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 3izk_1_C DATA FIRST_RESID 983 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVIAA DATA SEQUENCE IAALSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 983 V HA 0.000 nan 4.120 nan 0.000 0.244 983 V C 0.000 176.088 176.094 -0.010 0.000 1.182 983 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 983 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 984 L N 1.834 123.050 121.223 -0.012 0.000 2.352 984 L HA 0.607 4.947 4.340 -0.001 0.000 0.269 984 L C -2.290 174.574 176.870 -0.009 0.000 1.034 984 L CA -1.672 53.162 54.840 -0.010 0.000 0.806 984 L CB 0.687 42.739 42.059 -0.012 0.000 1.244 984 L HN 0.140 nan 8.230 nan 0.000 0.447 985 P HA 0.011 nan 4.420 nan 0.000 0.265 985 P C -0.657 176.641 177.300 -0.004 0.000 1.193 985 P CA -0.259 62.839 63.100 -0.003 0.000 0.765 985 P CB 0.394 32.094 31.700 -0.001 0.000 0.823 986 E N 2.897 123.094 120.200 -0.004 0.000 2.480 986 E HA -0.052 4.298 4.350 -0.001 0.000 0.258 986 E C 0.689 177.289 176.600 -0.001 0.000 0.984 986 E CA 0.954 57.351 56.400 -0.005 0.000 0.930 986 E CB -0.320 29.377 29.700 -0.005 0.000 0.936 986 E HN 0.533 nan 8.360 nan 0.000 0.466 987 N N 2.101 120.801 118.700 -0.000 0.000 2.879 987 N HA -0.188 4.551 4.740 -0.001 0.000 0.156 987 N C -0.658 174.861 175.510 0.014 0.000 1.554 987 N CA 0.890 53.944 53.050 0.007 0.000 2.252 987 N CB -1.205 37.288 38.487 0.010 0.000 1.232 987 N HN 0.542 nan 8.380 nan 0.000 0.861 988 M N 1.661 121.267 119.600 0.009 0.000 2.249 988 M HA 0.319 4.799 4.480 -0.001 0.000 0.351 988 M C -0.764 175.539 176.300 0.004 0.000 1.180 988 M CA -0.096 55.214 55.300 0.017 0.000 1.127 988 M CB 0.597 33.203 32.600 0.010 0.000 1.546 988 M HN -0.046 nan 8.290 nan 0.000 0.461 989 K N 4.160 124.575 120.400 0.024 0.000 2.267 989 K HA 0.614 4.933 4.320 -0.001 0.000 0.246 989 K C -1.005 175.571 176.600 -0.040 0.000 0.954 989 K CA -0.758 55.505 56.287 -0.039 0.000 0.824 989 K CB 1.851 34.341 32.500 -0.017 0.000 1.167 989 K HN 0.674 nan 8.250 nan 0.000 0.431 990 R N 1.573 121.949 120.500 -0.206 0.000 2.686 990 R HA 0.446 4.786 4.340 -0.001 0.000 0.286 990 R C -0.905 175.167 176.300 -0.380 0.000 0.969 990 R CA -0.753 55.266 56.100 -0.135 0.000 0.898 990 R CB 1.274 31.534 30.300 -0.067 0.000 1.183 990 R HN 0.558 nan 8.270 nan 0.000 0.456 991 Y N 2.423 122.738 120.300 0.026 0.000 2.536 991 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 991 Y C 0.582 176.495 175.900 0.022 0.000 1.000 991 Y CA -0.982 57.134 58.100 0.026 0.000 1.051 991 Y CB 1.974 40.458 38.460 0.040 0.000 1.259 991 Y HN 0.362 nan 8.280 nan 0.000 0.468 992 M N 0.819 120.514 119.600 0.159 0.000 2.520 992 M HA 0.784 5.263 4.480 -0.001 0.000 0.280 992 M C 0.025 176.369 176.300 0.073 0.000 1.232 992 M CA -0.240 55.113 55.300 0.089 0.000 0.892 992 M CB 1.276 33.903 32.600 0.044 0.000 1.728 992 M HN 0.892 nan 8.290 nan 0.000 0.475 993 G N 2.730 111.560 108.800 0.050 0.000 2.561 993 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.289 993 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.289 993 G C 0.671 175.590 174.900 0.031 0.000 1.169 993 G CA 0.528 45.647 45.100 0.032 0.000 0.980 993 G HN 0.842 nan 8.290 nan 0.000 0.550 994 R N 1.082 121.595 120.500 0.023 0.000 2.152 994 R HA -0.022 4.317 4.340 -0.001 0.000 0.232 994 R C 2.101 178.421 176.300 0.032 0.000 1.117 994 R CA 1.785 57.895 56.100 0.015 0.000 0.981 994 R CB -0.794 29.510 30.300 0.007 0.000 0.870 994 R HN 0.611 nan 8.270 nan 0.000 0.451 995 D N 0.493 120.936 120.400 0.071 0.000 2.224 995 D HA -0.032 4.608 4.640 -0.001 0.000 0.205 995 D C 1.692 178.058 176.300 0.109 0.000 0.965 995 D CA 1.157 55.232 54.000 0.125 0.000 0.852 995 D CB -0.035 40.909 40.800 0.240 0.000 0.947 995 D HN 0.169 nan 8.370 nan 0.000 0.494 996 A N 0.657 123.542 122.820 0.108 0.000 1.929 996 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 996 A C 2.092 179.694 177.584 0.030 0.000 1.176 996 A CA 0.993 53.086 52.037 0.094 0.000 0.628 996 A CB -0.205 18.850 19.000 0.092 0.000 0.816 996 A HN 0.037 nan 8.150 nan 0.000 0.444 997 Q N -0.446 119.361 119.800 0.012 0.000 2.016 997 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 997 Q C 2.252 178.227 176.000 -0.041 0.000 0.978 997 Q CA 1.893 57.688 55.803 -0.012 0.000 0.833 997 Q CB -0.469 28.260 28.738 -0.015 0.000 0.895 997 Q HN 0.631 nan 8.270 nan 0.000 0.427 998 R N 0.915 121.385 120.500 -0.051 0.000 2.075 998 R HA -0.031 4.308 4.340 -0.001 0.000 0.232 998 R C 2.183 178.387 176.300 -0.161 0.000 1.126 998 R CA 1.522 57.571 56.100 -0.085 0.000 0.963 998 R CB -0.617 29.644 30.300 -0.065 0.000 0.858 998 R HN 0.306 nan 8.270 nan 0.000 0.435 999 M N 0.296 119.760 119.600 -0.227 0.000 2.082 999 M HA -0.231 4.248 4.480 -0.001 0.000 0.258 999 M C 1.019 177.151 176.300 -0.280 0.000 1.069 999 M CA 2.104 57.188 55.300 -0.359 0.000 1.102 999 M CB -0.264 32.099 32.600 -0.396 0.000 1.336 999 M HN 0.178 nan 8.290 nan 0.000 0.404 1000 N N 0.754 119.355 118.700 -0.165 0.000 2.188 1000 N HA -0.101 4.638 4.740 -0.001 0.000 0.184 1000 N C 1.656 177.073 175.510 -0.155 0.000 1.018 1000 N CA 1.364 54.319 53.050 -0.159 0.000 0.858 1000 N CB -0.428 38.039 38.487 -0.032 0.000 0.989 1000 N HN 0.395 nan 8.380 nan 0.000 0.426 1001 I N 0.550 121.051 120.570 -0.115 0.000 2.315 1001 I HA -0.142 4.028 4.170 -0.001 0.000 0.248 1001 I C 1.850 177.899 176.117 -0.114 0.000 1.117 1001 I CA 0.684 61.931 61.300 -0.089 0.000 1.404 1001 I CB -0.830 37.133 38.000 -0.061 0.000 1.071 1001 I HN 0.053 nan 8.210 nan 0.000 0.419 1002 L N 0.998 122.130 121.223 -0.151 0.000 2.093 1002 L HA -0.054 4.285 4.340 -0.001 0.000 0.208 1002 L C 2.722 179.489 176.870 -0.173 0.000 1.085 1002 L CA 1.812 56.560 54.840 -0.153 0.000 0.755 1002 L CB -1.339 40.614 42.059 -0.178 0.000 0.904 1002 L HN 0.168 nan 8.230 nan 0.000 0.435 1003 A N -0.549 122.115 122.820 -0.261 0.000 1.902 1003 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 1003 A C 2.405 179.887 177.584 -0.170 0.000 1.181 1003 A CA 1.701 53.562 52.037 -0.294 0.000 0.623 1003 A CB -1.280 17.354 19.000 -0.610 0.000 0.818 1003 A HN 0.432 nan 8.150 nan 0.000 0.443 1004 G N -0.720 107.995 108.800 -0.141 0.000 2.422 1004 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.218 1004 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.218 1004 G C 1.672 176.530 174.900 -0.069 0.000 1.140 1004 G CA 1.139 46.189 45.100 -0.083 0.000 0.775 1004 G HN 0.520 nan 8.290 nan 0.000 0.545 1005 R N 0.635 121.089 120.500 -0.078 0.000 2.092 1005 R HA 0.109 4.449 4.340 -0.001 0.000 0.231 1005 R C 2.399 178.665 176.300 -0.058 0.000 1.119 1005 R CA 0.984 57.046 56.100 -0.064 0.000 0.970 1005 R CB -0.647 29.614 30.300 -0.065 0.000 0.864 1005 R HN 0.427 nan 8.270 nan 0.000 0.440 1006 I N 0.100 120.630 120.570 -0.066 0.000 2.127 1006 I HA -0.292 3.877 4.170 -0.001 0.000 0.241 1006 I C 1.774 177.866 176.117 -0.041 0.000 1.075 1006 I CA 1.062 62.331 61.300 -0.052 0.000 1.334 1006 I CB -0.282 37.684 38.000 -0.056 0.000 1.040 1006 I HN 0.140 nan 8.210 nan 0.000 0.405 1007 I N 0.900 121.445 120.570 -0.042 0.000 2.233 1007 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 1007 I C 2.873 178.971 176.117 -0.032 0.000 1.093 1007 I CA 1.597 62.879 61.300 -0.031 0.000 1.380 1007 I CB -1.614 36.370 38.000 -0.027 0.000 1.067 1007 I HN 0.167 nan 8.210 nan 0.000 0.413 1008 A N 0.442 123.239 122.820 -0.038 0.000 1.940 1008 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 1008 A C 2.282 179.843 177.584 -0.038 0.000 1.176 1008 A CA 2.097 54.111 52.037 -0.038 0.000 0.631 1008 A CB -0.573 18.401 19.000 -0.043 0.000 0.814 1008 A HN 0.407 nan 8.150 nan 0.000 0.446 1009 E N -0.494 119.683 120.200 -0.038 0.000 2.107 1009 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 1009 E C 2.014 178.595 176.600 -0.031 0.000 0.982 1009 E CA 1.777 58.156 56.400 -0.035 0.000 0.809 1009 E CB -0.513 29.166 29.700 -0.035 0.000 0.756 1009 E HN 0.505 nan 8.360 nan 0.000 0.459 1010 T N 0.116 114.652 114.554 -0.029 0.000 2.746 1010 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 1010 T C 1.881 176.566 174.700 -0.025 0.000 1.039 1010 T CA 1.793 63.878 62.100 -0.025 0.000 1.142 1010 T CB -0.323 68.532 68.868 -0.022 0.000 0.866 1010 T HN 0.267 nan 8.240 nan 0.000 0.444 1011 V N 1.868 121.766 119.914 -0.026 0.000 2.649 1011 V HA 0.013 4.133 4.120 -0.001 0.000 0.248 1011 V C 2.347 178.423 176.094 -0.030 0.000 1.054 1011 V CA 1.311 63.596 62.300 -0.026 0.000 1.073 1011 V CB -0.891 30.917 31.823 -0.025 0.000 0.699 1011 V HN 0.480 nan 8.190 nan 0.000 0.463 1012 R N 2.694 123.174 120.500 -0.033 0.000 2.241 1012 R HA -0.061 4.278 4.340 -0.001 0.000 0.224 1012 R C 2.014 178.292 176.300 -0.037 0.000 1.101 1012 R CA 1.590 57.667 56.100 -0.038 0.000 0.995 1012 R CB -0.984 29.292 30.300 -0.041 0.000 0.870 1012 R HN 0.690 nan 8.270 nan 0.000 0.463 1013 S N 0.031 115.711 115.700 -0.033 0.000 2.522 