075 1078 W HA 0.632 5.292 4.660 -0.000 0.000 0.334 1078 W C -1.182 175.299 176.519 -0.063 0.000 1.243 1078 W CA -0.726 56.511 57.345 -0.180 0.000 1.170 1078 W CB 2.202 31.435 29.460 -0.379 0.000 1.452 1078 W HN 1.046 nan 8.180 nan 0.000 0.572 1079 W N 0.442 121.517 121.300 -0.374 0.000 3.074 1079 W HA 0.778 5.438 4.660 -0.000 0.000 0.332 1079 W C -2.338 173.990 176.519 -0.318 0.000 1.253 1079 W CA -1.715 55.523 57.345 -0.179 0.000 1.180 1079 W CB 0.905 30.201 29.460 -0.273 0.000 1.445 1079 W HN 0.331 nan 8.180 nan 0.000 0.573 1080 W N 2.755 124.196 121.300 0.234 0.000 3.138 1080 W HA 0.339 4.999 4.660 0.000 0.000 0.331 1080 W C -0.508 175.952 176.519 -0.098 0.000 1.166 1080 W CA -1.133 56.175 57.345 -0.062 0.000 1.212 1080 W CB 2.690 32.052 29.460 -0.163 0.000 1.399 1080 W HN 0.077 nan 8.180 nan 0.000 0.514 1081 K N 1.628 121.966 120.400 -0.104 0.000 2.118 1081 K HA 0.373 4.693 4.320 -0.000 0.000 0.264 1081 K C 0.173 176.421 176.600 -0.587 0.000 1.000 1081 K CA -0.424 55.672 56.287 -0.318 0.000 0.929 1081 K CB 1.228 33.326 32.500 -0.671 0.000 1.021 1081 K HN 0.331 nan 8.250 nan 0.000 0.463 1082 F N 2.684 122.353 119.950 -0.469 0.000 2.389 1082 F HA 0.044 4.571 4.527 -0.000 0.000 0.275 1082 F C -0.690 174.914 175.800 -0.326 0.000 1.009 1082 F CA 0.555 58.201 58.000 -0.590 0.000 1.187 1082 F CB -0.540 37.641 39.000 -1.366 0.000 1.139 1082 F HN 0.478 nan 8.300 nan 0.000 0.613 1083 P HA -0.252 nan 4.420 nan 0.000 0.218 1083 P C -0.075 177.245 177.300 0.034 0.000 1.154 1083 P CA 1.699 64.890 63.100 0.152 0.000 0.872 1083 P CB -0.525 31.280 31.700 0.176 0.000 0.790 1084 D N -1.306 119.084 120.400 -0.017 0.000 2.425 1084 D HA 0.328 4.968 4.640 -0.000 0.000 0.247 1084 D C 0.866 177.056 176.300 -0.184 0.000 1.147 1084 D CA 0.822 54.804 54.000 -0.030 0.000 0.879 1084 D CB 0.174 41.045 40.800 0.118 0.000 1.179 1084 D HN 0.277 nan 8.370 nan 0.000 0.456 1085 A N 2.830 125.570 122.820 -0.134 0.000 3.515 1085 A HA -0.137 4.183 4.320 -0.000 0.000 0.199 1085 A C 0.993 178.492 177.584 -0.142 0.000 0.783 1085 A CA 0.299 52.196 52.037 -0.233 0.000 2.179 1085 A CB -1.623 16.974 19.000 -0.673 0.000 0.552 1085 A HN 0.509 nan 8.150 nan 0.000 0.611 1086 L N 0.557 121.749 121.223 -0.051 0.000 2.858 1086 L HA 0.148 4.488 4.340 -0.000 0.000 0.251 1086 L C 1.941 178.898 176.870 0.145 0.000 1.149 1086 L CA 0.716 55.581 54.840 0.041 0.000 0.955 1086 L CB 0.178 42.296 42.059 0.098 0.000 1.289 1086 L HN 0.636 nan 8.230 nan 0.000 0.542 1087 K N -1.040 119.425 120.400 0.109 0.000 2.442 1087 K HA -0.121 4.199 4.320 -0.000 0.000 0.199 1087 K C 0.257 177.014 176.600 0.261 0.000 1.044 1087 K CA 1.211 57.584 56.287 0.144 0.000 0.941 1087 K CB 0.036 32.620 32.500 0.139 0.000 0.759 1087 K HN 0.167 nan 8.250 nan 0.000 0.472 1088 D N 0.309 120.808 120.400 0.165 0.000 2.479 1088 D HA 0.109 4.749 4.640 -0.000 0.000 0.218 1088 D C -0.336 176.004 176.300 0.066 0.000 1.177 1088 D CA 0.001 54.086 54.000 0.141 0.000 0.830 1088 D CB 0.444 41.314 40.800 0.117 0.000 1.014 1088 D HN 0.138 nan 8.370 nan 0.000 0.503 1089 M N 1.091 120.684 119.600 -0.013 0.000 2.201 1089 M HA 0.268 4.748 4.480 -0.000 0.000 0.345 1089 M C 1.425 177.651 176.300 -0.123 0.000 1.352 1089 M CA -0.105 55.069 55.300 -0.210 0.000 1.218 1089 M CB 0.002 32.163 32.600 -0.731 0.000 1.512 1089 M HN 0.078 nan 8.290 nan 0.000 0.447 1090 G N 3.658 112.514 108.800 0.094 0.000 2.660 1090 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.338 1090 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.338 1090 G C 0.847 175.861 174.900 0.191 0.000 1.336 1090 G CA 0.409 45.629 45.100 0.200 0.000 0.990 1090 G HN 0.680 nan 8.290 nan 0.000 0.537 1091 L N -0.196 121.176 121.223 0.249 0.000 2.395 1091 L HA 0.193 4.533 4.340 -0.000 0.000 0.218 1091 L C 2.514 179.504 176.870 0.201 0.000 1.130 1091 L CA 0.889 55.845 54.840 0.193 0.000 0.826 1091 L CB -0.290 41.871 42.059 0.169 0.000 0.941 1091 L HN 0.460 nan 8.230 nan 0.000 0.451 1092 F N 0.811 120.849 119.950 0.147 0.000 2.146 1092 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 1092 F C 2.170 178.026 175.800 0.093 0.000 1.096 1092 F CA 1.526 59.615 58.000 0.148 0.000 1.275 1092 F CB -0.414 38.645 39.000 0.100 0.000 1.008 1092 F HN -0.018 nan 8.300 nan 0.000 0.480 1093 G N -0.433 108.438 108.800 0.119 0.000 2.394 1093 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.215 1093 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.215 1093 G C 1.478 176.497 174.900 0.198 0.000 1.165 1093 G CA 0.426 45.595 45.100 0.115 0.000 0.784 1093 G HN 0.290 nan 8.290 nan 0.000 0.535 1094 Q N 0.819 120.726 119.800 0.177 0.000 2.084 1094 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 1094 Q C 2.412 178.542 176.000 0.217 0.000 0.978 1094 Q CA 0.871 56.821 55.803 0.246 0.000 0.844 1094 Q CB -0.534 28.313 28.738 0.182 0.000 0.898 1094 Q HN 0.450 nan 8.270 nan 0.000 0.426 1095 N N 0.096 118.761 118.700 -0.059 0.000 2.223 1095 N HA -0.083 4.657 4.740 -0.000 0.000 0.185 1095 N C 1.819 177.178 175.510 -0.251 0.000 1.016 1095 N CA 0.829 53.685 53.050 -0.324 0.000 0.863 1095 N CB -0.087 37.765 38.487 -1.057 0.000 0.983 1095 N HN 0.298 nan 8.380 nan 0.000 0.429 1096 M N -0.481 118.981 119.600 -0.229 0.000 2.086 1096 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 1096 M C 1.718 178.037 176.300 0.032 0.000 1.067 1096 M CA 1.536 56.719 55.300 -0.194 0.000 1.116 1096 M CB -0.355 31.952 32.600 -0.488 0.000 1.348 1096 M HN 0.101 nan 8.290 nan 0.000 0.407 1097 Y N -1.343 119.041 120.300 0.141 0.000 2.224 1097 Y HA -0.253 4.297 4.550 -0.000 0.000 0.289 1097 Y C 1.912 177.771 175.900 -0.069 0.000 1.146 1097 Y CA 1.678 59.868 58.100 0.150 0.000 1.182 1097 Y CB -0.436 38.000 38.460 -0.040 0.000 0.983 1097 Y HN 0.188 nan 8.280 nan 0.000 0.524 1098 Y N -1.859 118.523 120.300 0.137 0.000 2.544 1098 Y HA 0.006 4.556 4.550 -0.000 0.000 0.286 1098 Y C 0.213 175.992 175.900 -0.201 0.000 1.141 1098 Y CA 0.396 58.452 58.100 -0.074 0.000 1.299 1098 Y CB -0.204 38.116 38.460 -0.235 0.000 1.030 1098 Y HN 0.088 nan 8.280 nan 0.000 0.543 1099 H N -2.991 116.194 119.070 0.190 0.000 2.569 1099 H HA 0.140 4.696 4.556 -0.000 0.000 0.357 1099 H C 0.189 175.660 175.328 0.239 0.000 1.153 1099 H CA -0.902 55.265 56.048 0.199 0.000 1.193 1099 H CB 1.009 30.883 29.762 0.186 0.000 1.602 1099 H HN -0.055 nan 8.280 nan 0.000 0.523 1100 Y N 2.001 122.443 120.300 0.236 0.000 2.243 1100 Y HA 0.186 4.736 4.550 -0.000 0.000 0.293 1100 Y C -0.476 175.518 175.900 0.156 0.000 1.124 1100 Y CA 1.043 59.240 58.100 0.163 0.000 1.159 1100 Y CB 0.199 38.733 38.460 0.122 0.000 1.008 1100 Y HN 0.368 nan 8.280 nan 0.000 0.527 1101 L N 0.512 