1013 S HA -0.074 4.396 4.470 -0.001 0.000 0.227 1013 S C 1.691 176.271 174.600 -0.033 0.000 0.986 1013 S CA 0.683 58.863 58.200 -0.033 0.000 0.929 1013 S CB 0.080 63.263 63.200 -0.029 0.000 0.769 1013 S HN 0.550 nan 8.310 nan 0.000 0.529 1014 T N -0.944 113.591 114.554 -0.031 0.000 3.069 1014 T HA 0.353 4.702 4.350 -0.001 0.000 0.252 1014 T C 0.323 175.004 174.700 -0.033 0.000 1.053 1014 T CA -0.522 61.561 62.100 -0.029 0.000 0.964 1014 T CB -0.436 68.418 68.868 -0.023 0.000 1.005 1014 T HN 0.258 nan 8.240 nan 0.000 0.532 1015 L N 2.928 124.128 121.223 -0.038 0.000 2.462 1015 L HA 0.519 4.858 4.340 -0.001 0.000 0.272 1015 L C 0.703 177.542 176.870 -0.052 0.000 1.166 1015 L CA 1.609 56.424 54.840 -0.041 0.000 0.880 1015 L CB -0.750 41.282 42.059 -0.044 0.000 1.142 1015 L HN 0.697 nan 8.230 nan 0.000 0.473 1016 G N 4.398 113.169 108.800 -0.048 0.000 2.663 1016 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.686 1016 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.686 1016 G C -2.064 172.790 174.900 -0.075 0.000 1.288 1016 G CA -0.340 44.719 45.100 -0.068 0.000 0.836 1016 G HN 0.553 nan 8.290 nan 0.000 0.584 1017 P HA 0.003 nan 4.420 nan 0.000 0.222 1017 P C 1.122 178.329 177.300 -0.155 0.000 1.147 1017 P CA 1.231 64.270 63.100 -0.103 0.000 0.790 1017 P CB 0.112 31.725 31.700 -0.145 0.000 0.780 1018 K N -0.210 120.061 120.400 -0.214 0.000 2.372 1018 K HA 0.272 4.592 4.320 -0.001 0.000 0.200 1018 K C 1.171 177.711 176.600 -0.100 0.000 1.022 1018 K CA -0.140 56.047 56.287 -0.167 0.000 1.125 1018 K CB -0.110 32.262 32.500 -0.212 0.000 0.855 1018 K HN 0.067 nan 8.250 nan 0.000 0.524 1019 G N 0.226 108.977 108.800 -0.082 0.000 2.616 1019 G HA2 0.246 4.205 3.960 -0.001 0.000 0.268 1019 G HA3 0.246 4.205 3.960 -0.001 0.000 0.268 1019 G C 0.017 174.892 174.900 -0.041 0.000 1.213 1019 G CA -0.514 44.552 45.100 -0.057 0.000 0.926 1019 G HN -0.069 nan 8.290 nan 0.000 0.523 1020 M N -0.044 119.536 119.600 -0.034 0.000 2.531 1020 M HA 0.401 4.880 4.480 -0.001 0.000 0.262 1020 M C -0.231 176.056 176.300 -0.021 0.000 1.168 1020 M CA -0.678 54.607 55.300 -0.026 0.000 0.926 1020 M CB 1.117 33.702 32.600 -0.025 0.000 1.445 1020 M HN 0.727 nan 8.290 nan 0.000 0.531 1021 D N -0.590 119.799 120.400 -0.018 0.000 2.493 1021 D HA 0.562 5.202 4.640 -0.001 0.000 0.239 1021 D C -1.300 174.990 176.300 -0.017 0.000 1.049 1021 D CA -0.762 53.228 54.000 -0.016 0.000 1.008 1021 D CB 1.271 42.063 40.800 -0.013 0.000 1.398 1021 D HN 0.116 nan 8.370 nan 0.000 0.513 1022 K N 0.344 120.734 120.400 -0.016 0.000 2.259 1022 K HA 0.397 4.716 4.320 -0.001 0.000 0.252 1022 K C -0.950 175.640 176.600 -0.017 0.000 0.936 1022 K CA -0.719 55.558 56.287 -0.016 0.000 0.810 1022 K CB 1.970 34.461 32.500 -0.014 0.000 1.143 1022 K HN 0.677 nan 8.250 nan 0.000 0.427 1023 M N 4.058 123.647 119.600 -0.019 0.000 2.047 1023 M HA 0.253 4.733 4.480 -0.001 0.000 0.342 1023 M C -1.493 174.796 176.300 -0.017 0.000 1.058 1023 M CA -0.972 54.315 55.300 -0.022 0.000 0.991 1023 M CB 0.368 32.952 32.600 -0.026 0.000 1.474 1023 M HN 0.347 nan 8.290 nan 0.000 0.419 1024 L N 6.057 127.270 121.223 -0.015 0.000 2.272 1024 L HA 0.522 4.862 4.340 -0.001 0.000 0.289 1024 L C -0.798 176.065 176.870 -0.011 0.000 1.032 1024 L CA -0.253 54.580 54.840 -0.011 0.000 0.810 1024 L CB 1.670 43.725 42.059 -0.008 0.000 1.205 1024 L HN 0.414 nan 8.230 nan 0.000 0.422 1025 V N 2.815 122.723 119.914 -0.009 0.000 2.407 1025 V HA 0.370 4.490 4.120 -0.001 0.000 0.291 1025 V C -0.352 175.739 176.094 -0.004 0.000 1.018 1025 V CA -0.941 61.354 62.300 -0.009 0.000 0.842 1025 V CB 1.529 33.346 31.823 -0.010 0.000 0.996 1025 V HN 0.806 nan 8.190 nan 0.000 0.426 1026 D N 2.246 122.644 120.400 -0.002 0.000 2.478 1026 D HA 0.093 4.733 4.640 -0.001 0.000 0.269 1026 D C 0.888 177.188 176.300 0.000 0.000 1.232 1026 D CA -0.494 53.506 54.000 -0.000 0.000 1.059 1026 D CB 0.704 41.505 40.800 0.001 0.000 1.104 1026 D HN 0.400 nan 8.370 nan 0.000 0.566 1027 D N -1.740 118.661 120.400 0.001 0.000 2.264 1027 D HA -0.088 4.551 4.640 -0.001 0.000 0.208 1027 D C 1.451 177.752 176.300 0.002 0.000 0.966 1027 D CA 0.623 54.624 54.000 0.002 0.000 0.864 1027 D CB 0.002 40.803 40.800 0.002 0.000 0.933 1027 D HN 0.185 nan 8.370 nan 0.000 0.499 1028 L N -1.005 120.220 121.223 0.003 0.000 2.558 1028 L HA 0.351 4.690 4.340 -0.001 0.000 0.225 1028 L C 1.952 178.824 176.870 0.004 0.000 1.128 1028 L CA 0.910 55.752 54.840 0.004 0.000 0.868 1028 L CB 0.144 42.205 42.059 0.004 0.000 1.006 1028 L HN 0.255 nan 8.230 nan 0.000 0.454 1029 G N -1.318 107.484 108.800 0.003 0.000 2.179 1029 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.220 1029 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.220 1029 G C 0.243 175.144 174.900 0.002 0.000 0.990 1029 G CA 0.101 45.202 45.100 0.002 0.000 0.646 1029 G HN 0.322 nan 8.290 nan 0.000 0.517 1030 D N 1.162 121.564 120.400 0.003 0.000 2.382 1030 D HA 0.394 5.033 4.640 -0.001 0.000 0.259 1030 D C 0.415 176.713 176.300 -0.003 0.000 1.224 1030 D CA 0.160 54.163 54.000 0.005 0.000 0.894 1030 D CB 1.100 41.905 40.800 0.008 0.000 1.127 1030 D HN 0.194 nan 8.370 nan 0.000 0.487 1031 V N 4.992 124.900 119.914 -0.009 0.000 2.347 1031 V HA 0.280 4.400 4.120 -0.001 0.000 0.280 1031 V C 0.128 176.204 176.094 -0.029 0.000 1.021 1031 V CA -0.795 61.490 62.300 -0.025 0.000 0.847 1031 V CB 1.580 33.377 31.823 -0.043 0.000 0.990 1031 V HN 0.334 nan 8.190 nan 0.000 0.444 1032 V N 6.043 125.944 119.914 -0.022 0.000 2.378 1032 V HA 0.449 4.569 4.120 -0.001 0.000 0.288 1032 V C -0.222 175.859 176.094 -0.022 0.000 1.016 1032 V CA -0.561 61.729 62.300 -0.017 0.000 0.840 1032 V CB 1.942 33.763 31.823 -0.004 0.000 0.994 1032 V HN 0.589 nan 8.190 nan 0.000 0.431 1033 V N 4.447 124.344 119.914 -0.029 0.000 2.357 1033 V HA 0.769 4.888 4.120 -0.001 0.000 0.284 1033 V C 0.103 176.189 176.094 -0.014 0.000 1.018 1033 V CA 0.019 62.302 62.300 -0.028 0.000 0.841 1033 V CB 1.587 33.384 31.823 -0.044 0.000 0.991 1033 V HN 0.976 nan 8.190 nan 0.000 0.437 1034 T N 2.640 117.187 114.554 -0.011 0.000 2.739 1034 T HA 0.306 4.655 4.350 -0.001 0.000 0.303 1034 T C 0.129 174.825 174.700 -0.007 0.000 1.389 1034 T CA -0.360 61.737 62.100 -0.005 0.000 1.001 1034 T CB 2.059 70.926 68.868 -0.001 0.000 1.436 1034 T HN 0.601 nan 8.240 nan 0.000 0.500 1035 N N 0.324 119.022 118.700 -0.004 0.000 2.210 1035 N HA 0.085 4.825 4.740 -0.001 0.000 0.203 1035 N C -0.779 174.728 175.510 -0.006 0.000 1.175 1035 N CA -0.019 53.028 53.050 -0.006 0.000 0.894 1035 N CB 0.444 38.928 38.487 -0.004 0.000 1.041 1035 N HN 0.552 nan 8.380 nan 0.000 0.506 1036 D N 0.359 120.757 120.400 -0.003 0.000 2.450 1036 D HA 0.093 4.733 4.640 -0.001 0.000 0.247 1036 D C 1.282 177.579 176.300 -0.004 0.000 1.162 1036 D CA 0.174 54.173 54.000 -0.002 0.000 0.879 1036 D CB 1.274 42.075 40.800 0.001 0.000 1.163 1036 D HN 0.290 nan 8.370 nan 0.000 0.472 1037 G N 1.658 110.455 108.800 -0.006 0.000 2.414 1037 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.215 1037 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.215 1037 G C 1.495 176.392 174.900 -0.005 0.000 1.188 1037 G CA 0.303 45.398 45.100 -0.008 0.000 0.783 1037 G HN 0.452 nan 8.290 nan 0.000 0.537 1038 V N 0.824 120.736 119.914 -0.003 0.000 2.515 1038 V HA -0.101 4.018 4.120 -0.001 0.000 0.250 1038 V C 2.969 179.063 176.094 0.000 0.000 1.058 1038 V CA 2.737 65.037 62.300 -0.001 0.000 1.064 1038 V CB -0.561 31.262 31.823 0.001 0.000 0.675 1038 V HN 0.400 nan 8.190 nan 0.000 0.461 1039 T N 0.566 115.120 114.554 0.000 0.000 2.777 1039 T HA -0.076 4.274 4.350 -0.001 0.000 0.266 1039 T C 1.752 176.452 174.700 -0.000 0.000 1.040 1039 T CA 1.968 64.069 62.100 0.001 0.000 1.141 1039 T CB -0.257 68.612 68.868 0.001 0.000 0.868 1039 T HN 0.461 nan 8.240 nan 0.000 0.444 1040 I N 0.628 121.197 120.570 -0.002 0.000 2.208 1040 I HA -0.146 4.024 4.170 -0.001 0.000 0.245 1040 I C 1.981 178.097 176.117 -0.002 0.000 1.097 1040 I CA 0.944 62.242 61.300 -0.003 0.000 1.363 1040 I CB -0.265 37.731 38.000 -0.006 0.000 1.051 1040 I HN 0.162 nan 8.210 nan 0.000 0.413 1041 L N 0.171 121.393 121.223 -0.001 0.000 2.217 1041 L HA -0.079 4.261 4.340 -0.001 0.000 0.211 1041 L C 2.458 179.330 176.870 0.004 0.000 1.107 1041 L CA 1.560 56.400 54.840 0.001 0.000 0.783 1041 L CB -0.752 41.308 42.059 0.001 0.000 0.919 1041 L HN 0.104 nan 8.230 nan 0.000 0.442 1042 R N -1.069 119.433 120.500 0.003 0.000 2.093 1042 R HA -0.035 4.305 4.340 -0.001 0.000 0.224 1042 R C 1.963 178.265 176.300 0.004 0.000 1.101 1042 R CA 0.663 56.765 56.100 0.004 0.000 0.979 1042 R CB 0.001 30.304 30.300 0.004 0.000 0.877 1042 R HN 0.273 nan 8.270 nan 0.000 0.441 1043 E N 0.985 121.186 120.200 0.003 0.000 2.086 1043 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 1043 E C 1.284 177.885 176.600 0.002 0.000 0.975 1043 E CA 0.560 56.962 56.400 0.002 0.000 0.813 1043 E CB -0.105 29.596 29.700 0.001 0.000 0.768 1043 E HN 0.333 nan 8.360 nan 0.000 0.457 1044 M N -0.210 119.391 119.600 0.002 0.000 2.184 1044 M HA 0.099 4.578 4.480 -0.001 0.000 0.296 1044 M C 0.518 176.821 176.300 0.005 0.000 1.165 1044 M CA 0.360 55.661 55.300 0.002 0.000 1.175 1044 M CB 0.479 33.080 32.600 0.001 0.000 1.392 1044 M HN -0.239 nan 8.290 nan 0.000 0.457 1045 S N 1.534 117.238 115.700 0.007 0.000 2.466 1045 S HA 0.491 4.960 4.470 -0.001 0.000 0.313 1045 S C -0.895 173.714 174.600 0.015 0.000 1.078 1045 S CA -0.805 57.401 58.200 0.010 0.000 1.115 1045 S CB -0.015 63.191 63.200 0.010 0.000 1.006 1045 S HN 0.508 nan 8.310 nan 0.000 0.487 1046 V N 5.733 125.658 119.914 0.018 0.000 2.439 1046 V HA 0.425 4.545 4.120 -0.001 0.000 0.282 1046 V C 0.610 176.725 176.094 0.035 0.000 1.039 1046 V CA -0.405 61.912 62.300 0.028 0.000 0.913 1046 V CB 1.622 33.462 31.823 0.027 0.000 0.983 1046 V HN 0.793 nan 8.190 nan 0.000 0.460 1047 E N 1.147 121.379 120.200 0.052 0.000 2.228 1047 E HA 0.091 4.441 4.350 -0.001 0.000 0.197 1047 E C 0.723 177.357 176.600 0.058 0.000 0.909 1047 E CA 0.112 56.539 56.400 0.046 0.000 0.911 1047 E CB -0.005 29.722 29.700 0.044 0.000 0.887 1047 E HN 0.693 nan 8.360 nan 0.000 0.481 1048 H N 2.735 121.808 119.070 0.006 0.000 2.886 1048 H HA 0.043 4.598 4.556 -0.001 0.000 0.329 1048 H C -1.713 173.618 175.328 0.005 0.000 1.044 1048 H CA -1.409 54.643 56.048 0.007 0.000 1.456 1048 H CB 1.528 31.289 29.762 -0.001 0.000 1.464 1048 H HN -0.206 nan 8.280 nan 0.000 0.573 1049 P HA -0.147 nan 4.420 nan 0.000 0.216 1049 P C 1.075 178.485 177.300 0.183 0.000 1.150 1049 P CA 2.024 65.159 63.100 0.058 0.000 0.843 1049 P CB 0.118 31.792 31.700 -0.042 0.000 0.787 1050 A N 0.013 123.097 122.820 0.439 0.000 1.877 1050 A HA -0.090 4.229 4.320 -0.001 0.000 0.216 1050 A C 2.329 179.962 177.584 0.083 0.000 1.186 1050 A CA 2.078 54.234 52.037 0.198 0.000 0.620 1050 A CB -1.566 17.460 19.000 0.043 0.000 0.822 1050 A HN 0.201 nan 8.150 nan 0.000 0.443 1051 A N -0.366 122.505 122.820 0.084 0.000 1.969 1051 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 1051 A C 2.078 179.688 177.584 0.043 0.000 1.169 1051 A CA 1.657 53.714 52.037 0.034 0.000 0.635 1051 A CB -0.359 18.657 19.000 0.027 0.000 0.810 1051 A HN 0.542 nan 8.150 nan 0.000 0.445 1052 K N -0.956 119.483 120.400 0.065 0.000 2.097 1052 K HA -0.034 4.285 4.320 -0.001 0.000 0.205 1052 K C 1.855 178.476 176.600 0.035 0.000 1.050 1052 K CA 1.293 57.606 56.287 0.043 0.000 0.938 1052 K CB -0.190 32.334 32.500 0.041 0.000 0.718 1052 K HN 0.347 nan 8.250 nan 0.000 0.442 1053 M N 0.623 120.248 119.600 0.041 0.000 2.288 1053 M HA -0.052 4.428 4.480 -0.001 0.000 0.266 1053 M C 2.168 178.482 176.300 0.024 0.000 1.072 1053 M CA 1.034 56.353 55.300 0.032 0.000 1.132 1053 M CB -0.669 31.954 32.600 0.037 0.000 1.386 1053 M HN 0.200 nan 8.290 nan 0.000 0.432 1054 L N 0.370 121.605 121.223 0.021 0.000 2.046 1054 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 1054 L C 2.224 179.099 176.870 0.009 0.000 1.077 1054 L CA 1.225 56.071 54.840 0.010 0.000 0.747 1054 L CB -0.175 41.885 42.059 0.001 0.000 0.896 1054 L HN 0.156 nan 8.230 nan 0.000 0.432 1055 I N -0.333 120.244 120.570 0.012 0.000 2.208 1055 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 1055 I C 2.468 178.591 176.117 0.010 0.000 1.097 1055 I CA 1.053 62.359 61.300 0.010 0.000 1.363 1055 I CB -0.404 37.604 38.000 0.012 0.000 1.051 1055 I HN 0.310 nan 8.210 nan 0.000 0.413 1056 E N 0.467 120.675 120.200 0.013 0.000 2.118 1056 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 1056 E C 2.419 179.025 176.600 0.011 0.000 0.992 1056 E CA 1.161 57.568 56.400 0.012 0.000 0.804 1056 E CB -0.259 29.450 29.700 0.015 0.000 0.741 1056 E HN 0.367 nan 8.360 nan 0.000 0.458 1057 V N 1.466 121.387 119.914 0.011 0.000 2.358 1057 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 1057 V C 2.461 178.559 176.094 0.006 0.000 1.047 1057 V CA 1.714 64.020 62.300 0.010 0.000 1.035 1057 V CB -0.806 31.022 31.823 0.009 0.000 0.658 1057 V HN 0.239 nan 8.190 nan 0.000 0.452 1058 A N -0.318 122.504 122.820 0.004 0.000 1.933 1058 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 1058 A C 2.283 179.869 177.584 0.003 0.000 1.175 1058 A CA 1.819 53.857 52.037 0.001 0.000 0.628 1058 A CB -0.400 18.600 19.000 -0.000 0.000 0.814 1058 A HN 0.543 nan 8.150 nan 0.000 0.444 1059 K N -0.928 119.475 120.400 0.005 0.000 2.155 1059 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 1059 K C 1.969 178.573 176.600 0.006 0.000 1.052 1059 K CA 1.514 57.804 56.287 0.005 0.000 0.948 1059 K CB -0.278 32.225 32.500 0.006 0.000 0.728 1059 K HN 0.460 nan 8.250 nan 0.000 0.448 1060 T N 1.189 115.747 114.554 0.007 0.000 2.777 1060 T HA -0.181 4.168 4.350 -0.001 0.000 0.266 1060 T C 1.830 176.534 174.700 0.007 0.000 1.040 1060 T CA 1.358 63.463 62.100 0.008 0.000 1.141 1060 T CB -0.128 68.746 68.868 0.010 0.000 0.868 1060 T HN 0.179 nan 8.240 nan 0.000 0.444 1061 Q N 1.395 121.198 119.800 0.005 0.000 2.096 1061 Q HA -0.127 4.213 4.340 -0.001 0.000 0.204 1061 Q C 2.099 178.101 176.000 0.004 0.000 0.982 1061 Q CA 1.919 57.725 55.803 0.004 0.000 0.850 1061 Q CB -0.263 28.475 28.738 0.001 0.000 0.901 1061 Q HN 0.679 nan 8.270 nan 0.000 0.422 1062 E N -0.741 119.461 120.200 0.003 0.000 2.072 1062 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 1062 E C 1.590 178.193 176.600 0.004 0.000 0.985 1062 E CA 0.972 57.374 56.400 0.003 0.000 0.801 1062 E CB 0.063 29.765 29.700 0.003 0.000 0.750 1062 E HN 0.139 nan 8.360 nan 0.000 0.452 1063 K N 0.373 120.775 120.400 0.004 0.000 2.147 1063 K HA -0.115 4.204 4.320 -0.001 0.000 0.205 1063 K C 1.940 178.543 176.600 0.005 0.000 1.049 1063 K CA 0.999 57.289 56.287 0.005 0.000 0.936 1063 K CB 0.027 32.530 32.500 0.005 0.000 0.722 1063 K HN 0.239 nan 8.250 nan 0.000 0.446 1064 E N -0.011 120.192 120.200 0.006 0.000 2.045 1064 E HA -0.022 4.328 4.350 -0.001 0.000 0.190 1064 E C 2.227 178.831 176.600 0.006 0.000 0.968 1064 E CA 0.758 57.162 56.400 0.006 0.000 0.813 1064 E CB -0.047 29.658 29.700 0.008 0.000 0.780 1064 E HN -0.025 nan 8.360 nan 0.000 0.455 1065 V N -0.790 119.128 119.914 0.006 0.000 2.788 1065 V HA 0.207 4.327 4.120 -0.001 0.000 0.241 1065 V C 1.678 177.775 176.094 0.005 0.000 1.083 1065 V CA 1.159 63.462 62.300 0.006 0.000 1.103 1065 V CB 0.280 32.106 31.823 0.005 0.000 0.800 1065 V HN 0.508 nan 8.190 nan 0.000 0.476 1066 G N 0.297 109.100 108.800 0.004 0.000 4.677 1066 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.215 1066 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.215 1066 G C 0.168 175.071 174.900 0.004 0.000 1.506 1066 G CA 0.327 45.429 45.100 0.004 0.000 1.016 1066 G HN 0.482 nan 8.290 nan 0.000 0.653 1067 D N 1.668 122.071 120.400 0.005 0.000 2.377 1067 D HA 0.486 5.125 4.640 -0.001 0.000 0.245 1067 D C 1.482 177.784 176.300 0.003 0.000 1.196 1067 D CA 1.589 55.592 54.000 0.005 0.000 0.962 1067 D CB 0.390 41.195 40.800 0.008 0.000 1.127 1067 D HN 1.800 nan 8.370 nan 0.000 0.471 1068 G N 0.232 109.033 108.800 0.001 0.000 2.147 1068 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.244 1068 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.244 1068 G C 1.019 175.915 174.900 -0.007 0.000 1.005 1068 G CA 1.326 46.424 45.100 -0.004 0.000 0.713 1068 G HN 0.658 nan 8.290 nan 0.000 0.515 1069 T N -3.390 111.160 114.554 -0.006 0.000 2.833 1069 T HA -0.083 4.267 4.350 -0.001 0.000 0.269 1069 T C 2.202 176.894 174.700 -0.012 0.000 1.054 1069 T CA 2.460 64.556 62.100 -0.007 0.000 1.135 1069 T CB -0.365 68.500 68.868 -0.005 0.000 0.869 1069 T HN 0.308 nan 8.240 nan 0.000 0.466 1070 T N 1.883 116.428 114.554 -0.015 0.000 2.732 1070 T HA -0.044 4.306 4.350 -0.001 0.000 0.261 1070 T C 2.294 176.977 174.700 -0.027 0.000 1.040 1070 T CA 1.693 63.781 62.100 -0.021 0.000 1.145 1070 T CB -0.922 67.933 68.868 -0.022 0.000 0.866 1070 T HN 0.471 nan 8.240 nan 0.000 0.427 1071 T N 2.329 116.867 114.554 -0.026 0.000 2.665 1071 T HA -0.128 4.222 4.350 -0.001 0.000 0.268 1071 T C 2.364 177.041 174.700 -0.038 0.000 1.035 1071 T CA 1.356 63.436 62.100 -0.034 0.000 1.151 1071 T CB -0.644 68.207 68.868 -0.029 0.000 0.862 1071 T HN 0.423 nan 8.240 nan 0.000 0.438 1072 A N 0.789 123.591 122.820 -0.030 0.000 1.908 1072 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 1072 A C 2.596 180.160 177.584 -0.034 0.000 1.181 1072 A CA 1.620 53.639 52.037 -0.029 0.000 0.627 1072 A CB -0.975 18.015 19.000 -0.017 0.000 0.818 1072 A HN 0.384 nan 8.150 nan 0.000 0.445 1073 V N -0.602 119.294 119.914 -0.030 0.000 2.453 1073 V HA -0.175 3.944 4.120 -0.001 0.000 0.247 1073 V C 2.545 178.613 176.094 -0.043 0.000 1.048 1073 V CA 1.711 63.992 62.300 -0.031 0.000 1.049 1073 V CB -0.591 31.217 31.823 -0.026 0.000 0.672 1073 V HN 0.365 nan 8.190 nan 0.000 0.457 1074 V N -0.197 119.689 119.914 -0.047 