121.708 121.223 -0.045 0.000 2.346 1101 L HA 0.717 5.057 4.340 -0.000 0.000 0.274 1101 L C 0.072 176.905 176.870 -0.061 0.000 1.007 1101 L CA -0.620 54.095 54.840 -0.209 0.000 0.818 1101 L CB 1.992 43.867 42.059 -0.306 0.000 1.284 1101 L HN 0.172 nan 8.230 nan 0.000 0.424 1102 G N 1.408 110.127 108.800 -0.135 0.000 2.690 1102 G HA2 0.732 4.692 3.960 -0.000 0.000 0.291 1102 G HA3 0.732 4.692 3.960 -0.000 0.000 0.291 1102 G C -1.989 172.695 174.900 -0.359 0.000 1.403 1102 G CA -0.578 44.368 45.100 -0.256 0.000 0.864 1102 G HN 0.525 nan 8.290 nan 0.000 0.480 1103 R N -0.166 120.018 120.500 -0.527 0.000 2.536 1103 R HA 0.663 5.003 4.340 -0.000 0.000 0.269 1103 R C -1.487 174.513 176.300 -0.500 0.000 1.113 1103 R CA -0.354 55.328 56.100 -0.696 0.000 0.948 1103 R CB 1.682 31.500 30.300 -0.804 0.000 1.237 1103 R HN 1.335 nan 8.270 nan 0.000 0.441 1104 A N 1.958 124.577 122.820 -0.334 0.000 2.608 1104 A HA 0.751 5.071 4.320 -0.000 0.000 0.292 1104 A C -1.207 176.161 177.584 -0.359 0.000 1.066 1104 A CA -0.307 51.529 52.037 -0.336 0.000 0.676 1104 A CB 1.674 20.488 19.000 -0.311 0.000 1.277 1104 A HN 0.800 nan 8.150 nan 0.000 0.413 1105 G N -1.083 107.382 108.800 -0.558 0.000 2.597 1105 G HA2 0.708 4.668 3.960 -0.000 0.000 0.317 1105 G HA3 0.708 4.668 3.960 -0.000 0.000 0.317 1105 G C -1.490 172.906 174.900 -0.841 0.000 1.230 1105 G CA -0.582 44.231 45.100 -0.479 0.000 0.996 1105 G HN 0.691 nan 8.290 nan 0.000 0.490 1106 Y N -1.753 118.441 120.300 -0.177 0.000 2.571 1106 Y HA 0.513 5.063 4.550 -0.000 0.000 0.341 1106 Y C 0.063 175.820 175.900 -0.239 0.000 1.076 1106 Y CA -0.833 57.150 58.100 -0.195 0.000 1.029 1106 Y CB 2.461 40.825 38.460 -0.160 0.000 1.308 1106 Y HN 0.445 nan 8.280 nan 0.000 0.461 1107 T N 3.915 118.460 114.554 -0.015 0.000 2.770 1107 T HA 0.602 4.952 4.350 -0.000 0.000 0.283 1107 T C -0.543 174.207 174.700 0.084 0.000 0.988 1107 T CA -0.403 61.693 62.100 -0.007 0.000 0.957 1107 T CB 0.085 68.984 68.868 0.053 0.000 0.930 1107 T HN 0.341 nan 8.240 nan 0.000 0.443 1108 I N 3.520 124.090 120.570 0.001 0.000 2.354 1108 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 1108 I C 0.090 176.234 176.117 0.045 0.000 0.989 1108 I CA -0.742 60.540 61.300 -0.031 0.000 1.188 1108 I CB 1.212 39.116 38.000 -0.161 0.000 1.342 1108 I HN 0.565 nan 8.210 nan 0.000 0.457 1109 H N 6.716 125.737 119.070 -0.081 0.000 2.887 1109 H HA 0.392 4.948 4.556 -0.000 0.000 0.300 1109 H C -1.579 173.666 175.328 -0.139 0.000 1.038 1109 H CA -0.559 55.418 56.048 -0.119 0.000 1.352 1109 H CB 1.551 31.201 29.762 -0.187 0.000 1.473 1109 H HN 0.279 nan 8.280 nan 0.000 0.503 1110 V N 5.912 125.599 119.914 -0.379 0.000 2.461 1110 V HA 0.123 4.243 4.120 -0.000 0.000 0.275 1110 V C -0.150 175.679 176.094 -0.442 0.000 1.047 1110 V CA -0.257 61.839 62.300 -0.340 0.000 0.955 1110 V CB 1.423 33.118 31.823 -0.213 0.000 0.988 1110 V HN 0.744 nan 8.190 nan 0.000 0.471 1111 Q N 3.456 123.047 119.800 -0.348 0.000 2.316 1111 Q HA 0.665 5.005 4.340 -0.000 0.000 0.264 1111 Q C -0.781 175.133 176.000 -0.144 0.000 0.987 1111 Q CA -0.317 55.324 55.803 -0.270 0.000 0.852 1111 Q CB 2.233 30.840 28.738 -0.217 0.000 1.287 1111 Q HN 0.739 nan 8.270 nan 0.000 0.448 1112 C N 4.317 123.566 119.300 -0.085 0.000 2.982 1112 C HA 0.398 4.858 4.460 -0.000 0.000 0.372 1112 C C -1.531 173.464 174.990 0.009 0.000 1.061 1112 C CA -0.670 58.338 59.018 -0.016 0.000 1.309 1112 C CB -0.034 27.740 27.740 0.057 0.000 1.766 1112 C HN 1.014 nan 8.230 nan 0.000 0.504 1113 N N 4.260 122.945 118.700 -0.026 0.000 2.417 1113 N HA 0.819 5.559 4.740 -0.000 0.000 0.300 1113 N C -0.166 175.290 175.510 -0.091 0.000 1.102 1113 N CA -0.162 52.868 53.050 -0.033 0.000 0.886 1113 N CB 2.441 40.908 38.487 -0.034 0.000 1.203 1113 N HN 0.746 nan 8.380 nan 0.000 0.496 1114 A N 1.085 123.838 122.820 -0.113 0.000 3.785 1114 A HA 0.740 5.060 4.320 -0.000 0.000 0.171 1114 A C -0.580 176.895 177.584 -0.181 0.000 0.708 1114 A CA 0.057 51.914 52.037 -0.300 0.000 0.959 1114 A CB 0.255 19.059 19.000 -0.327 0.000 1.828 1114 A HN 0.922 nan 8.150 nan 0.000 0.804 1115 S N -1.485 114.188 115.700 -0.045 0.000 2.638 1115 S HA 0.460 4.930 4.470 -0.000 0.000 0.274 1115 S C -0.231 174.528 174.600 0.265 0.000 1.157 1115 S CA -0.462 57.846 58.200 0.181 0.000 0.826 1115 S CB 1.432 64.821 63.200 0.315 0.000 1.139 1115 S HN 0.427 nan 8.310 nan 0.000 0.474 1116 K N 0.226 120.788 120.400 0.269 0.000 2.519 1116 K HA 0.040 4.360 4.320 -0.000 0.000 0.196 1116 K C 0.062 176.706 176.600 0.073 0.000 1.041 1116 K CA 1.031 57.409 56.287 0.152 0.000 0.954 1116 K CB -0.592 31.965 32.500 0.096 0.000 0.774 1116 K HN 0.666 nan 8.250 nan 0.000 0.480 1117 F N -0.568 119.418 119.950 0.061 0.000 2.653 1117 F HA 0.179 4.706 4.527 -0.000 0.000 0.304 1117 F C 0.590 176.345 175.800 -0.075 0.000 1.092 1117 F CA -0.564 57.423 58.000 -0.021 0.000 1.279 1117 F CB -0.122 38.823 39.000 -0.092 0.000 1.044 1117 F HN -0.049 nan 8.300 nan 0.000 0.564 1118 H N 0.197 119.350 119.070 0.138 0.000 2.559 1118 H HA 0.611 5.167 4.556 -0.000 0.000 0.343 1118 H C -0.125 175.223 175.328 0.033 0.000 1.209 1118 H CA -0.641 55.460 56.048 0.088 0.000 1.287 1118 H CB 1.100 30.886 29.762 0.041 0.000 1.650 1118 H HN 0.097 nan 8.280 nan 0.000 0.567 1119 Q N 0.250 120.129 119.800 0.131 0.000 2.435 1119 Q HA 0.691 5.031 4.340 -0.000 0.000 0.282 1119 Q C -1.134 174.887 176.000 0.035 0.000 1.020 1119 Q CA -1.297 54.547 55.803 0.069 0.000 0.820 1119 Q CB 3.057 31.814 28.738 0.031 0.000 1.436 1119 Q HN 0.901 nan 8.270 nan 0.000 0.395 1120 G N -0.440 108.425 108.800 0.108 0.000 2.347 1120 G HA2 0.394 4.354 3.960 -0.000 0.000 0.303 1120 G HA3 0.394 4.354 3.960 -0.000 0.000 0.303 1120 G C -1.985 173.161 174.900 0.411 0.000 1.481 1120 G CA -0.217 45.018 45.100 0.225 0.000 0.914 1120 G HN 0.893 nan 8.290 nan 0.000 0.638 1121 C N 1.239 120.864 119.300 0.543 0.000 2.607 1121 C HA 0.746 5.206 4.460 -0.000 0.000 0.350 1121 C C -0.443 174.850 174.990 0.505 0.000 1.101 1121 C CA -0.621 58.675 59.018 0.462 0.000 1.282 1121 C CB -0.257 27.656 27.740 0.288 0.000 1.825 1121 C HN 0.755 nan 8.230 nan 0.000 0.460 1122 L N 5.543 127.003 121.223 0.394 0.000 2.309 1122 L HA 0.593 4.933 4.340 -0.000 0.000 0.282 1122 L C -0.247 176.790 176.870 0.278 0.000 1.036 1122 L CA -0.712 54.272 54.840 0.240 0.000 0.806 1122 L CB 1.509 43.555 42.059 -0.022 0.000 1.220 1122 L HN 0.529 nan 8.230 nan 0.000 0.429 1123 L N 4.337 125.642 121.223 0.136 0.000 2.289 1123 L HA 0.518 4.858 4.340 -0.000 0.000 0.285 1123 L C -0.663 176.105 176.870 -0.169 0.000 1.049 1123 L CA -0.036 54.556 54.840 -0.414 0.000 0.804 1123 L CB 1.574 43.228 42.059 -0.676 0.000 