0.000 2.343 1074 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 1074 V C 2.438 178.488 176.094 -0.074 0.000 1.051 1074 V CA 1.877 64.143 62.300 -0.056 0.000 1.036 1074 V CB -0.414 31.376 31.823 -0.055 0.000 0.654 1074 V HN 0.400 nan 8.190 nan 0.000 0.451 1075 V N 0.358 120.223 119.914 -0.083 0.000 2.295 1075 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 1075 V C 2.704 178.721 176.094 -0.128 0.000 1.049 1075 V CA 2.104 64.333 62.300 -0.118 0.000 1.024 1075 V CB -1.123 30.628 31.823 -0.121 0.000 0.648 1075 V HN 0.562 nan 8.190 nan 0.000 0.447 1076 A N 0.326 123.093 122.820 -0.089 0.000 1.972 1076 A HA -0.049 4.271 4.320 -0.001 0.000 0.219 1076 A C 2.375 179.924 177.584 -0.058 0.000 1.169 1076 A CA 1.795 53.791 52.037 -0.068 0.000 0.635 1076 A CB -1.066 17.913 19.000 -0.035 0.000 0.810 1076 A HN 0.534 nan 8.150 nan 0.000 0.446 1077 G N -0.372 108.393 108.800 -0.059 0.000 2.404 1077 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.215 1077 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.215 1077 G C 1.483 176.350 174.900 -0.054 0.000 1.174 1077 G CA 1.275 46.345 45.100 -0.051 0.000 0.780 1077 G HN 0.544 nan 8.290 nan 0.000 0.537 1078 E N -0.002 120.154 120.200 -0.074 0.000 2.152 1078 E HA -0.033 4.317 4.350 -0.001 0.000 0.192 1078 E C 2.284 178.832 176.600 -0.086 0.000 0.983 1078 E CA 0.370 56.723 56.400 -0.078 0.000 0.818 1078 E CB -0.406 29.235 29.700 -0.098 0.000 0.758 1078 E HN 0.258 nan 8.360 nan 0.000 0.467 1079 L N 0.110 121.258 121.223 -0.126 0.000 2.083 1079 L HA -0.068 4.272 4.340 -0.001 0.000 0.209 1079 L C 2.024 178.892 176.870 -0.004 0.000 1.083 1079 L CA 1.586 56.327 54.840 -0.165 0.000 0.752 1079 L CB -0.410 41.501 42.059 -0.246 0.000 0.899 1079 L HN 0.256 nan 8.230 nan 0.000 0.433 1080 L N -1.166 120.064 121.223 0.013 0.000 2.093 1080 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 1080 L C 2.731 179.627 176.870 0.042 0.000 1.085 1080 L CA 0.975 55.847 54.840 0.054 0.000 0.755 1080 L CB -0.445 41.624 42.059 0.017 0.000 0.904 1080 L HN 0.215 nan 8.230 nan 0.000 0.435 1081 R N -0.121 120.385 120.500 0.009 0.000 2.081 1081 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 1081 R C 2.284 178.601 176.300 0.028 0.000 1.131 1081 R CA 0.925 57.027 56.100 0.004 0.000 0.960 1081 R CB -0.143 30.146 30.300 -0.017 0.000 0.856 1081 R HN 0.217 nan 8.270 nan 0.000 0.436 1082 K N 0.376 120.804 120.400 0.046 0.000 2.148 1082 K HA -0.028 4.292 4.320 -0.001 0.000 0.204 1082 K C 2.025 178.723 176.600 0.163 0.000 1.050 1082 K CA 1.197 57.538 56.287 0.090 0.000 0.942 1082 K CB -0.160 32.388 32.500 0.080 0.000 0.724 1082 K HN 0.142 nan 8.250 nan 0.000 0.446 1083 A N 1.604 124.555 122.820 0.219 0.000 1.898 1083 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 1083 A C 2.137 179.756 177.584 0.059 0.000 1.181 1083 A CA 1.368 53.512 52.037 0.178 0.000 0.620 1083 A CB -0.288 18.851 19.000 0.231 0.000 0.819 1083 A HN 0.247 nan 8.150 nan 0.000 0.442 1084 E N 0.267 120.495 120.200 0.046 0.000 2.150 1084 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 1084 E C 1.775 178.381 176.600 0.010 0.000 0.985 1084 E CA 1.280 57.687 56.400 0.012 0.000 0.814 1084 E CB -0.150 29.551 29.700 0.001 0.000 0.752 1084 E HN 0.762 nan 8.360 nan 0.000 0.466 1085 E N 0.208 120.422 120.200 0.023 0.000 2.106 1085 E HA -0.118 4.232 4.350 -0.001 0.000 0.192 1085 E C 2.345 178.956 176.600 0.019 0.000 0.984 1085 E CA 0.684 57.095 56.400 0.019 0.000 0.806 1085 E CB -0.006 29.709 29.700 0.026 0.000 0.750 1085 E HN 0.252 nan 8.360 nan 0.000 0.458 1086 L N 0.309 121.548 121.223 0.027 0.000 2.046 1086 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 1086 L C 2.226 179.090 176.870 -0.009 0.000 1.077 1086 L CA 0.508 55.355 54.840 0.013 0.000 0.747 1086 L CB -0.238 41.824 42.059 0.006 0.000 0.896 1086 L HN 0.168 nan 8.230 nan 0.000 0.432 1087 L N -0.179 121.033 121.223 -0.019 0.000 2.093 1087 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 1087 L C 2.105 178.962 176.870 -0.023 0.000 1.085 1087 L CA 1.721 56.540 54.840 -0.035 0.000 0.755 1087 L CB -0.787 41.247 42.059 -0.041 0.000 0.904 1087 L HN 0.248 nan 8.230 nan 0.000 0.435 1088 D N -1.282 119.111 120.400 -0.011 0.000 2.144 1088 D HA -0.171 4.469 4.640 -0.001 0.000 0.200 1088 D C 1.791 178.089 176.300 -0.002 0.000 0.978 1088 D CA 0.772 54.768 54.000 -0.006 0.000 0.833 1088 D CB 0.162 40.961 40.800 -0.002 0.000 0.961 1088 D HN 0.224 nan 8.370 nan 0.000 0.470 1089 Q N 0.084 119.884 119.800 0.001 0.000 2.466 1089 Q HA 0.010 4.350 4.340 -0.001 0.000 0.210 1089 Q C 0.208 176.210 176.000 0.004 0.000 0.961 1089 Q CA 0.191 55.997 55.803 0.005 0.000 0.953 1089 Q CB -0.078 28.666 28.738 0.011 0.000 1.011 1089 Q HN 0.319 nan 8.270 nan 0.000 0.516 1090 N N -0.617 118.082 118.700 -0.002 0.000 2.776 1090 N HA -0.154 4.586 4.740 -0.001 0.000 0.249 1090 N C -1.322 174.193 175.510 0.008 0.000 1.111 1090 N CA 0.300 53.350 53.050 0.000 0.000 0.711 1090 N CB -1.150 37.342 38.487 0.008 0.000 1.065 1090 N HN -0.025 nan 8.380 nan 0.000 0.556 1091 V N 1.926 121.840 119.914 -0.001 0.000 2.385 1091 V HA 0.126 4.245 4.120 -0.001 0.000 0.269 1091 V C 0.935 177.029 176.094 0.000 0.000 1.043 1091 V CA -0.729 61.577 62.300 0.009 0.000 0.906 1091 V CB 1.016 32.836 31.823 -0.005 0.000 0.995 1091 V HN 0.327 nan 8.190 nan 0.000 0.467 1092 H N 8.340 127.390 119.070 -0.032 0.000 3.034 1092 H HA 0.040 4.596 4.556 -0.001 0.000 0.324 1092 H C -1.685 173.612 175.328 -0.052 0.000 1.015 1092 H CA -1.221 54.806 56.048 -0.034 0.000 1.429 1092 H CB 1.644 31.389 29.762 -0.028 0.000 1.429 1092 H HN 0.380 nan 8.280 nan 0.000 0.585 1093 P HA -0.178 nan 4.420 nan 0.000 0.217 1093 P C 1.523 178.853 177.300 0.050 0.000 1.148 1093 P CA 1.800 64.837 63.100 -0.106 0.000 0.834 1093 P CB 0.069 31.665 31.700 -0.174 0.000 0.783 1094 T N -1.745 113.002 114.554 0.321 0.000 2.915 1094 T HA -0.078 4.271 4.350 -0.001 0.000 0.269 1094 T C 1.571 176.296 174.700 0.040 0.000 1.071 1094 T CA 0.756 62.947 62.100 0.152 0.000 1.132 1094 T CB -0.515 68.403 68.868 0.084 0.000 0.878 1094 T HN -0.149 nan 8.240 nan 0.000 0.479 1095 I N 0.719 121.319 120.570 0.049 0.000 2.333 1095 I HA -0.014 4.156 4.170 -0.001 0.000 0.246 1095 I C 2.539 178.593 176.117 -0.105 0.000 1.106 1095 I CA 0.814 62.102 61.300 -0.019 0.000 1.411 1095 I CB -1.315 36.688 38.000 0.004 0.000 1.082 1095 I HN 0.151 nan 8.210 nan 0.000 0.420 1096 V N 0.737 120.551 119.914 -0.167 0.000 2.343 1096 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 1096 V C 2.700 178.468 176.094 -0.542 0.000 1.051 1096 V CA 1.307 63.351 62.300 -0.427 0.000 1.036 1096 V CB -0.559 31.027 31.823 -0.395 0.000 0.654 1096 V HN 0.167 nan 8.190 nan 0.000 0.451 1097 V N 0.058 119.823 119.914 -0.249 0.000 2.261 1097 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 1097 V C 2.485 178.540 176.094 -0.066 0.000 1.047 1097 V CA 2.381 64.612 62.300 -0.116 0.000 1.015 1097 V CB -0.674 31.127 31.823 -0.037 0.000 0.642 1097 V HN 0.531 nan 8.190 nan 0.000 0.446 1098 K N 1.115 121.476 120.400 -0.065 0.000 2.026 1098 K HA -0.105 4.214 4.320 -0.001 0.000 0.208 1098 K C 2.051 178.627 176.600 -0.039 0.000 1.048 1098 K CA 1.945 58.208 56.287 -0.040 0.000 0.929 1098 K CB -1.167 31.312 32.500 -0.035 0.000 0.713 1098 K HN 0.387 nan 8.250 nan 0.000 0.439 1099 G N -0.807 107.963 108.800 -0.050 0.000 2.418 1099 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 1099 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 1099 G C 1.210 176.145 174.900 0.058 0.000 1.158 1099 G CA 0.836 45.939 45.100 0.005 0.000 0.771 1099 G HN 0.268 nan 8.290 nan 0.000 0.545 1100 Y N 0.406 120.629 120.300 -0.128 0.000 2.200 1100 Y HA -0.044 4.505 4.550 -0.001 0.000 0.290 1100 Y C 2.891 178.546 175.900 -0.409 0.000 1.137 1100 Y CA 1.077 59.016 58.100 -0.267 0.000 1.163 1100 Y CB -0.947 37.544 38.460 0.052 0.000 0.988 1100 Y HN 0.270 nan 8.280 nan 0.000 0.518 1101 Q N 0.320 120.108 119.800 -0.019 0.000 2.123 1101 Q HA -0.031 4.308 4.340 -0.001 0.000 0.199 1101 Q C 2.290 178.220 176.000 -0.118 0.000 0.966 1101 Q CA 1.530 57.301 55.803 -0.052 0.000 0.845 1101 Q CB -0.404 28.329 28.738 -0.008 0.000 0.907 1101 Q HN 0.329 nan 8.270 nan 0.000 0.439 1102 A N 0.269 123.017 122.820 -0.120 0.000 1.855 1102 A HA -0.005 4.314 4.320 -0.001 0.000 0.215 1102 A C 2.278 179.769 177.584 -0.156 0.000 1.191 1102 A CA 1.860 53.834 52.037 -0.106 0.000 0.613 1102 A CB -1.195 17.765 19.000 -0.066 0.000 0.829 1102 A HN 0.494 nan 8.150 nan 0.000 0.442 1103 A N -0.319 122.317 122.820 -0.307 0.000 1.930 1103 A HA 0.232 4.552 4.320 -0.001 0.000 0.217 1103 A C 2.458 179.793 177.584 -0.416 0.000 1.175 1103 A CA 1.874 53.683 52.037 -0.380 0.000 0.627 1103 A CB -0.904 17.731 19.000 -0.608 0.000 0.815 1103 A HN 1.028 nan 8.150 nan 0.000 0.443 1104 A N -1.077 121.364 122.820 -0.632 0.000 1.930 1104 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 1104 A C 