1.195 1123 L HN 0.272 nan 8.230 nan 0.000 0.428 1124 V N 6.326 126.115 119.914 -0.207 0.000 2.350 1124 V HA 0.586 4.706 4.120 -0.000 0.000 0.285 1124 V C -0.465 175.597 176.094 -0.054 0.000 1.014 1124 V CA -0.506 61.757 62.300 -0.062 0.000 0.831 1124 V CB 1.509 33.298 31.823 -0.057 0.000 1.000 1124 V HN 0.655 nan 8.190 nan 0.000 0.433 1125 V N 1.760 121.685 119.914 0.018 0.000 2.823 1125 V HA 0.603 4.723 4.120 -0.000 0.000 0.312 1125 V C -0.341 175.795 176.094 0.069 0.000 1.072 1125 V CA -0.727 61.598 62.300 0.041 0.000 0.937 1125 V CB 1.831 33.685 31.823 0.052 0.000 1.013 1125 V HN 0.765 nan 8.190 nan 0.000 0.430 1126 C N 3.188 122.497 119.300 0.014 0.000 2.271 1126 C HA 0.657 5.117 4.460 -0.000 0.000 0.323 1126 C C 0.262 175.193 174.990 -0.097 0.000 1.245 1126 C CA -0.542 58.477 59.018 0.002 0.000 1.548 1126 C CB 0.445 28.040 27.740 -0.243 0.000 2.214 1126 C HN 0.703 nan 8.230 nan 0.000 0.477 1127 V N 6.529 126.368 119.914 -0.125 0.000 2.333 1127 V HA 0.281 4.401 4.120 -0.000 0.000 0.274 1127 V C -2.224 173.706 176.094 -0.273 0.000 1.028 1127 V CA -1.444 60.510 62.300 -0.576 0.000 0.851 1127 V CB 0.998 32.474 31.823 -0.578 0.000 1.000 1127 V HN 0.673 nan 8.190 nan 0.000 0.456 1128 P HA 0.232 nan 4.420 nan 0.000 0.276 1128 P C 0.075 177.350 177.300 -0.042 0.000 1.230 1128 P CA 0.034 63.122 63.100 -0.020 0.000 0.776 1128 P CB 0.400 32.110 31.700 0.016 0.000 0.888 1129 E N 1.635 121.861 120.200 0.043 0.000 2.246 1129 E HA -0.208 4.142 4.350 -0.000 0.000 0.211 1129 E C -0.496 176.112 176.600 0.014 0.000 1.278 1129 E CA 0.637 57.078 56.400 0.068 0.000 0.694 1129 E CB -1.657 28.089 29.700 0.077 0.000 1.166 1129 E HN 0.472 nan 8.360 nan 0.000 0.370 1130 A N 2.434 125.245 122.820 -0.015 0.000 3.091 1130 A HA 0.217 4.537 4.320 -0.000 0.000 0.264 1130 A C 0.424 177.982 177.584 -0.044 0.000 1.673 1130 A CA 0.105 52.101 52.037 -0.068 0.000 1.362 1130 A CB -0.084 18.838 19.000 -0.130 0.000 1.137 1130 A HN 0.369 nan 8.150 nan 0.000 0.617 1131 E N 1.542 121.740 120.200 -0.004 0.000 2.417 1131 E HA 0.251 4.601 4.350 -0.000 0.000 0.261 1131 E C -0.156 176.426 176.600 -0.030 0.000 1.000 1131 E CA 0.311 56.714 56.400 0.005 0.000 0.919 1131 E CB 0.319 30.030 29.700 0.018 0.000 0.955 1131 E HN 0.640 nan 8.360 nan 0.000 0.455 1132 M N 2.575 122.151 119.600 -0.041 0.000 2.537 1132 M HA 0.404 4.884 4.480 -0.000 0.000 0.324 1132 M C 0.359 176.644 176.300 -0.025 0.000 1.187 1132 M CA -0.657 54.601 55.300 -0.070 0.000 0.993 1132 M CB 2.056 34.569 32.600 -0.144 0.000 1.666 1132 M HN 0.555 nan 8.290 nan 0.000 0.461 1133 G N 0.159 108.946 108.800 -0.023 0.000 2.451 1133 G HA2 0.446 4.406 3.960 -0.000 0.000 0.303 1133 G HA3 0.446 4.406 3.960 -0.000 0.000 0.303 1133 G C -1.192 173.716 174.900 0.013 0.000 1.166 1133 G CA -0.439 44.661 45.100 0.000 0.000 0.884 1133 G HN 0.822 nan 8.290 nan 0.000 0.514 1134 C N 0.333 119.646 119.300 0.020 0.000 2.459 1134 C HA 0.504 4.964 4.460 -0.000 0.000 0.374 1134 C C 2.147 177.154 174.990 0.028 0.000 1.241 1134 C CA -0.245 58.790 59.018 0.029 0.000 2.352 1134 C CB 0.978 28.734 27.740 0.027 0.000 2.490 1134 C HN 0.767 nan 8.230 nan 0.000 0.583 1135 S N 1.413 117.134 115.700 0.035 0.000 2.371 1135 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 1135 S C 0.845 175.459 174.600 0.024 0.000 1.029 1135 S CA 1.108 59.328 58.200 0.033 0.000 0.978 1135 S CB -0.162 63.060 63.200 0.037 0.000 0.833 1135 S HN 0.908 nan 8.310 nan 0.000 0.466 1136 T N 2.560 117.128 114.554 0.024 0.000 2.739 1136 T HA 0.217 4.567 4.350 -0.000 0.000 0.298 1136 T C 1.252 175.962 174.700 0.017 0.000 0.929 1136 T CA -0.112 61.999 62.100 0.018 0.000 1.014 1136 T CB 1.204 70.083 68.868 0.018 0.000 0.914 1136 T HN -0.060 nan 8.240 nan 0.000 0.509 1137 V N 2.969 122.891 119.914 0.014 0.000 2.453 1137 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 1137 V C 1.902 178.003 176.094 0.012 0.000 1.068 1137 V CA 2.094 64.402 62.300 0.013 0.000 1.070 1137 V CB -0.257 31.572 31.823 0.010 0.000 0.664 1137 V HN 0.911 nan 8.190 nan 0.000 0.461 1138 D N -1.350 119.056 120.400 0.011 0.000 2.463 1138 D HA 0.263 4.903 4.640 -0.000 0.000 0.224 1138 D C 0.577 176.883 176.300 0.011 0.000 1.174 1138 D CA 0.458 54.464 54.000 0.010 0.000 0.829 1138 D CB 0.106 40.911 40.800 0.008 0.000 0.993 1138 D HN 0.331 nan 8.370 nan 0.000 0.497 1139 G N -0.288 108.520 108.800 0.014 0.000 2.887 1139 G HA2 0.648 4.608 3.960 -0.000 0.000 0.277 1139 G HA3 0.648 4.608 3.960 -0.000 0.000 0.277 1139 G C -0.521 174.390 174.900 0.018 0.000 1.346 1139 G CA -0.492 44.617 45.100 0.015 0.000 1.058 1139 G HN 0.238 nan 8.290 nan 0.000 0.535 1140 T N -2.736 111.830 114.554 0.021 0.000 2.906 1140 T HA 0.629 4.979 4.350 -0.000 0.000 0.295 1140 T C 0.242 174.962 174.700 0.033 0.000 1.075 1140 T CA -0.162 61.953 62.100 0.025 0.000 1.005 1140 T CB 1.190 70.071 68.868 0.022 0.000 1.136 1140 T HN 1.286 nan 8.240 nan 0.000 0.498 1141 V N 0.556 120.495 119.914 0.040 0.000 3.385 1141 V HA 0.614 4.734 4.120 -0.000 0.000 0.301 1141 V C 0.108 176.239 176.094 0.060 0.000 1.082 1141 V CA -0.785 61.548 62.300 0.054 0.000 1.085 1141 V CB 0.345 32.205 31.823 0.063 0.000 1.152 1141 V HN 0.948 nan 8.190 nan 0.000 0.465 1142 N N -0.485 118.262 118.700 0.078 0.000 2.404 1142 N HA 0.340 5.080 4.740 -0.000 0.000 0.297 1142 N C 0.550 176.126 175.510 0.111 0.000 1.163 1142 N CA -0.343 52.762 53.050 0.092 0.000 0.864 1142 N CB 1.811 40.370 38.487 0.120 0.000 1.247 1142 N HN 0.933 nan 8.380 nan 0.000 0.510 1143 E N 0.091 120.362 120.200 0.119 0.000 2.152 1143 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 1143 E C 1.315 177.988 176.600 0.121 0.000 0.983 1143 E CA 1.558 58.040 56.400 0.136 0.000 0.818 1143 E CB -0.226 29.554 29.700 0.135 0.000 0.758 1143 E HN 0.711 nan 8.360 nan 0.000 0.467 1144 H N -0.888 118.202 119.070 0.033 0.000 2.387 1144 H HA 0.033 4.589 4.556 -0.000 0.000 0.299 1144 H C 1.804 177.128 175.328 -0.008 0.000 1.090 1144 H CA 2.042 58.091 56.048 0.002 0.000 1.332 1144 H CB -0.364 29.394 29.762 -0.007 0.000 1.386 1144 H HN 0.256 nan 8.280 nan 0.000 0.516 1145 G N -0.357 108.490 108.800 0.078 0.000 2.509 1145 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.218 1145 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.218 1145 G C 1.483 176.419 174.900 0.060 0.000 1.124 1145 G CA 0.633 45.756 45.100 0.038 0.000 0.776 1145 G HN 0.403 nan 8.290 nan 0.000 0.547 1146 L N -0.708 120.553 121.223 0.063 0.000 2.221 1146 L HA 0.270 4.610 4.340 -0.000 0.000 0.202 1146 L C 1.161 178.073 176.870 0.069 0.000 1.074 1146 L CA 0.605 55.525 54.840 0.134 0.000 0.795 1146 L CB 0.264 42.394 42.059 0.118 0.000 0.960 1146 L HN 0.271 