2.098 179.662 177.584 -0.033 0.000 1.175 1104 A CA 1.544 53.473 52.037 -0.180 0.000 0.627 1104 A CB -0.399 18.545 19.000 -0.093 0.000 0.815 1104 A HN 0.481 nan 8.150 nan 0.000 0.443 1105 Q N -0.071 119.691 119.800 -0.063 0.000 2.119 1105 Q HA -0.111 4.228 4.340 -0.001 0.000 0.201 1105 Q C 1.751 177.759 176.000 0.013 0.000 0.972 1105 Q CA 1.210 57.003 55.803 -0.017 0.000 0.847 1105 Q CB -0.268 28.452 28.738 -0.031 0.000 0.903 1105 Q HN 0.516 nan 8.270 nan 0.000 0.433 1106 K N 0.228 120.645 120.400 0.027 0.000 2.167 1106 K HA 0.099 4.419 4.320 -0.001 0.000 0.203 1106 K C 1.946 178.635 176.600 0.148 0.000 1.052 1106 K CA 0.802 57.148 56.287 0.100 0.000 0.956 1106 K CB -0.103 32.504 32.500 0.179 0.000 0.735 1106 K HN 0.113 nan 8.250 nan 0.000 0.451 1107 A N 1.576 124.475 122.820 0.132 0.000 1.902 1107 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 1107 A C 2.131 179.779 177.584 0.107 0.000 1.181 1107 A CA 1.376 53.502 52.037 0.148 0.000 0.623 1107 A CB -0.382 18.756 19.000 0.229 0.000 0.818 1107 A HN 0.350 nan 8.150 nan 0.000 0.443 1108 Q N -0.882 118.970 119.800 0.087 0.000 2.172 1108 Q HA -0.123 4.216 4.340 -0.001 0.000 0.200 1108 Q C 1.882 177.916 176.000 0.057 0.000 0.964 1108 Q CA 1.098 56.940 55.803 0.064 0.000 0.855 1108 Q CB -0.089 28.679 28.738 0.051 0.000 0.918 1108 Q HN 0.581 nan 8.270 nan 0.000 0.444 1109 E N 0.531 120.768 120.200 0.062 0.000 2.110 1109 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 1109 E C 1.949 178.593 176.600 0.075 0.000 0.988 1109 E CA 0.799 57.234 56.400 0.058 0.000 0.804 1109 E CB 0.005 29.736 29.700 0.052 0.000 0.745 1109 E HN 0.218 nan 8.360 nan 0.000 0.458 1110 L N 0.456 121.740 121.223 0.100 0.000 2.093 1110 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 1110 L C 2.424 179.335 176.870 0.069 0.000 1.085 1110 L CA 1.123 56.023 54.840 0.100 0.000 0.755 1110 L CB -0.822 41.304 42.059 0.111 0.000 0.904 1110 L HN 0.095 nan 8.230 nan 0.000 0.435 1111 L N -1.030 120.230 121.223 0.062 0.000 2.093 1111 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 1111 L C 2.431 179.326 176.870 0.041 0.000 1.085 1111 L CA 1.196 56.064 54.840 0.047 0.000 0.755 1111 L CB -0.451 41.634 42.059 0.043 0.000 0.904 1111 L HN 0.231 nan 8.230 nan 0.000 0.435 1112 K N -0.774 119.651 120.400 0.041 0.000 2.155 1112 K HA -0.082 4.237 4.320 -0.001 0.000 0.203 1112 K C 2.045 178.666 176.600 0.034 0.000 1.052 1112 K CA 1.442 57.749 56.287 0.033 0.000 0.948 1112 K CB -0.134 32.384 32.500 0.030 0.000 0.728 1112 K HN 0.263 nan 8.250 nan 0.000 0.448 1113 T N 1.950 116.529 114.554 0.042 0.000 2.777 1113 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 1113 T C 1.852 176.574 174.700 0.037 0.000 1.040 1113 T CA 1.264 63.389 62.100 0.042 0.000 1.141 1113 T CB -0.120 68.782 68.868 0.057 0.000 0.868 1113 T HN 0.384 nan 8.240 nan 0.000 0.444 1114 I N -0.451 120.143 120.570 0.040 0.000 3.728 1114 I HA 0.473 4.643 4.170 -0.001 0.000 0.307 1114 I C 1.019 177.153 176.117 0.030 0.000 1.276 1114 I CA -0.597 60.725 61.300 0.037 0.000 1.285 1114 I CB -0.427 37.601 38.000 0.047 0.000 1.038 1114 I HN -0.056 nan 8.210 nan 0.000 0.445 1115 A N 1.501 124.338 122.820 0.028 0.000 2.567 1115 A HA 0.121 4.441 4.320 -0.001 0.000 0.240 1115 A C 0.098 177.694 177.584 0.019 0.000 1.053 1115 A CA 0.000 52.051 52.037 0.023 0.000 0.755 1115 A CB -0.184 18.829 19.000 0.022 0.000 0.978 1115 A HN 0.639 nan 8.150 nan 0.000 0.507 1116 C N 3.759 123.069 119.300 0.016 0.000 2.273 1116 C HA 0.448 4.907 4.460 -0.001 0.000 0.328 1116 C C 0.317 175.314 174.990 0.011 0.000 1.275 1116 C CA -0.682 58.344 59.018 0.013 0.000 1.704 1116 C CB -0.794 26.954 27.740 0.012 0.000 2.326 1116 C HN 0.881 nan 8.230 nan 0.000 0.517 1117 E N 3.689 123.895 120.200 0.010 0.000 2.316 1117 E HA 0.423 4.773 4.350 -0.001 0.000 0.275 1117 E C -0.113 176.492 176.600 0.007 0.000 1.029 1117 E CA -0.061 56.343 56.400 0.008 0.000 0.871 1117 E CB 1.165 30.870 29.700 0.008 0.000 1.022 1117 E HN 0.700 nan 8.360 nan 0.000 0.418 1118 V N -0.509 119.409 119.914 0.006 0.000 3.040 1118 V HA 0.730 4.849 4.120 -0.001 0.000 0.312 1118 V C 0.320 176.417 176.094 0.005 0.000 1.115 1118 V CA -1.134 61.169 62.300 0.005 0.000 0.998 1118 V CB 1.673 33.499 31.823 0.005 0.000 1.042 1118 V HN 0.660 nan 8.190 nan 0.000 0.433 1119 G N 0.612 109.414 108.800 0.004 0.000 2.365 1119 G HA2 0.482 4.441 3.960 -0.001 0.000 0.249 1119 G HA3 0.482 4.441 3.960 -0.001 0.000 0.249 1119 G C 0.965 175.867 174.900 0.004 0.000 1.288 1119 G CA 0.126 45.228 45.100 0.003 0.000 0.887 1119 G HN 1.657 nan 8.290 nan 0.000 0.524 1120 A N 2.342 125.165 122.820 0.004 0.000 1.940 1120 A HA -0.057 4.263 4.320 -0.001 0.000 0.219 1120 A C 1.942 179.528 177.584 0.004 0.000 1.176 1120 A CA 1.197 53.237 52.037 0.004 0.000 0.631 1120 A CB -0.002 19.001 19.000 0.004 0.000 0.814 1120 A HN 0.516 nan 8.150 nan 0.000 0.446 1121 Q N 0.005 119.807 119.800 0.003 0.000 2.201 1121 Q HA 0.107 4.447 4.340 -0.001 0.000 0.236 1121 Q C -0.945 175.056 176.000 0.002 0.000 0.857 1121 Q CA -0.132 55.673 55.803 0.003 0.000 1.025 1121 Q CB 0.027 28.767 28.738 0.003 0.000 1.124 1121 Q HN 0.720 nan 8.270 nan 0.000 0.473 1122 D N 0.728 121.129 120.400 0.002 0.000 2.344 1122 D HA 0.005 4.645 4.640 -0.001 0.000 0.253 1122 D C 1.250 177.551 176.300 0.001 0.000 1.255 1122 D CA 0.064 54.065 54.000 0.001 0.000 0.894 1122 D CB 0.884 41.685 40.800 0.001 0.000 1.067 1122 D HN -0.218 nan 8.370 nan 0.000 0.492 1123 K N 3.408 123.808 120.400 0.000 0.000 2.077 1123 K HA -0.293 4.027 4.320 -0.001 0.000 0.213 1123 K C 1.553 178.151 176.600 -0.002 0.000 1.051 1123 K CA 2.070 58.356 56.287 -0.001 0.000 0.929 1123 K CB -0.106 32.393 32.500 -0.001 0.000 0.715 1123 K HN 0.660 nan 8.250 nan 0.000 0.451 1124 E N -0.452 119.747 120.200 -0.003 0.000 2.023 1124 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 1124 E C 1.993 178.591 176.600 -0.004 0.000 1.003 1124 E CA 1.660 58.057 56.400 -0.004 0.000 0.809 1124 E CB -0.275 29.423 29.700 -0.004 0.000 0.755 1124 E HN 0.340 nan 8.360 nan 0.000 0.449 1125 I N 0.581 121.150 120.570 -0.002 0.000 2.454 1125 I HA -0.203 3.967 4.170 -0.001 0.000 0.254 1125 I C 1.877 177.995 176.117 0.000 0.000 1.156 1125 I CA 0.728 62.028 61.300 -0.000 0.000 1.433 1125 I CB -0.059 37.942 38.000 0.002 0.000 1.082 1125 I HN 0.212 nan 8.210 nan 0.000 0.432 1126 L N 0.063 121.286 121.223 -0.000 0.000 2.141 1126 L HA -0.141 4.199 4.340 -0.001 0.000 0.209 1126 L C 2.644 179.513 176.870 -0.001 0.000 1.094 1126 L CA 2.296 57.136 54.840 0.001 0.000 0.763 1126 L CB -1.564 40.495 42.059 0.001 0.000 0.908 1126 L HN 0.493 nan 8.230 nan 0.000 0.437 1127 T N -4.948 109.604 114.554 -0.003 0.000 3.035 1127 T HA -0.068 4.281 4.350 -0.001 0.000 0.259 1127 T C 1.898 176.593 174.700 -0.009 0.000 1.078 1127 T CA 0.436 62.532 62.100 -0.006 0.000 1.132 1127 T CB -0.064 68.799 68.868 -0.008 0.000 0.900 1127 T HN 0.178 nan 8.240 nan 0.000 0.480 1128 K N 0.615 121.010 120.400 -0.007 0.000 2.057 1128 K HA 0.098 4.418 4.320 -0.001 0.000 0.206 1128 K C 2.145 178.743 176.600 -0.003 0.000 1.050 1128 K CA 0.963 57.245 56.287 -0.008 0.000 0.935 1128 K CB -0.183 32.314 32.500 -0.006 0.000 0.715 1128 K HN 0.252 nan 8.250 nan 0.000 0.439 1129 I N 1.301 121.872 120.570 0.001 0.000 2.179 1129 I HA -0.218 3.951 4.170 -0.001 0.000 0.242 1129 I C 2.517 178.638 176.117 0.006 0.000 1.088 1129 I CA 1.265 62.568 61.300 0.005 0.000 1.357 1129 I CB -1.343 36.660 38.000 0.006 0.000 1.051 1129 I HN 0.104 nan 8.210 nan 0.000 0.409 1130 A N 0.770 123.592 122.820 0.003 0.000 1.865 1130 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 1130 A C 2.397 179.982 177.584 0.002 0.000 1.191 1130 A CA 1.895 53.934 52.037 0.003 0.000 0.623 1130 A CB -0.658 18.342 19.000 0.000 0.000 0.826 1130 A HN 0.355 nan 8.150 nan 0.000 0.444 1131 M N -0.838 118.759 119.600 -0.005 0.000 2.159 1131 M HA -0.122 4.357 4.480 -0.001 0.000 0.263 1131 M C 2.208 178.505 176.300 -0.006 0.000 1.063 1131 M CA 1.791 57.083 55.300 -0.014 0.000 1.110 1131 M CB -0.641 31.940 32.600 -0.031 0.000 1.374 1131 M HN 0.472 nan 8.290 nan 0.000 0.411 1132 T N -0.245 114.312 114.554 0.004 0.000 2.665 1132 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 1132 T C 1.954 176.679 174.700 0.043 0.000 1.035 1132 T CA 2.020 64.136 62.100 0.026 0.000 1.151 1132 T CB -0.320 68.564 68.868 0.026 0.000 0.862 1132 T HN 0.398 nan 8.240 nan 0.000 0.438 1133 S N 0.204 115.921 115.700 0.029 0.000 2.371 1133 S HA 0.034 4.504 4.470 -0.001 0.000 0.224 1133 S C 2.057 176.679 174.600 0.037 0.000 1.029 1133 S CA 0.568 58.787 58.200 0.031 0.000 0.978 1133 S CB -0.429 62.784 63.200 0.021 0.000 0.833 1133 S HN 0.451 nan 8.310 nan 0.000 0.466 1134 I N 1.679 122.266 120.570 0.028 0.000 2.226 1134 I HA -0.105 4.065 4.170 -0.001 0.000 0.245 1134 I C 1.322 177.466 176.117 0.045 0.000 1.100 1134 I CA 0.966 62.282 61.300 0.026 0.000 1.374 1134 I CB -0.935 