nan 8.230 nan 0.000 0.458 1147 S N -0.965 114.668 115.700 -0.113 0.000 2.537 1147 S HA 0.283 4.753 4.470 -0.000 0.000 0.271 1147 S C -0.790 173.652 174.600 -0.264 0.000 1.148 1147 S CA -0.641 57.424 58.200 -0.224 0.000 0.868 1147 S CB 1.626 64.680 63.200 -0.242 0.000 1.115 1147 S HN 0.217 nan 8.310 nan 0.000 0.461 1148 E N 2.195 122.211 120.200 -0.306 0.000 2.869 1148 E HA 0.374 4.724 4.350 -0.000 0.000 0.207 1148 E C 0.980 177.507 176.600 -0.122 0.000 0.986 1148 E CA 0.069 56.332 56.400 -0.229 0.000 1.131 1148 E CB 0.652 30.173 29.700 -0.298 0.000 1.098 1148 E HN 1.058 nan 8.360 nan 0.000 0.459 1149 G N 2.034 110.775 108.800 -0.099 0.000 2.609 1149 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.288 1149 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.288 1149 G C 0.496 175.395 174.900 -0.001 0.000 1.211 1149 G CA 0.521 45.596 45.100 -0.043 0.000 0.963 1149 G HN 0.373 nan 8.290 nan 0.000 0.541 1150 E N 0.571 120.797 120.200 0.044 0.000 4.019 1150 E HA 0.402 4.752 4.350 -0.000 0.000 0.547 1150 E C 1.820 178.512 176.600 0.153 0.000 0.480 1150 E CA 0.951 57.436 56.400 0.141 0.000 3.361 1150 E CB -0.312 29.448 29.700 0.100 0.000 2.299 1150 E HN 1.744 nan 8.360 nan 0.000 0.456 1151 T N -1.174 113.468 114.554 0.146 0.000 13.957 1151 T HA -0.310 4.040 4.350 -0.000 0.000 0.419 1151 T C 0.064 174.651 174.700 -0.187 0.000 1.441 1151 T CA 0.859 62.964 62.100 0.009 0.000 2.339 1151 T CB -1.709 67.103 68.868 -0.094 0.000 2.770 1151 T HN 1.797 nan 8.240 nan 0.000 0.371 1152 A N -0.085 122.411 122.820 -0.541 0.000 1.923 1152 A HA 0.474 4.794 4.320 -0.000 0.000 0.322 1152 A C -0.582 176.453 177.584 -0.916 0.000 0.702 1152 A CA -0.097 51.250 52.037 -1.149 0.000 0.530 1152 A CB -0.043 17.992 19.000 -1.608 0.000 1.493 1152 A HN 0.929 nan 8.150 nan 0.000 0.353 1153 K N 1.280 120.914 120.400 -1.278 0.000 2.126 1153 K HA 0.502 4.822 4.320 -0.000 0.000 0.257 1153 K C -0.273 175.600 176.600 -1.210 0.000 1.007 1153 K CA -0.217 55.230 56.287 -1.400 0.000 0.928 1153 K CB 1.058 32.172 32.500 -2.311 0.000 1.013 1153 K HN 0.627 nan 8.250 nan 0.000 0.473 1154 K N 1.439 121.317 120.400 -0.869 0.000 2.221 1154 K HA 0.326 4.646 4.320 -0.000 0.000 0.258 1154 K C -0.366 176.002 176.600 -0.387 0.000 0.944 1154 K CA -0.659 55.279 56.287 -0.582 0.000 0.823 1154 K CB 0.868 33.139 32.500 -0.381 0.000 1.113 1154 K HN 0.218 nan 8.250 nan 0.000 0.431 1155 F N 0.559 120.413 119.950 -0.161 0.000 2.390 1155 F HA 0.206 4.733 4.527 -0.000 0.000 0.307 1155 F C 1.172 176.916 175.800 -0.094 0.000 1.227 1155 F CA 0.179 58.196 58.000 0.027 0.000 1.179 1155 F CB 1.184 40.184 39.000 0.001 0.000 1.280 1155 F HN 0.393 nan 8.300 nan 0.000 0.548 1156 S N -0.553 115.273 115.700 0.210 0.000 2.599 1156 S HA 0.685 5.155 4.470 -0.000 0.000 0.287 1156 S C 0.192 174.805 174.600 0.021 0.000 1.105 1156 S CA -0.181 58.056 58.200 0.061 0.000 0.899 1156 S CB 1.560 64.795 63.200 0.058 0.000 1.100 1156 S HN 0.734 nan 8.310 nan 0.000 0.482 1157 A N 1.959 124.771 122.820 -0.013 0.000 2.169 1157 A HA 0.345 4.665 4.320 -0.000 0.000 0.212 1157 A C 0.893 178.464 177.584 -0.021 0.000 1.153 1157 A CA 1.024 53.043 52.037 -0.031 0.000 0.756 1157 A CB -0.669 18.311 19.000 -0.032 0.000 0.813 1157 A HN 0.927 nan 8.150 nan 0.000 0.471 1158 T N -3.116 111.435 114.554 -0.005 0.000 2.888 1158 T HA 0.596 4.946 4.350 -0.000 0.000 0.288 1158 T C 0.425 175.131 174.700 0.009 0.000 1.063 1158 T CA -0.245 61.853 62.100 -0.002 0.000 1.010 1158 T CB 1.132 69.999 68.868 -0.001 0.000 1.214 1158 T HN 0.415 nan 8.240 nan 0.000 0.533 1159 G N 1.147 109.952 108.800 0.008 0.000 2.432 1159 G HA2 0.462 4.422 3.960 -0.000 0.000 0.239 1159 G HA3 0.462 4.422 3.960 -0.000 0.000 0.239 1159 G C 0.204 175.116 174.900 0.021 0.000 1.291 1159 G CA -0.252 44.858 45.100 0.015 0.000 0.863 1159 G HN 0.969 nan 8.290 nan 0.000 0.560 1160 T N -0.152 114.420 114.554 0.030 0.000 2.952 1160 T HA 0.628 4.978 4.350 -0.000 0.000 0.286 1160 T C -0.082 174.634 174.700 0.027 0.000 1.024 1160 T CA -1.113 61.005 62.100 0.030 0.000 1.029 1160 T CB 1.978 70.872 68.868 0.044 0.000 1.094 1160 T HN 0.519 nan 8.240 nan 0.000 0.515 1161 N N -0.678 118.036 118.700 0.023 0.000 2.701 1161 N HA 0.735 5.475 4.740 -0.000 0.000 0.290 1161 N C -0.276 175.247 175.510 0.023 0.000 1.338 1161 N CA -0.566 52.496 53.050 0.021 0.000 0.799 1161 N CB 1.817 40.313 38.487 0.015 0.000 1.491 1161 N HN 1.323 nan 8.380 nan 0.000 0.540 1162 G N 0.114 108.926 108.800 0.020 0.000 2.742 1162 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.686 1162 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.686 1162 G C -0.721 174.194 174.900 0.025 0.000 1.220 1162 G CA -0.834 44.279 45.100 0.021 0.000 0.783 1162 G HN 0.622 nan 8.290 nan 0.000 0.646 1163 T N 0.760 115.328 114.554 0.022 0.000 2.910 1163 T HA 0.575 4.925 4.350 -0.000 0.000 0.293 1163 T C 1.140 175.860 174.700 0.033 0.000 1.015 1163 T CA 0.331 62.445 62.100 0.024 0.000 1.094 1163 T CB 1.427 70.305 68.868 0.017 0.000 0.968 1163 T HN 1.621 nan 8.240 nan 0.000 0.521 1164 N N -1.446 117.278 118.700 0.039 0.000 2.924 1164 N HA -0.192 4.548 4.740 -0.000 0.000 0.210 1164 N C 0.406 175.958 175.510 0.069 0.000 0.902 1164 N CA 2.035 55.117 53.050 0.053 0.000 1.061 1164 N CB -2.128 36.392 38.487 0.055 0.000 0.985 1164 N HN 0.954 nan 8.380 nan 0.000 0.600 1165 T N -0.542 114.052 114.554 0.066 0.000 2.904 1165 T HA 0.604 4.954 4.350 -0.000 0.000 0.290 1165 T C 0.708 175.457 174.700 0.082 0.000 1.018 1165 T CA -0.704 61.442 62.100 0.077 0.000 1.075 1165 T CB 2.209 71.117 68.868 0.065 0.000 0.986 1165 T HN 0.039 nan 8.240 nan 0.000 0.523 1166 V N 2.814 122.798 119.914 0.116 0.000 2.614 1166 V HA 0.148 4.268 4.120 -0.000 0.000 0.291 1166 V C 0.774 176.931 176.094 0.104 0.000 1.049 1166 V CA -0.421 61.946 62.300 0.111 0.000 1.038 1166 V CB 0.966 32.884 31.823 0.157 0.000 0.980 1166 V HN 0.971 nan 8.190 nan 0.000 0.481 1167 Q N 4.006 123.846 119.800 0.067 0.000 2.388 1167 Q HA 0.032 4.372 4.340 -0.000 0.000 0.246 1167 Q C 0.656 176.714 176.000 0.097 0.000 1.246 1167 Q CA 0.371 56.213 55.803 0.064 0.000 0.895 1167 Q CB 0.093 28.854 28.738 0.039 0.000 1.510 1167 Q HN 0.840 nan 8.270 nan 0.000 0.503 1168 S N 3.728 119.516 115.700 0.148 0.000 2.596 1168 S HA 0.213 4.683 4.470 -0.000 0.000 0.248 1168 S C 0.515 175.267 174.600 0.252 0.000 1.162 1168 S CA -0.733 57.626 58.200 0.264 0.000 1.185 1168 S CB -0.456 62.957 63.200 0.354 0.000 0.833 1168 S HN 0.728 nan 8.310 nan 0.000 0.472 1169 I N 2.360 123.001 120.570 0.118 0.000 2.436 1169 I HA 0.068 4.238 4.170 -0.000 0.000 0.289 1169 I C 1.478 177.574 176.117 -0.035 0.000 1.083 1169 I CA -0.517 60.809 61.300 0.043 0.000 1.372 1169 I CB 0.911 38.915 38.000 0.007 0.000 1.408 1169 I HN 0.228 nan 8.210 nan 0.000 0.516 1170 V N 3.851 123.688 119.914 -0.130 0.000 2.311 1170 V HA -0.325 3.795 4.120 -0.000 0.000 0.256 1170 V C 2.143 178.017 176.094 -0.366 0.000 1.077 1170 V CA 2.597 64.626 62.300 -0.453 0.000 1.067 1170 V CB -2.032 29.517 31.823 -0.457 0.000 0.659 1170 V HN 0.948 nan 8.190 nan 0.000 0.451 1171 T N 0.369 114.787 114.554 -0.227 0.000 2.751 1171 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 1171 T C 1.374 175.998 174.700 -0.127 0.000 1.045 1171 T CA 2.192 64.189 62.100 -0.171 0.000 1.142 1171 T CB -0.465 68.333 68.868 -0.116 0.000 0.851 1171 T HN 0.671 nan 8.240 nan 0.000 0.474 1172 N N -0.344 118.291 118.700 -0.108 0.000 2.200 1172 N HA 0.417 5.157 4.740 -0.000 0.000 0.224 1172 N C 0.823 176.296 175.510 -0.062 0.000 1.179 1172 N CA 0.660 53.672 53.050 -0.062 0.000 0.877 1172 N CB 0.631 39.101 38.487 -0.029 0.000 1.072 1172 N HN 0.330 nan 8.380 nan 0.000 0.519 1173 A N 0.433 123.166 122.820 -0.144 0.000 2.765 1173 A HA -0.191 4.129 4.320 -0.000 0.000 0.286 1173 A C 1.547 179.169 177.584 0.064 0.000 1.457 1173 A CA 1.624 53.587 52.037 -0.123 0.000 0.899 1173 A CB -2.031 16.923 19.000 -0.077 0.000 0.983 1173 A HN 0.788 nan 8.150 nan 0.000 0.584 1174 G N -3.375 105.458 108.800 0.056 0.000 2.175 1174 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.265 1174 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.265 1174 G C 0.519 175.388 174.900 -0.051 0.000 0.979 1174 G CA 1.255 46.345 45.100 -0.017 0.000 0.663 1174 G HN 1.252 nan 8.290 nan 0.000 0.533 1175 M N -0.752 118.835 119.600 -0.022 0.000 2.300 1175 M HA 0.393 4.873 4.480 -0.000 0.000 0.313 1175 M C 1.609 177.913 176.300 0.007 0.000 0.988 1175 M CA 0.698 55.992 55.300 -0.010 0.000 1.012 1175 M CB 1.140 33.744 32.600 0.007 0.000 1.586 1175 M HN 1.122 nan 8.290 nan 0.000 0.562 1176 G N 2.049 110.852 108.800 0.004 0.000 2.149 1176 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.235 1176 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.235 1176 G C -0.145 174.762 174.900 0.011 0.000 1.018 1176 G CA 0.210 45.314 45.100 0.006 0.000 0.728 1176 G HN 0.489 nan 8.290 nan 0.000 0.508 1177 V N -3.351 116.570 119.914 0.013 0.000 3.145 1177 V HA 1.018 5.138 4.120 -0.000 0.000 0.311 1177 V C 0.849 176.946 176.094 0.007 0.000 1.238 1177 V CA -0.631 61.679 62.300 0.017 0.000 1.066 1177 V CB 1.441 33.288 31.823 0.040 0.000 1.144 1177 V HN 1.337 nan 8.190 nan 0.000 0.465 1178 G N -0.556 108.251 108.800 0.012 0.000 2.338 1178 G HA2 0.429 4.389 3.960 -0.000 0.000 0.295 1178 G HA3 0.429 4.389 3.960 -0.000 0.000 0.295 1178 G C 0.575 175.491 174.900 0.028 0.000 1.132 1178 G CA 0.305 45.412 45.100 0.011 0.000 0.922 1178 G HN 1.155 nan 8.290 nan 0.000 0.427 1179 V N 3.619 123.537 119.914 0.006 0.000 2.380 1179 V HA -0.141 3.979 4.120 -0.000 0.000 0.251 1179 V C 2.516 178.722 176.094 0.187 0.000 1.063 1179 V CA 2.852 65.172 62.300 0.033 0.000 1.055 1179 V CB -0.529 31.234 31.823 -0.101 0.000 0.657 1179 V HN 0.727 nan 8.190 nan 0.000 0.455 1180 G N -0.591 108.337 108.800 0.213 0.000 2.708 1180 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.210 1180 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.210 1180 G C 1.036 176.016 174.900 0.134 0.000 1.141 1180 G CA 0.571 45.855 45.100 0.307 0.000 0.788 1180 G HN 0.580 nan 8.290 nan 0.000 0.531 1181 N N -0.154 118.586 118.700 0.067 0.000 2.203 1181 N HA 0.173 4.913 4.740 -0.000 0.000 0.207 1181 N C 1.738 177.204 175.510 -0.073 0.000 1.130 1181 N CA -0.173 52.869 53.050 -0.012 0.000 0.861 1181 N CB 0.382 38.858 38.487 -0.020 0.000 1.005 1181 N HN 0.237 nan 8.380 nan 0.000 0.507 1182 L N 0.776 121.987 121.223 -0.019 0.000 2.633 1182 L HA -0.063 4.277 4.340 -0.000 0.000 0.235 1182 L C 1.699 178.463 176.870 -0.177 0.000 1.163 1182 L CA 0.915 55.761 54.840 0.010 0.000 0.859 1182 L CB -0.689 41.426 42.059 0.093 0.000 0.973 1182 L HN 0.205 nan 8.230 nan 0.000 0.451 1183 T N -2.715 111.650 114.554 -0.316 0.000 3.072 1183 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 1183 T C 1.435 175.943 174.700 -0.321 0.000 1.127 1183 T CA 0.340 62.104 62.100 -0.560 0.000 1.107 1183 T CB -0.478 68.150 68.868 -0.402 0.000 0.910 1183 T HN 0.276 nan 8.240 nan 0.000 0.513 1184 I N -0.982 119.382 120.570 -0.344 0.000 3.334 1184 I HA 0.295 4.465 4.170 -0.000 0.000 0.282 1184 I C 0.330 176.261 176.117 -0.310 0.000 1.313 1184 I CA -0.681 60.429 61.300 -0.316 0.000 1.396 1184 I CB -1.516 36.228 38.000 -0.426 0.000 1.054 1184 I HN 0.145 nan 8.210 nan 0.000 0.495 1185 F N 1.506 121.445 119.950 -0.019 0.000 2.432 1185 F HA 0.515 5.042 4.527 -0.000 0.000 0.329 1185 F C -1.908 173.876 175.800 -0.027 0.000 1.076 1185 F CA -2.785 55.208 58.000 -0.012 0.000 1.018 1185 F CB 0.477 39.472 39.000 -0.008 0.000 1.201 1185 F HN -0.328 nan 8.300 nan 0.000 0.489 1186 P HA 0.019 nan 4.420 nan 0.000 0.262 1186 P C -1.118 176.203 177.300 0.035 0.000 1.182 1186 P CA 0.817 63.838 63.100 -0.131 0.000 0.761 1186 P CB 0.205 31.703 31.700 -0.337 0.000 0.795 1187 H N 0.951 119.912 119.070 -0.181 0.000 2.950 1187 H HA 0.471 5.027 4.556 -0.000 0.000 0.307 1187 H C -1.621 173.581 175.328 -0.210 0.000 1.403 1187 H CA -0.826 55.097 56.048 -0.208 0.000 1.145 1187 H CB 0.853 30.450 29.762 -0.276 0.000 1.844 1187 H HN 0.351 nan 8.280 nan 0.000 0.515 1188 Q N -0.107 119.519 119.800 -0.289 0.000 2.553 1188 Q HA 0.348 4.688 4.340 -0.000 0.000 0.293 1188 Q C -1.450 174.439 176.000 -0.184 0.000 1.038 1188 Q CA -0.820 54.846 55.803 -0.228 0.000 0.777 1188 Q CB 3.055 31.727 28.738 -0.110 0.000 1.487 1188 Q HN 0.544 nan 8.270 nan 0.000 0.426 1189 W N 0.984 122.287 121.300 0.005 0.000 2.627 1189 W HA 0.593 5.253 4.660 -0.000 0.000 0.339 1189 W C -0.467 176.065 176.519 0.021 0.000 1.058 1189 W CA -0.357 57.002 57.345 0.023 0.000 1.223 1189 W CB 0.995 30.461 29.460 0.011 0.000 1.389 1189 W HN 0.342 nan 8.180 nan 0.000 0.541 1190 I N 3.703 124.444 120.570 0.286 0.000 2.371 1190 I HA 0.108 4.278 4.170 -0.000 0.000 0.282 1190 I C -0.281 175.990 176.117 0.257 0.000 1.031 1190 I CA -0.647 60.774 61.300 0.202 0.000 1.180 1190 I CB 0.455 38.534 38.000 0.132 0.000 1.336 1190 I HN 0.302 nan 8.210 nan 0.000 0.467 1191 N N 6.555 125.378 118.700 0.205 0.000 2.485 1191 N HA 0.294 5.034 4.740 -0.000 0.000 0.243 1191 N C 0.872 176.471 175.510 0.147 0.000 0.987 1191 N CA -0.259 52.894 53.050 0.172 0.000 0.940 1191 N CB 1.195 39.736 38.487 0.089 0.000 1.122 1191 N HN 0.539 nan 8.380 nan 0.000 0.509 1192 L N 2.973 124.305 121.223 0.181 0.000 2.137 1192 L HA -0.251 4.089 4.340 -0.000 0.000 0.213 1192 L C 2.299 179.223 