37.071 38.000 0.010 0.000 1.057 1134 I HN 0.415 nan 8.210 nan 0.000 0.413 1135 T N -0.405 114.182 114.554 0.055 0.000 2.903 1135 T HA 0.325 4.675 4.350 -0.001 0.000 0.314 1135 T C 1.083 175.912 174.700 0.215 0.000 1.078 1135 T CA 0.090 62.251 62.100 0.101 0.000 1.114 1135 T CB 1.224 70.117 68.868 0.042 0.000 0.987 1135 T HN 0.637 nan 8.240 nan 0.000 0.548 1136 G N 0.495 109.472 108.800 0.294 0.000 2.141 1136 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.242 1136 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.242 1136 G C -0.134 174.832 174.900 0.109 0.000 0.982 1136 G CA 0.316 45.548 45.100 0.220 0.000 0.662 1136 G HN 0.947 nan 8.290 nan 0.000 0.527 1137 K N -0.200 120.257 120.400 0.095 0.000 2.328 1137 K HA 0.707 5.027 4.320 -0.001 0.000 0.246 1137 K C 1.565 178.196 176.600 0.052 0.000 0.955 1137 K CA 0.179 56.500 56.287 0.058 0.000 0.817 1137 K CB 0.971 33.498 32.500 0.045 0.000 1.208 1137 K HN 0.281 nan 8.250 nan 0.000 0.432 1138 G N 1.148 109.972 108.800 0.039 0.000 2.450 1138 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.220 1138 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.220 1138 G C 1.048 175.965 174.900 0.028 0.000 1.130 1138 G CA 1.034 46.154 45.100 0.033 0.000 0.760 1138 G HN 0.638 nan 8.290 nan 0.000 0.557 1139 A N 1.345 124.181 122.820 0.027 0.000 2.209 1139 A HA 0.092 4.412 4.320 -0.001 0.000 0.212 1139 A C 2.089 179.683 177.584 0.015 0.000 1.158 1139 A CA 1.494 53.544 52.037 0.020 0.000 0.742 1139 A CB -0.380 18.632 19.000 0.020 0.000 0.790 1139 A HN 0.660 nan 8.150 nan 0.000 0.472 1140 E N 1.379 121.590 120.200 0.019 0.000 2.333 1140 E HA -0.283 4.067 4.350 -0.001 0.000 0.198 1140 E C 1.557 178.153 176.600 -0.006 0.000 1.007 1140 E CA 1.301 57.704 56.400 0.005 0.000 0.845 1140 E CB -0.540 29.165 29.700 0.009 0.000 0.766 1140 E HN 0.792 nan 8.360 nan 0.000 0.507 1141 K N 0.800 121.201 120.400 0.002 0.000 2.281 1141 K HA -0.080 4.240 4.320 -0.001 0.000 0.203 1141 K C 1.466 178.062 176.600 -0.005 0.000 1.046 1141 K CA 1.464 57.750 56.287 -0.002 0.000 0.938 1141 K CB -0.008 32.495 32.500 0.005 0.000 0.737 1141 K HN 0.164 nan 8.250 nan 0.000 0.458 1142 A N 1.786 124.604 122.820 -0.003 0.000 2.606 1142 A HA 0.137 4.457 4.320 -0.001 0.000 0.290 1142 A C 1.346 178.927 177.584 -0.006 0.000 1.174 1142 A CA -0.563 51.472 52.037 -0.004 0.000 0.958 1142 A CB -0.041 18.960 19.000 0.001 0.000 1.194 1142 A HN 0.413 nan 8.150 nan 0.000 0.526 1143 K N 0.185 120.579 120.400 -0.011 0.000 2.281 1143 K HA -0.198 4.122 4.320 -0.001 0.000 0.203 1143 K C 0.834 177.425 176.600 -0.015 0.000 1.046 1143 K CA 1.906 58.185 56.287 -0.014 0.000 0.938 1143 K CB -0.114 32.370 32.500 -0.026 0.000 0.737 1143 K HN 0.313 nan 8.250 nan 0.000 0.458 1144 E N 1.297 121.487 120.200 -0.016 0.000 2.072 1144 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 1144 E C 1.754 178.349 176.600 -0.008 0.000 0.982 1144 E CA 1.243 57.635 56.400 -0.014 0.000 0.803 1144 E CB 0.050 29.741 29.700 -0.015 0.000 0.755 1144 E HN 0.258 nan 8.360 nan 0.000 0.453 1145 K N 0.330 120.727 120.400 -0.005 0.000 2.057 1145 K HA 0.006 4.326 4.320 -0.001 0.000 0.206 1145 K C 1.971 178.571 176.600 0.001 0.000 1.050 1145 K CA 0.750 57.036 56.287 -0.001 0.000 0.935 1145 K CB -0.305 32.195 32.500 0.001 0.000 0.715 1145 K HN 0.057 nan 8.250 nan 0.000 0.439 1146 L N 0.103 121.326 121.223 0.000 0.000 2.046 1146 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 1146 L C 2.373 179.244 176.870 0.001 0.000 1.077 1146 L CA 1.406 56.247 54.840 0.002 0.000 0.747 1146 L CB -0.603 41.457 42.059 0.003 0.000 0.896 1146 L HN 0.196 nan 8.230 nan 0.000 0.432 1147 A N -0.242 122.577 122.820 -0.002 0.000 1.933 1147 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 1147 A C 2.176 179.759 177.584 -0.001 0.000 1.175 1147 A CA 1.809 53.845 52.037 -0.003 0.000 0.628 1147 A CB -0.427 18.569 19.000 -0.007 0.000 0.814 1147 A HN 0.387 nan 8.150 nan 0.000 0.444 1148 E N 0.198 120.397 120.200 -0.001 0.000 2.051 1148 E HA -0.161 4.189 4.350 -0.001 0.000 0.192 1148 E C 1.755 178.357 176.600 0.003 0.000 0.991 1148 E CA 1.421 57.821 56.400 0.000 0.000 0.799 1148 E CB -0.229 29.471 29.700 -0.000 0.000 0.748 1148 E HN 0.468 nan 8.360 nan 0.000 0.449 1149 I N 0.277 120.849 120.570 0.004 0.000 2.226 1149 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 1149 I C 2.136 178.256 176.117 0.006 0.000 1.100 1149 I CA 0.955 62.259 61.300 0.006 0.000 1.374 1149 I CB -0.799 37.206 38.000 0.008 0.000 1.057 1149 I HN 0.197 nan 8.210 nan 0.000 0.413 1150 I N -0.063 120.510 120.570 0.004 0.000 2.406 1150 I HA -0.149 4.021 4.170 -0.001 0.000 0.249 1150 I C 2.487 178.606 176.117 0.004 0.000 1.122 1150 I CA 0.897 62.200 61.300 0.004 0.000 1.431 1150 I CB -0.404 37.598 38.000 0.004 0.000 1.087 1150 I HN -0.095 nan 8.210 nan 0.000 0.424 1151 V N 0.279 120.195 119.914 0.003 0.000 2.358 1151 V HA -0.197 3.922 4.120 -0.001 0.000 0.246 1151 V C 2.449 178.545 176.094 0.004 0.000 1.047 1151 V CA 1.528 63.830 62.300 0.003 0.000 1.035 1151 V CB -0.581 31.243 31.823 0.002 0.000 0.658 1151 V HN 0.380 nan 8.190 nan 0.000 0.452 1152 E N 0.388 120.591 120.200 0.004 0.000 2.072 1152 E HA -0.133 4.217 4.350 -0.001 0.000 0.191 1152 E C 2.378 178.982 176.600 0.006 0.000 0.985 1152 E CA 1.416 57.819 56.400 0.005 0.000 0.801 1152 E CB -0.459 29.244 29.700 0.006 0.000 0.750 1152 E HN 0.555 nan 8.360 nan 0.000 0.452 1153 A N 1.136 123.960 122.820 0.006 0.000 1.902 1153 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 1153 A C 2.623 180.210 177.584 0.005 0.000 1.181 1153 A CA 1.448 53.488 52.037 0.006 0.000 0.623 1153 A CB -0.689 18.314 19.000 0.005 0.000 0.818 1153 A HN 0.124 nan 8.150 nan 0.000 0.443 1154 V N -0.259 119.658 119.914 0.004 0.000 2.261 1154 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 1154 V C 2.762 178.859 176.094 0.005 0.000 1.047 1154 V CA 2.368 64.671 62.300 0.004 0.000 1.015 1154 V CB -0.833 30.993 31.823 0.004 0.000 0.642 1154 V HN 0.549 nan 8.190 nan 0.000 0.446 1155 S N 0.011 115.714 115.700 0.005 0.000 2.419 1155 S HA -0.125 4.344 4.470 -0.001 0.000 0.233 1155 S C 2.137 176.742 174.600 0.007 0.000 1.016 1155 S CA 1.238 59.441 58.200 0.006 0.000 0.974 1155 S CB -0.394 62.809 63.200 0.006 0.000 0.786 1155 S HN 0.645 nan 8.310 nan 0.000 0.492 1156 A N 1.056 123.880 122.820 0.008 0.000 1.930 1156 A HA -0.019 4.300 4.320 -0.001 0.000 0.217 1156 A C 2.240 179.830 177.584 0.011 0.000 1.175 1156 A CA 1.653 53.696 52.037 0.010 0.000 0.627 1156 A CB -0.537 18.469 19.000 0.009 0.000 0.815 1156 A HN 0.580 nan 8.150 nan 0.000 0.443 1157 V N -3.655 116.263 119.914 0.008 0.000 3.660 1157 V HA 0.134 4.254 4.120 -0.001 0.000 0.276 1157 V C 1.871 177.969 176.094 0.006 0.000 1.317 1157 V CA 0.870 63.174 62.300 0.007 0.000 1.097 1157 V CB -0.302 31.523 31.823 0.004 0.000 0.863 1157 V HN 0.155 nan 8.190 nan 0.000 0.438 1158 V N 0.999 120.917 119.914 0.006 0.000 2.568 1158 V HA -0.184 3.935 4.120 -0.001 0.000 0.253 1158 V C 1.624 177.721 176.094 0.006 0.000 1.072 1158 V CA 2.603 64.906 62.300 0.005 0.000 1.084 1158 V CB -0.596 31.230 31.823 0.005 0.000 0.676 1158 V HN 0.897 nan 8.190 nan 0.000 0.469 1159 D N -1.056 119.348 120.400 0.008 0.000 4.438 1159 D HA -0.222 4.417 4.640 -0.001 0.000 0.158 1159 D C 0.617 176.921 176.300 0.007 0.000 0.686 1159 D CA 1.920 55.925 54.000 0.008 0.000 1.183 1159 D CB -1.234 39.569 40.800 0.005 0.000 0.623 1159 D HN 0.573 nan 8.370 nan 0.000 0.521 1160 D N 1.620 122.022 120.400 0.004 0.000 2.414 1160 D HA 0.216 4.856 4.640 -0.001 0.000 0.251 1160 D C -0.200 176.102 176.300 0.004 0.000 1.252 1160 D CA 0.300 54.302 54.000 0.003 0.000 0.999 1160 D CB 0.407 41.208 40.800 0.002 0.000 1.093 1160 D HN 0.199 nan 8.370 nan 0.000 0.515 1161 E N -0.303 119.899 120.200 0.003 0.000 2.373 1161 E HA 0.549 4.899 4.350 -0.001 0.000 0.233 1161 E C -0.239 176.363 176.600 0.003 0.000 1.035 1161 E CA -0.622 55.780 56.400 0.004 0.000 0.930 1161 E CB 0.626 30.329 29.700 0.004 0.000 1.278 1161 E HN 0.450 nan 8.360 nan 0.000 0.452 1162 G N 1.454 110.256 108.800 0.003 0.000 2.340 1162 G HA2 0.259 4.218 3.960 -0.001 0.000 0.298 1162 G HA3 0.259 4.218 3.960 -0.001 0.000 0.298 1162 G C -1.745 173.157 174.900 0.003 0.000 1.498 1162 G CA -0.736 44.366 45.100 0.003 0.000 0.847 1162 G HN 0.021 nan 8.290 nan 0.000 0.594 1163 K N 0.467 120.869 120.400 0.003 0.000 2.550 1163 K HA 0.541 4.861 4.320 -0.001 0.000 0.252 1163 K C -1.384 175.218 176.600 0.003 0.000 0.943 1163 K CA -0.542 55.747 56.287 0.003 0.000 0.806 1163 K CB 2.261 34.763 32.500 0.002 0.000 1.289 1163 K HN 0.512 nan 8.250 nan 0.000 0.435 1164 V N 3.416 123.332 119.914 0.003 0.000 2.370 1164 V HA 0.205 4.325 4.120 -0.001 0.000 0.279 1164 V C -0.249 175.846 176.094 0.002 0.000 1.029 1164 V CA -0.717 61.585 62.300 0.002 0.000 0.870 1164 V CB 1.318 33.143 31.823 0.003 0.000 0.984 1164 V HN 0.606 nan 8.190 nan 0.000 0.451 1165 D N 4.024 124.424 120.400 0.001 0.000 2.427 1165 D HA 0.198 4.837 4.640 -0.001 0.000 0.226 1165 D C 0.975 177.274 176.300 -0.002 0.000 1.076 1165 D CA -0.386 53.614 54.000 -0.001 0.000 0.849 1165 D CB 1.425 42.224 40.800 -0.002 0.000 1.052 1165 D HN 0.511 nan 8.370 nan 0.000 0.515 1166 K N 2.755 123.154 120.400 -0.002 0.000 2.160 1166 K HA -0.231 4.088 4.320 -0.001 0.000 0.206 1166 K C 0.964 177.561 176.600 -0.006 0.000 1.047 1166 K CA 1.322 57.607 56.287 -0.003 0.000 0.930 1166 K CB 0.161 32.660 32.500 -0.002 0.000 0.720 1166 K HN 0.331 nan 8.250 nan 0.000 0.450 1167 D N 0.191 120.587 120.400 -0.007 0.000 2.309 1167 D HA -0.110 4.530 4.640 -0.001 0.000 0.212 1167 D C 1.388 177.681 176.300 -0.012 0.000 0.968 1167 D CA 0.700 54.694 54.000 -0.010 0.000 0.882 1167 D CB 0.129 40.923 40.800 -0.010 0.000 0.918 1167 D HN 0.263 nan 8.370 nan 0.000 0.503 1168 L N -0.304 120.913 121.223 -0.009 0.000 2.554 1168 L HA 0.172 4.512 4.340 -0.001 0.000 0.226 1168 L C 0.369 177.233 176.870 -0.010 0.000 1.137 1168 L CA 0.179 55.014 54.840 -0.009 0.000 0.863 1168 L CB 0.087 42.143 42.059 -0.004 0.000 0.985 1168 L HN 0.009 nan 8.230 nan 0.000 0.451 1169 I N 0.270 120.834 120.570 -0.010 0.000 2.382 1169 I HA 0.235 4.405 4.170 -0.001 0.000 0.286 1169 I C 0.075 176.182 176.117 -0.015 0.000 1.002 1169 I CA -0.460 60.834 61.300 -0.010 0.000 1.135 1169 I CB 1.681 39.678 38.000 -0.005 0.000 1.288 1169 I HN -0.113 nan 8.210 nan 0.000 0.448 1170 K N 6.626 127.013 120.400 -0.021 0.000 2.172 1170 K HA 0.427 4.747 4.320 -0.001 0.000 0.276 1170 K C -0.705 175.881 176.600 -0.023 0.000 1.013 1170 K CA -0.595 55.676 56.287 -0.028 0.000 0.913 1170 K CB 1.266 33.741 32.500 -0.042 0.000 1.055 1170 K HN 0.452 nan 8.250 nan 0.000 0.461 1171 I N 3.975 124.533 120.570 -0.021 0.000 2.307 1171 I HA 0.174 4.344 4.170 -0.001 0.000 0.287 1171 I C 0.100 176.203 176.117 -0.022 0.000 1.054 1171 I CA -0.583 60.707 61.300 -0.016 0.000 1.218 1171 I CB 0.580 38.574 38.000 -0.010 0.000 1.398 1171 I HN 0.517 nan 8.210 nan 0.000 0.475 1172 E N 7.313 127.498 120.200 -0.025 0.000 2.199 1172 E HA 0.548 4.898 4.350 -0.001 0.000 0.269 1172 E C -0.947 175.642 176.600 -0.019 0.000 0.899 1172 E CA -0.745 55.636 56.400 -0.032 0.000 0.772 1172 E CB 1.403 31.071 29.700 -0.054 0.000 1.155 1172 E HN 0.541 nan 8.360 nan 0.000 0.408 1173 K N 2.911 123.299 120.400 -0.019 0.000 2.471 1173 K HA 0.613 4.932 4.320 -0.001 0.000 0.252 1173 K C -0.929 175.663 176.600 -0.014 0.000 0.938 1173 K CA -1.104 55.176 56.287 -0.011 0.000 0.796 1173 K CB 1.591 34.086 32.500 -0.009 0.000 1.161 1173 K HN 0.097 nan 8.250 nan 0.000 0.425 1174 K N 2.028 122.424 120.400 -0.006 0.000 2.507 1174 K HA 0.218 4.537 4.320 -0.001 0.000 0.251 1174 K C -0.644 175.955 176.600 -0.002 0.000 0.943 1174 K CA -0.583 55.702 56.287 -0.005 0.000 0.794 1174 K CB 2.138 34.644 32.500 0.009 0.000 1.188 1174 K HN 0.992 nan 8.250 nan 0.000 0.428 1175 S N 0.430 116.121 115.700 -0.014 0.000 2.584 1175 S HA 0.674 5.144 4.470 -0.001 0.000 0.270 1175 S C 0.565 175.164 174.600 -0.001 0.000 1.346 1175 S CA 0.326 58.519 58.200 -0.013 0.000 1.018 1175 S CB 0.822 64.005 63.200 -0.029 0.000 0.899 1175 S HN 0.931 nan 8.310 nan 0.000 0.542 1176 G N -0.194 108.607 108.800 0.002 0.000 2.640 1176 G HA2 0.475 4.435 3.960 -0.001 0.000 0.686 1176 G HA3 0.475 4.435 3.960 -0.001 0.000 0.686 1176 G C -0.042 174.864 174.900 0.010 0.000 1.229 1176 G CA -0.125 44.980 45.100 0.007 0.000 0.796 1176 G HN 2.406 nan 8.290 nan 0.000 0.654 1177 A N -0.333 122.493 122.820 0.009 0.000 5.953 1177 A HA 0.387 4.707 4.320 -0.001 0.000 0.267 1177 A C 1.186 178.776 177.584 0.009 0.000 2.116 1177 A CA 1.970 54.013 52.037 0.010 0.000 0.711 1177 A CB -1.624 17.383 19.000 0.012 0.000 1.100 1177 A HN 2.749 nan 8.150 nan 0.000 0.364 1178 S N -2.832 112.873 115.700 0.009 0.000 2.851 1178 S HA 0.691 5.161 4.470 -0.001 0.000 0.317 1178 S C 1.197 175.803 174.600 0.010 0.000 1.144 1178 S CA -0.109 58.097 58.200 0.010 0.000 0.862 1178 S CB 0.628 63.833 63.200 0.008 0.000 1.259 1178 S HN 1.019 nan 8.310 nan 0.000 0.564 1179 I N 2.010 122.586 120.570 0.010 0.000 2.546 1179 I HA -0.033 4.136 4.170 -0.001 0.000 0.255 1179 I C 1.514 177.636 176.117 0.009 0.000 1.163 1179 I CA 1.182 62.488 61.300 0.010 0.000 1.457 1179 I CB -1.347 36.659 38.000 0.011 0.000 1.092 1179 I HN 0.586 nan 8.210 nan 0.000 0.434 1180 D N 1.246 121.650 120.400 0.007 0.000 2.218 1180 D HA -0.172 4.468 4.640 -0.001 0.000 0.204 1180 D C 1.341 177.646 176.300 0.007 0.000 0.976 1180 D CA 1.193 55.196 54.000 0.005 0.000 0.853 1180 D CB -0.116 40.687 40.800 0.004 0.000 0.939 1180 D HN 0.432 nan 8.370 nan 0.000 0.481 1181 D N -0.176 120.230 120.400 0.009 0.000 2.347 1181 D HA -0.034 4.605 4.640 -0.001 0.000 0.215 1181 D C 0.329 176.639 176.300 0.016 0.000 0.976 1181 D CA 0.425 54.431 54.000 0.012 0.000 0.884 1181 D CB -0.014 40.794 40.800 0.012 0.000 0.915 1181 D HN -0.045 nan 8.370 nan 0.000 0.526 1182 T N 1.784 116.348 114.554 0.016 0.000 2.905 1182 T HA 0.063 4.413 4.350 -0.001 0.000 0.299 1182 T C 0.228 174.939 174.700 0.020 0.000 1.024 1182 T CA 0.381 62.492 62.100 0.019 0.000 1.151 1182 T CB 0.225 69.101 68.868 0.014 0.000 0.987 1182 T HN 0.302 nan 8.240 nan 0.000 0.535 1183 E N 2.042 122.258 120.200 0.027 0.000 2.408 1183 E HA 0.596 4.946 4.350 -0.001 0.000 0.275 1183 E C -1.489 175.131 176.600 0.033 0.000 0.935 1183 E CA -1.188 55.229 56.400 0.029 0.000 0.775 1183 E CB 1.304 31.024 29.700 0.034 0.000 1.277 1183 E HN 0.326 nan 8.360 nan 0.000 0.455 1184 L N 2.511 123.752 121.223 0.028 0.000 2.275 1184 L HA 0.484 4.824 4.340 -0.001 0.000 0.288 1184 L C -1.234 175.659 176.870 0.038 0.000 1.046 1184 L CA -0.390 54.467 54.840 0.028 0.000 0.805 1184 L CB 0.882 42.952 42.059 0.018 0.000 1.193 1184 L HN 0.610 nan 8.230 nan 0.000 0.426 1185 I N 5.220 125.819 120.570 0.047 0.000 2.359 1185 I HA 0.257 4.427 4.170 -0.001 0.000 0.284 1185 I C -0.128 176.017 176.117 0.047 0.000 1.018 1185 I CA -0.854 60.486 61.300 0.068 0.000 1.173 1185 I CB 0.995 39.069 38.000 0.124 0.000 1.326 1185 I HN 0.477 nan 8.210 nan 0.000 0.462 1186 K N 5.299 125.722 120.400 0.039 0.000 2.081 1186 K HA 0.441 4.761 4.320 -0.001 0.000 0.230 1186 K C 0.306 176.924 176.600 0.029 0.000 1.199 1186 K CA -0.077 56.226 56.287 0.026 0.000 1.130 1186 K CB -0.032 32.479 32.500 0.018 0.000 1.386 1186 K HN 0.848 nan 8.250 nan 0.000 0.280 1187 G N -1.252 107.564 108.800 0.027 0.000 2.335 1187 G HA2 0.267 4.227 3.960 -0.001 0.000 0.291 1187 G HA3 0.267 4.227 3.960 -0.001 0.000 0.291 1187 G C -1.704 173.194 174.900 -0.003 0.000 1.261 1187 G CA -0.804 44.310 45.100 0.022 0.000 0.871 1187 G HN 0.033 nan 8.290 nan 0.000 0.491 1188 V N 0.715 120.615 119.914 -0.022 0.000 2.409 1188 V HA 0.655 4.775 4.120 -0.001 0.000 0.291 1188 V C -0.718 175.301 176.094 -0.126 0.000 1.020 1188 V CA -0.603 61.651 62.300 -0.077 0.000 0.848 1188 V CB 1.241 33.001 31.823 -0.106 0.000 0.990 1188 V HN 0.818 nan 8.190 nan 0.000 0.430 1189 L N 7.910 129.017 121.223 -0.193 0.000 2.313 1189 L HA 0.852 5.192 4.340 -0.001 0.000 0.283 1189 L C -0.350 176.357 176.870 -0.271 0.000 1.013 1189 L CA -0.151 54.464 54.840 -0.375 0.000 0.816 1189 L CB 1.752 43.490 42.059 -0.535 0.000 1.236 1189 L HN 0.562 nan 8.230 nan 0.000 0.419 1190 V N 1.533 121.297 119.914 -0.250 0.000 2.864 1190 V HA 0.610 4.730 4.120 -0.001 0.000 0.314 1190 V C -0.357 175.663 176.094 -0.123 0.000 1.073 1190 V CA -0.516 61.697 62.300 -0.145 0.000 0.956 1190 V CB 1.857 33.631 31.823 -0.082 0.000 1.023 1190 V HN 0.828 nan 8.190 nan 0.000 0.435 1191 D N 1.057 121.412 120.400 -0.076 0.000 3.085 1191 D HA 0.286 4.926 4.640 -0.001 0.000 0.243 1191 D C -0.152 176.142 176.300 -0.010 0.000 1.232 1191 D CA -0.275 53.696 54.000 -0.048 0.000 0.913 1191 D CB 0.308 41.084 40.800 -0.040 0.000 1.108 1191 D HN 0.528 nan 8.370 nan 0.000 0.468 1192 K N 0.473 120.879 120.400 0.009 0.000 2.340 1192 K HA 0.418 4.738 4.320 -0.001 0.000 0.244 1192 K C 0.161 176.785 176.600 0.041 0.000 0.973 1192 K CA -0.810 55.500 56.287 0.038 0.000 0.828 1192 K CB 2.270 34.822 32.500 0.087 0.000 1.226 1192 K HN 0.265 nan 8.250 nan 0.000 0.437 1193 E N 0.546 120.763 120.200 0.029 0.000 2.334 1193 E HA 0.489 4.839 4.350 -0.001 0.000 0.256 1193 E C -0.657 175.943 176.600 0.000 0.000 0.958 1193 E CA -1.153 55.261 56.400 0.023 0.000 0.821 1193 E CB 0.900 30.610 29.700 0.017 0.000 1.269 1193 E HN 0.091 nan 8.360 nan 0.000 0.413 1194 R N 1.203 121.700 120.500 -0.006 0.000 2.242 1194 R HA 0.083 4.423 4.340 -0.001 0.000 0.334 1194 R C 0.853 177.134 176.300 -0.032 0.000 1.071 1194 R CA -0.154 55.928 56.100 -0.030 0.000 0.922 1194 R CB 0.876 31.163 30.300 -0.022 0.000 1.023 1194 R HN 0.581 nan 8.270 nan 0.000 0.458 1195 V N 1.977 121.862 119.914 -0.048 0.000 2.546 1195 V HA -0.177 3.943 4.120 -0.001 0.000 0.254 1195 V C 0.737 176.801 176.094 -0.050 0.000 1.076 1195 V CA 2.010 64.280 