176.870 0.091 0.000 1.085 1192 L CA 1.344 56.269 54.840 0.142 0.000 0.760 1192 L CB -0.271 41.876 42.059 0.145 0.000 0.893 1192 L HN 0.639 nan 8.230 nan 0.000 0.434 1193 R N -0.190 120.354 120.500 0.072 0.000 2.237 1193 R HA -0.101 4.239 4.340 -0.000 0.000 0.219 1193 R C 1.669 177.989 176.300 0.033 0.000 1.080 1193 R CA 1.653 57.776 56.100 0.039 0.000 0.995 1193 R CB -0.554 29.755 30.300 0.014 0.000 0.875 1193 R HN 0.445 nan 8.270 nan 0.000 0.462 1194 T N -3.745 110.835 114.554 0.043 0.000 2.986 1194 T HA 0.133 4.483 4.350 -0.000 0.000 0.264 1194 T C -0.022 174.703 174.700 0.042 0.000 0.964 1194 T CA -0.261 61.859 62.100 0.034 0.000 0.895 1194 T CB 0.184 69.066 68.868 0.024 0.000 1.163 1194 T HN 0.277 nan 8.240 nan 0.000 0.517 1195 N N 1.515 120.250 118.700 0.057 0.000 2.331 1195 N HA 0.404 5.144 4.740 -0.000 0.000 0.280 1195 N C -0.872 174.673 175.510 0.060 0.000 1.155 1195 N CA -0.539 52.545 53.050 0.058 0.000 0.822 1195 N CB 1.849 40.379 38.487 0.070 0.000 1.619 1195 N HN 0.087 nan 8.380 nan 0.000 0.476 1196 N N 1.080 119.804 118.700 0.040 0.000 2.241 1196 N HA 0.216 4.956 4.740 -0.000 0.000 0.238 1196 N C -0.992 174.510 175.510 -0.014 0.000 1.244 1196 N CA -0.140 52.926 53.050 0.026 0.000 0.880 1196 N CB -0.663 37.834 38.487 0.018 0.000 1.179 1196 N HN 0.706 nan 8.380 nan 0.000 0.513 1197 C N -2.442 116.844 119.300 -0.023 0.000 3.292 1197 C HA 0.944 5.404 4.460 -0.000 0.000 0.338 1197 C C -1.492 173.451 174.990 -0.079 0.000 1.323 1197 C CA -0.910 58.038 59.018 -0.117 0.000 1.232 1197 C CB 1.208 28.864 27.740 -0.139 0.000 1.517 1197 C HN 0.438 nan 8.230 nan 0.000 0.470 1198 A N 0.827 123.558 122.820 -0.149 0.000 2.422 1198 A HA 0.926 5.246 4.320 -0.000 0.000 0.302 1198 A C -0.540 177.017 177.584 -0.046 0.000 1.041 1198 A CA -0.223 51.771 52.037 -0.073 0.000 0.708 1198 A CB 1.577 20.530 19.000 -0.077 0.000 1.257 1198 A HN 1.227 nan 8.150 nan 0.000 0.414 1199 T N 2.533 117.094 114.554 0.013 0.000 2.881 1199 T HA 0.606 4.956 4.350 -0.000 0.000 0.291 1199 T C -0.701 173.972 174.700 -0.045 0.000 0.990 1199 T CA 0.013 62.142 62.100 0.050 0.000 0.976 1199 T CB 0.463 69.403 68.868 0.120 0.000 0.970 1199 T HN 0.472 nan 8.240 nan 0.000 0.438 1200 I N 2.648 123.167 120.570 -0.085 0.000 2.498 1200 I HA 0.491 4.661 4.170 -0.000 0.000 0.290 1200 I C -0.671 175.323 176.117 -0.206 0.000 1.032 1200 I CA -1.229 59.973 61.300 -0.164 0.000 1.073 1200 I CB 2.293 40.181 38.000 -0.186 0.000 1.251 1200 I HN 0.262 nan 8.210 nan 0.000 0.426 1201 V N 6.534 126.268 119.914 -0.300 0.000 2.347 1201 V HA 0.430 4.550 4.120 -0.000 0.000 0.280 1201 V C 0.136 175.977 176.094 -0.423 0.000 1.021 1201 V CA -0.417 61.634 62.300 -0.415 0.000 0.847 1201 V CB 1.417 32.797 31.823 -0.738 0.000 0.990 1201 V HN 0.592 nan 8.190 nan 0.000 0.444 1202 M N 8.118 127.500 119.600 -0.364 0.000 2.268 1202 M HA 0.508 4.988 4.480 -0.000 0.000 0.344 1202 M C -2.617 173.524 176.300 -0.265 0.000 1.106 1202 M CA -2.042 53.045 55.300 -0.356 0.000 1.010 1202 M CB 2.261 34.536 32.600 -0.541 0.000 1.649 1202 M HN 0.333 nan 8.290 nan 0.000 0.443 1203 P HA 0.187 nan 4.420 nan 0.000 0.280 1203 P C -1.120 176.166 177.300 -0.022 0.000 1.272 1203 P CA -0.519 62.512 63.100 -0.114 0.000 0.819 1203 P CB 0.853 32.512 31.700 -0.067 0.000 1.122 1204 Y N 1.213 121.458 120.300 -0.092 0.000 2.544 1204 Y HA 0.243 4.793 4.550 -0.000 0.000 0.330 1204 Y C -0.051 175.842 175.900 -0.012 0.000 1.136 1204 Y CA 0.521 58.600 58.100 -0.036 0.000 1.417 1204 Y CB -0.307 38.119 38.460 -0.057 0.000 1.229 1204 Y HN 0.114 nan 8.280 nan 0.000 0.532 1205 I N 6.961 127.248 120.570 -0.471 0.000 2.499 1205 I HA 0.342 4.512 4.170 -0.000 0.000 0.288 1205 I C -0.614 175.233 176.117 -0.450 0.000 1.048 1205 I CA -0.645 60.462 61.300 -0.323 0.000 1.062 1205 I CB 1.725 39.631 38.000 -0.156 0.000 1.238 1205 I HN 0.657 nan 8.210 nan 0.000 0.426 1206 N N 3.421 121.940 118.700 -0.302 0.000 3.355 1206 N HA 0.161 4.901 4.740 -0.000 0.000 0.238 1206 N C -0.905 174.583 175.510 -0.037 0.000 1.466 1206 N CA -0.512 52.432 53.050 -0.177 0.000 0.882 1206 N CB 1.123 39.448 38.487 -0.270 0.000 1.406 1206 N HN 0.579 nan 8.380 nan 0.000 0.500 1207 N N -0.476 118.241 118.700 0.029 0.000 2.268 1207 N HA 0.121 4.861 4.740 -0.000 0.000 0.204 1207 N C -0.359 175.185 175.510 0.056 0.000 1.124 1207 N CA 0.085 53.155 53.050 0.034 0.000 0.838 1207 N CB -0.098 38.407 38.487 0.030 0.000 0.994 1207 N HN 0.297 nan 8.380 nan 0.000 0.489 1208 V N -4.138 115.830 119.914 0.090 0.000 3.049 1208 V HA 0.535 4.655 4.120 -0.000 0.000 0.309 1208 V C -1.982 174.209 176.094 0.162 0.000 1.148 1208 V CA -1.595 60.767 62.300 0.104 0.000 0.990 1208 V CB 1.985 33.869 31.823 0.101 0.000 1.039 1208 V HN -0.264 nan 8.190 nan 0.000 0.430 1209 P HA -0.006 nan 4.420 nan 0.000 0.220 1209 P C 0.284 177.628 177.300 0.073 0.000 1.148 1209 P CA 1.310 64.478 63.100 0.113 0.000 0.803 1209 P CB 0.414 32.141 31.700 0.045 0.000 0.782 1210 M N -2.043 117.589 119.600 0.054 0.000 2.755 1210 M HA 0.405 4.885 4.480 -0.000 0.000 0.273 1210 M C -1.413 174.912 176.300 0.042 0.000 1.278 1210 M CA -0.638 54.625 55.300 -0.061 0.000 0.819 1210 M CB 2.843 35.355 32.600 -0.147 0.000 1.694 1210 M HN -0.287 nan 8.290 nan 0.000 0.460 1211 D N -0.042 120.362 120.400 0.007 0.000 2.692 1211 D HA 0.213 4.853 4.640 -0.000 0.000 0.290 1211 D C -1.849 174.431 176.300 -0.032 0.000 1.281 1211 D CA -0.409 53.614 54.000 0.039 0.000 0.804 1211 D CB 1.772 42.706 40.800 0.223 0.000 1.331 1211 D HN 0.616 nan 8.370 nan 0.000 0.432 1212 N N 1.356 120.053 118.700 -0.005 0.000 2.514 1212 N HA 0.113 4.853 4.740 -0.000 0.000 0.277 1212 N C 0.744 176.283 175.510 0.049 0.000 1.126 1212 N CA 0.033 53.096 53.050 0.022 0.000 0.978 1212 N CB 0.889 39.441 38.487 0.109 0.000 1.106 1212 N HN 0.412 nan 8.380 nan 0.000 0.461 1213 M N 2.820 122.401 119.600 -0.032 0.000 2.561 1213 M HA 0.053 4.533 4.480 -0.000 0.000 0.238 1213 M C 0.386 176.544 176.300 -0.237 0.000 1.131 1213 M CA 0.512 55.731 55.300 -0.134 0.000 1.046 1213 M CB 0.090 32.561 32.600 -0.216 0.000 1.532 1213 M HN 0.456 nan 8.290 nan 0.000 0.497 1214 F N -0.211 119.731 119.950 -0.014 0.000 2.437 1214 F HA 0.150 4.677 4.527 -0.000 0.000 0.288 1214 F C 2.502 178.270 175.800 -0.052 0.000 1.085 1214 F CA 0.676 58.651 58.000 -0.042 0.000 1.430 1214 F CB -0.166 38.785 39.000 -0.082 0.000 1.120 1214 F HN 0.000 nan 8.300 nan 0.000 0.556 1215 R N -0.725 119.871 120.500 0.160 0.000 2.236 1215 R HA -0.019 4.321 4.340 -0.000 0.000 0.208 1215 R C -0.003 176.283 176.300 -0.024 0.000 1.036 1215 R CA 0.744 56.878 56.100 0.058 0.000 1.001 1215 R CB -0.106 30.250 30.300 0.093 0.000 0.896 1215 R HN 0.308 nan 8.270 nan 0.000 0.464 1216 H N 0.054 119.032 119.070 -0.154 0.000 2.823 1216 H HA 0.175 4.731 4.556 -0.000 0.000 0.332 1216 H C -1.066 174.158 175.328 -0.173 0.000 0.980 1216 H CA -1.087 54.854 56.048 -0.178 0.000 1.286 1216 H CB 0.624 30.361 29.762 -0.042 0.000 1.541 1216 H HN 0.238 nan 8.280 nan 0.000 0.521 1217 H N 5.269 124.451 119.070 0.186 0.000 2.969 1217 H HA 0.007 4.563 4.556 -0.000 0.000 0.269 1217 H C 0.801 176.063 175.328 -0.111 0.000 1.223 1217 H CA -0.310 55.734 56.048 -0.005 0.000 1.400 1217 H CB 0.246 30.011 29.762 0.005 0.000 1.500 1217 H HN 0.720 nan 8.280 nan 0.000 0.486 1218 N N 2.597 121.217 118.700 -0.133 0.000 2.137 1218 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 1218 N C 0.455 176.035 175.510 0.118 0.000 1.017 1218 N CA 1.281 54.243 53.050 -0.146 0.000 0.859 1218 N CB 0.160 38.647 38.487 0.001 0.000 1.002 1218 N HN 0.503 nan 8.380 nan 0.000 0.428 1219 F N -2.943 117.024 119.950 0.030 0.000 2.719 1219 F HA 0.470 4.997 4.527 -0.000 0.000 0.309 1219 F C -1.293 174.557 175.800 0.084 0.000 1.138 1219 F CA -1.190 56.816 58.000 0.010 0.000 0.943 1219 F CB 0.934 39.912 39.000 -0.036 0.000 1.304 1219 F HN -0.409 nan 8.300 nan 0.000 0.445 1220 T N 3.165 117.820 114.554 0.169 0.000 2.823 1220 T HA 0.596 4.946 4.350 -0.000 0.000 0.279 1220 T C -1.262 173.639 174.700 0.335 0.000 0.998 1220 T CA -0.471 61.714 62.100 0.142 0.000 0.994 1220 T CB 1.594 70.466 68.868 0.007 0.000 0.960 1220 T HN 0.795 nan 8.240 nan 0.000 0.448 1221 L N 4.184 125.674 121.223 0.444 0.000 2.264 1221 L HA 0.638 4.978 4.340 -0.000 0.000 0.289 1221 L C -0.807 176.364 176.870 0.503 0.000 1.044 1221 L CA -0.125 54.986 54.840 0.452 0.000 0.807 1221 L CB 0.371 42.710 42.059 0.467 0.000 1.192 1221 L HN 0.650 nan 8.230 nan 0.000 0.425 1222 M N 6.624 126.461 119.600 0.395 0.000 2.321 1222 M HA 0.484 4.964 4.480 -0.000 0.000 0.315 1222 M C -1.049 175.500 176.300 0.416 0.000 1.052 1222 M CA -0.326 55.264 55.300 0.482 0.000 0.936 1222 M CB 2.095 34.958 32.600 0.437 0.000 1.639 1222 M HN 0.448 nan 8.290 nan 0.000 0.433 1223 I N 4.727 125.611 120.570 0.523 0.000 2.420 1223 I HA 0.459 4.629 4.170 -0.000 0.000 0.282 1223 I C -0.986 175.406 176.117 0.458 0.000 1.019 1223 I CA -0.310 61.237 61.300 0.411 0.000 1.130 1223 I CB 1.160 39.398 38.000 0.398 0.000 1.262 1223 I HN 0.627 nan 8.210 nan 0.000 0.454 1224 I N 8.546 129.291 120.570 0.291 0.000 2.410 1224 I HA 0.347 4.517 4.170 -0.000 0.000 0.286 1224 I C -2.351 173.906 176.117 0.233 0.000 1.009 1224 I CA -2.004 59.415 61.300 0.199 0.000 1.111 1224 I CB 2.075 40.141 38.000 0.111 0.000 1.262 1224 I HN 0.244 nan 8.210 nan 0.000 0.443 1225 P HA 0.132 nan 4.420 nan 0.000 0.276 1225 P C -0.116 177.356 177.300 0.286 0.000 1.243 1225 P CA -0.006 63.231 63.100 0.227 0.000 0.768 1225 P CB 0.898 32.727 31.700 0.216 0.000 0.856 1226 F N 2.184 122.280 119.950 0.243 0.000 2.374 1226 F HA 0.063 4.590 4.527 -0.000 0.000 0.291 1226 F C 1.142 177.048 175.800 0.176 0.000 1.084 1226 F CA 0.800 58.927 58.000 0.211 0.000 1.413 1226 F CB 0.392 39.573 39.000 0.301 0.000 1.099 1226 F HN 0.021 nan 8.300 nan 0.000 0.534 1227 V N 3.109 123.261 119.914 0.397 0.000 2.409 1227 V HA 0.325 4.445 4.120 -0.000 0.000 0.291 1227 V C -2.163 174.135 176.094 0.339 0.000 1.020 1227 V CA -2.022 60.440 62.300 0.270 0.000 0.848 1227 V CB 1.574 33.523 31.823 0.211 0.000 0.990 1227 V HN -0.143 nan 8.190 nan 0.000 0.430 1228 P HA 0.123 nan 4.420 nan 0.000 0.272 1228 P C -0.105 177.259 177.300 0.108 0.000 1.223 1228 P CA -0.351 62.913 63.100 0.274 0.000 0.784 1228 P CB 1.203 33.000 31.700 0.161 0.000 0.923 1229 L N 2.576 123.748 121.223 -0.085 0.000 2.525 1229 L HA 0.063 4.403 4.340 -0.000 0.000 0.278 1229 L C 0.324 177.067 176.870 -0.212 0.000 1.218 1229 L CA 1.030 55.598 54.840 -0.453 0.000 0.878 1229 L CB -0.231 41.277 42.059 -0.918 0.000 1.127 1229 L HN 0.560 nan 8.230 nan 0.000 0.492 1230 N N 2.562 121.173 118.700 -0.148 0.000 2.710 1230 N HA 0.588 5.328 4.740 -0.000 0.000 0.257 1230 N C -1.631 173.783 175.510 -0.161 0.000 1.327 1230 N CA -0.278 52.601 53.050 -0.286 0.000 0.861 1230 N CB 1.721 40.089 38.487 -0.199 0.000 1.532 1230 N HN 0.477 nan 8.380 nan 0.000 0.499 1231 Y N -2.278 117.938 120.300 -0.140 0.000 2.925 1231 Y HA 0.665 5.215 4.550 -0.000 0.000 0.349 1231 Y C -0.457 175.349 175.900 -0.156 0.000 1.342 1231 Y CA -0.830 57.125 58.100 -0.242 0.000 1.093 1231 Y CB -0.061 38.125 38.460 -0.457 0.000 1.571 1231 Y HN 0.278 nan 8.280 nan 0.000 0.438 1232 S N -0.289 115.461 115.700 0.084 0.000 4.355 1232 S HA 0.213 4.683 4.470 -0.000 0.000 0.201 1232 S C 0.798 175.445 174.600 0.077 0.000 1.044 1232 S CA -0.061 58.167 58.200 0.047 0.000 1.777 1232 S CB -0.062 63.141 63.200 0.004 0.000 0.797 1232 S HN 0.761 nan 8.310 nan 0.000 0.774 1233 S N 1.760 117.466 115.700 0.010 0.000 2.660 1233 S HA 0.062 4.532 4.470 -0.000 0.000 0.228 1233 S C -0.118 174.402 174.600 -0.134 0.000 0.966 1233 S CA 0.121 58.357 58.200 0.059 0.000 0.940 1233 S CB -0.644 62.624 63.200 0.113 0.000 0.773 1233 S HN 0.405 nan 8.310 nan 0.000 0.535 1234 D N 3.188 123.407 120.400 -0.302 0.000 2.709 1234 D HA -0.046 4.594 4.640 -0.000 0.000 0.231 1234 D C -0.022 176.067 176.300 -0.353 0.000 1.107 1234 D CA 0.152 53.837 54.000 -0.525 0.000 1.329 1234 D CB -0.991 39.555 40.800 -0.422 0.000 1.138 1234 D HN 0.577 nan 8.370 nan 0.000 0.475 1235 F N -0.135 119.783 119.950 -0.052 0.000 2.330 1235 F HA -0.191 4.336 4.527 -0.000 0.000 0.293 1235 F C 0.637 176.414 175.800 -0.039 0.000 1.362 1235 F CA 0.009 57.986 58.000 -0.038 0.000 1.509 1235 F CB -1.126 37.857 39.000 -0.029 0.000 1.158 1235 F HN -0.118 nan 8.300 nan 0.000 0.657 1236 S N -0.448 115.242 115.700 -0.016 0.000 2.571 1236 S HA 0.212 4.682 4.470 -0.000 0.000 0.238 1236 S C 0.707 175.165 174.600 -0.236 0.000 1.153 1236 S CA -0.426 57.757 58.200 -0.028 0.000 1.141 1236 S CB 1.234 64.452 63.200 0.030 0.000 1.133 1236 S HN 0.411 nan 8.310 nan 0.000 0.464 1237 T N -1.146 113.284 114.554 -0.205 0.000 2.990 1237 T HA 0.204 4.554 4.350 -0.000 0.000 0.250 1237 T C 0.326 175.003 174.700 -0.038 0.000 1.041 1237 T CA 0.019 61.918 62.100 -0.335 0.000 1.010 1237 T CB -0.170 68.666 68.868 -0.053 0.000 1.003 1237 T HN 0.565 nan 8.240 nan 0.000 0.499 1238 Y N 2.477 122.725 120.300 -0.086 0.000 2.556 1238 Y HA 0.528 5.078 4.550 -0.000 0.000 0.352 1238 Y C -1.097 174.785 175.900 -0.031 0.000 1.006 1238 Y CA -0.884 57.205 58.100 -0.018 0.000 1.277 1238 Y CB 0.446 38.905 38.460 -0.002 0.000 1.136 1238 Y HN -0.071 nan 8.280 nan 0.000 0.523 1239 V N 9.556 129.229 119.914 -0.401 0.000 2.340 1239 V HA 0.300 4.420 4.120 -0.000 0.000 0.277 1239 V C -2.229 173.676 176.094 -0.316 0.000 1.017 1239 V CA -1.661 60.422 62.300 -0.362 0.000 0.820 1239 V CB 1.067 32.775 31.823 -0.193 0.000 1.028 1239 V HN 0.680 nan 8.190 nan 0.000 0.436 1240 P HA 0.531 nan 4.420 nan 0.000 0.279 1240 P C -0.781 176.437 177.300 -0.136 0.000 1.252 1240 P CA -0.395 62.516 63.100 -0.314 0.000 0.811 1240 P CB 2.103 33.588 31.700 -0.358 0.000 1.035 1241 I N 0.497 120.980 120.570 -0.145 0.000 2.545 1241 I HA 0.360 4.530 4.170 -0.000 0.000 0.292 1241 I C -0.137 175.885 176.117 -0.159 0.000 1.040 1241 I CA -0.342 60.855 61.300 -0.172 0.000 1.068 1241 I CB 2.362 40.168 38.000 -0.322 0.000 1.251 1241 I HN 0.191 nan 8.210 nan 0.000 0.424 1242 T N 4.821 119.287 114.554 -0.146 0.000 2.881 1242 T HA 0.464 4.814 4.350 -0.000 0.000 0.290 1242 T C -0.635 173.955 174.700 -0.182 0.000 1.000 1242 T CA -0.477 61.547 62.100 -0.127 0.000 0.978 1242 T CB 2.251 71.069 68.868 -0.084 0.000 0.997 1242 T HN 0.137 nan 8.240 nan 0.000 0.443 1243 V N 3.408 123.192 119.914 -0.217 0.000 2.370 1243 V HA 0.568 4.688 4.120 -0.000 0.000 0.283 1243 V C 0.043 176.037 176.094 -0.167 0.000 1.023 1243 V CA -0.410 61.716 62.300 -0.289 0.000 0.857 1243 V CB 1.711 33.174 31.823 -0.599 0.000 0.985 1243 V HN 1.003 nan 8.190 nan 0.000 0.443 1244 T N 4.654 119.150 114.554 -0.097 0.000 2.824 1244 T HA 0.625 4.975 4.350 -0.000 0.000 0.282 1244 T C -0.757 174.008 174.700 0.110 0.000 0.993 1244 T CA -0.364 61.749 62.100 0.021 0.000 0.967 1244 T CB 1.662 70.522 68.868 -0.013 0.000 0.960 1244 T HN 0.647 nan 8.240 nan 0.000 0.441 1245 V N 1.454 121.486 119.914 0.197 0.000 2.876 1245 V HA 0.980 5.100 4.120 -0.000 0.000 0.312 1245 V C -1.543 174.697 176.094 0.244 0.000 1.085 1245 V CA -0.894 61.517 62.300 0.185 0.000 0.945 1245 V CB 1.805 33.586 31.823 -0.070 0.000 1.017 1245 V HN 1.084 nan 8.190 nan 0.000 0.428 1246 A N 6.129 129.005 122.820 0.093 0.000 2.357 1246 A HA 0.920 5.240 4.320 -0.000 0.000 0.295 1246 A C -3.031 174.479 177.584 -0.123 0.000 1.121 1246 A CA -1.853 50.067 52.037 -0.195 0.000 0.742 1246 A CB 1.527 19.942 19.000 -0.975 0.000 1.181 1246 A HN 0.729 nan 8.150 nan 0.000 0.454 1247 P HA 0.287 nan 4.420 nan 0.000 0.269 1247 P C -0.533 176.596 177.300 -0.284 0.000 1.209 1247 P CA 0.456 63.384 63.100 -0.288 0.000 0.776 1247 P CB 0.440 31.928 31.700 -0.353 0.000 0.876 1248 M N 2.018 121.387 119.600 -0.384 0.000 2.263 1248 M HA 0.265 4.745 4.480 -0.000 0.000 0.295 1248 M C -0.409 175.675 176.300 -0.360 0.000 1.028 1248 M CA -0.457 54.661 55.300 -0.303 0.000 0.921 1248 M CB 1.528 33.961 32.600 -0.278 0.000 1.601 1248 M HN 0.385 nan 8.290 nan 0.000 0.440 1249 C N 2.412 121.482 119.300 -0.383 0.000 4.454 1249 C HA -0.120 4.340 4.460 -0.000 0.000 0.301 1249 C C 0.924 175.691 174.990 -0.372 0.000 1.366 1249 C CA 0.249 58.814 59.018 -0.756 0.000 2.016 1249 C CB -2.987 24.132 27.740 -1.035 0.000 1.253 1249 C HN 0.963 nan 8.230 nan 0.000 0.770 1250 A N 1.103 123.854 122.820 -0.116 0.000 2.450 1250 A HA 0.504 4.824 4.320 -0.000 0.000 0.255 1250 A C 0.373 177.871 177.584 -0.143 0.000 1.096 1250 A CA 0.635 52.586 52.037 -0.144 0.000 0.778 1250 A CB 0.331 19.387 19.000 0.092 0.000 1.031 1250 A HN 0.865 nan 8.150 nan 0.000 0.494 1251 E N 1.828 121.764 120.200 -0.440 0.000 2.314 1251 E HA 0.663 5.013 4.350 -0.000 0.000 0.272 1251 E C -1.920 174.278 176.600 -0.669 0.000 0.884 1251 E CA -0.688 55.514 56.400 -0.330 0.000 0.753 1251 E CB 1.295 30.947 29.700 -0.080 0.000 1.213 1251 E HN 0.544 nan 8.360 nan 0.000 0.432 1252 Y N 1.016 121.165 120.300 -0.252 0.000 2.499 1252 Y HA 0.510 5.060 4.550 -0.000 0.000 0.347 1252 Y C -0.439 175.259 175.900 -0.338 0.000 0.987 1252 Y CA -0.882 56.961 58.100 -0.429 0.000 1.044 1252 Y CB 2.485 40.377 38.460 -0.946 0.000 1.245 1252 Y HN 0.579 nan 8.280 nan 0.000 0.461 1253 N N -0.618 118.075 118.700 -0.012 0.000 2.357 1253 N HA 0.595 5.335 4.740 -0.000 0.000 0.284 1253 N C -0.670 175.019 175.510 0.298 0.000 1.236 1253 N CA -0.279 52.842 53.050 0.119 0.000 0.774 1253 N CB 2.123 40.641 38.487 0.051 0.000 1.534 1253 N HN 0.909 nan 8.380 nan 0.000 0.478 1254 G N 0.573 109.556 108.800 0.306 0.000 2.422 1254 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.290 1254 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.290 1254 G C -0.729 174.360 174.900 0.316 0.000 1.059 1254 G CA -0.231 45.068 45.100 0.331 0.000 1.242 1254 G HN 0.442 nan 8.290 nan 0.000 0.520 1255 L N 0.836 122.203 121.223 0.240 0.000 2.380 1255 L HA 0.918 5.258 4.340 -0.000 0.000 0.273 1255 L C 0.534 177.427 176.870 0.039 0.000 1.138 1255 L CA -0.015 54.846 54.840 0.034 0.000 0.832 1255 L CB 0.653 42.709 42.059 -0.005 0.000 1.124 1255 L HN 0.900 nan 8.230 nan 0.000 0.454 1256 R N 3.535 124.053 120.500 0.031 0.000 3.263 1256 R HA 0.503 4.843 4.340 -0.000 0.000 0.262 1256 R C -1.115 175.247 176.300 0.103 0.000 0.996 1256 R CA -0.582 55.551 56.100 0.055 0.000 0.858 1256 R CB -0.256 30.066 30.300 0.037 0.000 1.538 1256 R HN 0.619 nan 8.270 nan 0.000 0.419 1257 L N -0.345 120.918 121.223 0.066 0.000 2.476 1257 L HA 0.476 4.816 4.340 -0.000 0.000 0.264 1257 L C 0.378 177.205 176.870 -0.071 0.000 1.224 1257 L CA -0.518 54.357 54.840 0.059 0.000 0.821 1257 L CB 0.810 42.881 42.059 0.019 0.000 1.101 1257 L HN 0.701 nan 8.230 nan 0.000 0.488 1258 S N 0.758 116.287 115.700 -0.286 0.000 2.572 1258 S HA 0.160 4.630 4.470 -0.000 0.000 0.279 1258 S C 0.256 174.744 174.600 -0.187 0.000 1.341 1258 S CA -0.463 57.424 58.200 -0.522 0.000 1.043 1258 S CB 0.232 62.936 63.200 -0.826 0.000 0.887 1258 S HN 0.786 nan 8.310 nan 0.000 0.516 1259 T N 3.928 118.440 114.554 -0.069 0.000 2.918 1259 T HA 0.407 4.757 4.350 -0.000 0.000 0.302 1259 T C 0.321 174.998 174.700 -0.039 0.000 1.045 1259 T CA -0.022 62.036 62.100 -0.070 0.000 1.114 1259 T CB 0.688 69.423 68.868 -0.221 0.000 0.965 1259 T HN 0.863 nan 8.240 nan 0.000 0.540 1260 A N 4.209 126.973 122.820 -0.094 0.000 2.444 1260 A HA 0.388 4.708 4.320 -0.000 0.000 0.287 1260 A C 0.700 178.237 177.584 -0.077 0.000 1.195 1260 A CA -0.423 51.569 52.037 -0.076 0.000 0.858 1260 A CB -0.611 18.346 19.000 -0.073 0.000 1.117 1260 A HN 0.858 nan 8.150 nan 0.000 0.521 1261 L N 1.502 122.713 121.223 -0.019 0.000 2.309 1261 L HA 0.356 4.696 4.340 -0.000 0.000 0.225 1261 L C 1.146 178.006 176.870 -0.017 0.000 1.209 1261 L CA 1.521 56.371 54.840 0.016 0.000 0.822 1261 L CB -0.072 41.995 42.059 0.013 0.000 1.148 1261 L HN 0.994 nan 8.230 nan 0.000 0.591 1262 Q N 0.000 119.804 119.800 0.007 0.000 2.315 1262 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1262 Q CA 0.000 nan 55.803 nan 0.000 1.022 1262 Q CB 0.000 nan 28.738 nan 0.000 1.108 1262 Q HN 0.000 nan 8.270 nan 0.000 0.481