62.300 -0.050 0.000 1.087 1195 V CB 0.031 31.816 31.823 -0.065 0.000 0.674 1195 V HN 0.714 nan 8.190 nan 0.000 0.470 1196 S N -2.207 113.467 115.700 -0.044 0.000 2.536 1196 S HA 0.671 5.141 4.470 -0.001 0.000 0.287 1196 S C 0.749 175.342 174.600 -0.012 0.000 1.101 1196 S CA -0.183 57.997 58.200 -0.032 0.000 0.950 1196 S CB 1.840 65.017 63.200 -0.038 0.000 1.056 1196 S HN 0.516 nan 8.310 nan 0.000 0.481 1197 A N 2.988 125.807 122.820 -0.002 0.000 2.125 1197 A HA -0.069 4.250 4.320 -0.001 0.000 0.219 1197 A C 1.868 179.459 177.584 0.011 0.000 1.156 1197 A CA 1.625 53.666 52.037 0.006 0.000 0.671 1197 A CB -0.586 18.420 19.000 0.009 0.000 0.794 1197 A HN 0.894 nan 8.150 nan 0.000 0.459 1198 Q N -1.088 118.723 119.800 0.018 0.000 2.389 1198 Q HA 0.119 4.458 4.340 -0.001 0.000 0.204 1198 Q C 0.487 176.498 176.000 0.018 0.000 0.944 1198 Q CA 0.044 55.863 55.803 0.026 0.000 0.908 1198 Q CB -0.062 28.706 28.738 0.050 0.000 1.002 1198 Q HN 0.684 nan 8.270 nan 0.000 0.493 1199 M N 1.901 121.505 119.600 0.007 0.000 2.255 1199 M HA 0.275 4.755 4.480 -0.001 0.000 0.336 1199 M C -2.080 174.219 176.300 -0.002 0.000 1.135 1199 M CA -2.021 53.278 55.300 -0.001 0.000 1.145 1199 M CB 0.683 33.273 32.600 -0.017 0.000 1.473 1199 M HN -0.084 nan 8.290 nan 0.000 0.462 1200 P HA 0.015 nan 4.420 nan 0.000 0.266 1200 P C -0.470 176.828 177.300 -0.003 0.000 1.193 1200 P CA 0.280 63.379 63.100 -0.001 0.000 0.770 1200 P CB 0.455 32.154 31.700 -0.002 0.000 0.836 1201 K N 1.446 121.848 120.400 0.003 0.000 2.393 1201 K HA 0.045 4.365 4.320 -0.001 0.000 0.193 1201 K C 0.591 177.201 176.600 0.016 0.000 1.026 1201 K CA 0.546 56.838 56.287 0.009 0.000 1.064 1201 K CB 0.093 32.599 32.500 0.010 0.000 0.833 1201 K HN 0.507 nan 8.250 nan 0.000 0.521 1202 K N -0.872 119.535 120.400 0.012 0.000 2.568 1202 K HA 0.395 4.715 4.320 -0.001 0.000 0.273 1202 K C -1.329 175.279 176.600 0.014 0.000 0.951 1202 K CA -0.920 55.378 56.287 0.019 0.000 0.854 1202 K CB 2.126 34.636 32.500 0.017 0.000 1.424 1202 K HN -0.279 nan 8.250 nan 0.000 0.427 1203 V N 1.447 121.374 119.914 0.021 0.000 2.577 1203 V HA 0.401 4.521 4.120 -0.001 0.000 0.303 1203 V C -0.405 175.704 176.094 0.025 0.000 1.042 1203 V CA -0.598 61.713 62.300 0.017 0.000 0.872 1203 V CB 1.809 33.640 31.823 0.013 0.000 0.998 1203 V HN 1.005 nan 8.190 nan 0.000 0.423 1204 T N -0.054 114.511 114.554 0.018 0.000 2.902 1204 T HA 0.539 4.889 4.350 -0.001 0.000 0.283 1204 T C 0.166 174.877 174.700 0.018 0.000 1.009 1204 T CA -0.222 61.889 62.100 0.018 0.000 1.051 1204 T CB 1.276 70.151 68.868 0.011 0.000 0.999 1204 T HN 0.799 nan 8.240 nan 0.000 0.474 1205 D N 0.398 120.809 120.400 0.019 0.000 2.689 1205 D HA -0.160 4.479 4.640 -0.001 0.000 0.237 1205 D C 0.323 176.639 176.300 0.025 0.000 1.148 1205 D CA 0.836 54.848 54.000 0.019 0.000 0.656 1205 D CB -1.258 39.551 40.800 0.014 0.000 1.050 1205 D HN 1.107 nan 8.370 nan 0.000 0.426 1206 A N 1.395 124.235 122.820 0.034 0.000 2.477 1206 A HA 0.352 4.672 4.320 -0.001 0.000 0.246 1206 A C 0.505 178.118 177.584 0.047 0.000 1.078 1206 A CA 0.190 52.253 52.037 0.043 0.000 0.770 1206 A CB 0.547 19.584 19.000 0.062 0.000 1.011 1206 A HN 0.156 nan 8.150 nan 0.000 0.494 1207 K N 3.021 123.447 120.400 0.044 0.000 2.347 1207 K HA 0.386 4.705 4.320 -0.001 0.000 0.262 1207 K C -1.194 175.443 176.600 0.061 0.000 1.052 1207 K CA -0.244 56.071 56.287 0.046 0.000 0.946 1207 K CB 0.932 33.451 32.500 0.032 0.000 1.220 1207 K HN 0.525 nan 8.250 nan 0.000 0.450 1208 I N 2.142 122.765 120.570 0.088 0.000 2.371 1208 I HA 0.202 4.372 4.170 -0.001 0.000 0.290 1208 I C 0.373 176.561 176.117 0.120 0.000 1.028 1208 I CA -0.171 61.214 61.300 0.142 0.000 1.345 1208 I CB 1.362 39.481 38.000 0.199 0.000 1.407 1208 I HN 0.507 nan 8.210 nan 0.000 0.501 1209 A N 7.591 130.486 122.820 0.125 0.000 2.330 1209 A HA 0.847 5.166 4.320 -0.001 0.000 0.327 1209 A C -0.767 176.904 177.584 0.145 0.000 1.155 1209 A CA -0.562 51.535 52.037 0.099 0.000 0.803 1209 A CB 0.640 19.674 19.000 0.058 0.000 1.208 1209 A HN 0.658 nan 8.150 nan 0.000 0.477 1210 L N 3.453 124.741 121.223 0.108 0.000 2.318 1210 L HA 0.463 4.803 4.340 -0.001 0.000 0.277 1210 L C -1.046 175.866 176.870 0.069 0.000 1.008 1210 L CA -0.102 54.801 54.840 0.105 0.000 0.846 1210 L CB 1.040 43.139 42.059 0.067 0.000 1.220 1210 L HN 0.571 nan 8.230 nan 0.000 0.423 1211 L N 3.119 124.385 121.223 0.071 0.000 2.341 1211 L HA 0.370 4.710 4.340 -0.001 0.000 0.278 1211 L C 0.531 177.427 176.870 0.044 0.000 1.005 1211 L CA -0.567 54.301 54.840 0.047 0.000 0.818 1211 L CB 1.963 44.045 42.059 0.039 0.000 1.259 1211 L HN 0.584 nan 8.230 nan 0.000 0.418 1212 N N 0.192 118.910 118.700 0.031 0.000 2.353 1212 N HA -0.019 4.720 4.740 -0.001 0.000 0.185 1212 N C 0.238 175.760 175.510 0.020 0.000 1.098 1212 N CA -0.208 52.856 53.050 0.025 0.000 0.872 1212 N CB 0.172 38.670 38.487 0.018 0.000 0.970 1212 N HN 0.412 nan 8.380 nan 0.000 0.467 1213 C N 1.506 120.817 119.300 0.019 0.000 2.435 1213 C HA 0.767 5.227 4.460 -0.001 0.000 0.375 1213 C C 0.948 175.947 174.990 0.015 0.000 1.281 1213 C CA -0.986 58.041 59.018 0.015 0.000 1.963 1213 C CB -1.247 26.502 27.740 0.015 0.000 2.490 1213 C HN 0.577 nan 8.230 nan 0.000 0.557 1214 A N 6.574 129.400 122.820 0.010 0.000 2.520 1214 A HA 0.363 4.682 4.320 -0.001 0.000 0.235 1214 A C 0.420 178.007 177.584 0.005 0.000 1.065 1214 A CA 0.003 52.044 52.037 0.006 0.000 0.764 1214 A CB 0.072 19.074 19.000 0.003 0.000 1.002 1214 A HN 0.815 nan 8.150 nan 0.000 0.502 1215 I N 2.440 123.011 120.570 0.001 0.000 2.191 1215 I HA 0.187 4.356 4.170 -0.001 0.000 0.289 1215 I C 0.115 176.229 176.117 -0.005 0.000 1.141 1215 I CA 0.727 62.027 61.300 0.001 0.000 1.430 1215 I CB -1.538 36.459 38.000 -0.004 0.000 1.497 1215 I HN 0.609 nan 8.210 nan 0.000 0.636 1216 E N 2.943 123.143 120.200 -0.000 0.000 2.283 1216 E HA 0.453 4.802 4.350 -0.001 0.000 0.258 1216 E C -0.794 175.809 176.600 0.006 0.000 0.893 1216 E CA -0.488 55.910 56.400 -0.003 0.000 0.798 1216 E CB 2.336 32.032 29.700 -0.006 0.000 1.242 1216 E HN 0.199 nan 8.360 nan 0.000 0.414 1217 E N 1.893 122.099 120.200 0.009 0.000 2.278 1217 E HA 0.180 4.530 4.350 -0.001 0.000 0.272 1217 E C -1.155 175.456 176.600 0.018 0.000 0.890 1217 E CA -0.553 55.857 56.400 0.017 0.000 0.770 1217 E CB 1.894 31.611 29.700 0.028 0.000 1.212 1217 E HN 0.276 nan 8.360 nan 0.000 0.415 1218 T N 2.892 117.456 114.554 0.016 0.000 2.940 1218 T HA 0.483 4.832 4.350 -0.001 0.000 0.309 1218 T C -0.241 174.474 174.700 0.026 0.000 1.056 1218 T CA 0.893 63.003 62.100 0.017 0.000 1.137 1218 T CB -0.254 68.622 68.868 0.013 0.000 0.976 1218 T HN 1.324 nan 8.240 nan 0.000 0.547 1219 A N 3.180 126.017 122.820 0.029 0.000 2.435 1219 A HA -0.046 4.274 4.320 -0.001 0.000 0.686 1219 A C 1.255 178.880 177.584 0.069 0.000 0.138 1219 A CA 0.499 52.561 52.037 0.042 0.000 0.024 1219 A CB -1.853 17.169 19.000 0.036 0.000 3.974 1219 A HN 1.873 nan 8.150 nan 0.000 0.548 1220 S N 0.624 116.381 115.700 0.096 0.000 2.489 1220 S HA -0.012 4.458 4.470 -0.001 0.000 0.228 1220 S C 1.366 176.086 174.600 0.199 0.000 0.995 1220 S CA 1.427 59.742 58.200 0.192 0.000 0.934 1220 S CB 0.078 63.415 63.200 0.229 0.000 0.771 1220 S HN 1.162 nan 8.310 nan 0.000 0.522 1221 E N 1.883 122.144 120.200 0.102 0.000 2.046 1221 E HA 0.047 4.396 4.350 -0.001 0.000 0.190 1221 E C 1.994 178.622 176.600 0.046 0.000 0.982 1221 E CA 1.403 57.835 56.400 0.053 0.000 0.800 1221 E CB -0.417 29.302 29.700 0.032 0.000 0.756 1221 E HN 0.594 nan 8.360 nan 0.000 0.449 1222 M N -0.522 119.110 119.600 0.053 0.000 2.200 1222 M HA -0.041 4.439 4.480 -0.001 0.000 0.265 1222 M C 2.037 178.373 176.300 0.061 0.000 1.066 1222 M CA 0.648 55.974 55.300 0.043 0.000 1.127 1222 M CB -0.109 32.512 32.600 0.035 0.000 1.379 1222 M HN 0.194 nan 8.290 nan 0.000 0.420 1223 L N 0.959 122.238 121.223 0.093 0.000 2.093 1223 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 1223 L C 2.410 179.391 176.870 0.186 0.000 1.085 1223 L CA 1.825 56.739 54.840 0.123 0.000 0.755 1223 L CB -0.698 41.436 42.059 0.125 0.000 0.904 1223 L HN 0.147 nan 8.230 nan 0.000 0.435 1224 K N -0.372 120.152 120.400 0.207 0.000 2.057 1224 K HA -0.198 4.122 4.320 -0.001 0.000 0.207 1224 K C 1.567 178.165 176.600 -0.004 0.000 1.049 1224 K CA 1.825 58.141 56.287 0.049 0.000 0.931 1224 K CB -0.298 32.078 32.500 -0.207 0.000 0.714 1224 K HN 0.374 nan 8.250 nan 0.000 0.440 1225 D N 0.615 121.020 120.400 0.010 0.000 2.178 1225 D HA -0.110 4.529 4.640 -0.001 0.000 0.202 1225 D C 2.014 178.323 176.300 0.015 0.000 0.974 1225 D CA 1.024 55.024 54.000 0.001 0.000 0.841 1225 D CB -0.083 40.720 40.800 0.005 0.000 0.953 1225 D HN 0.290 nan 8.370 nan 0.000 0.478 1226 M N -0.131 119.489 119.600 0.035 0.000 2.117 1226 M HA -0.127 4.353 4.480 -0.001 0.000 0.262 1226 M C 2.252 178.574 176.300 0.037 0.000 1.065 1226 M CA 0.866 56.188 55.300 0.036 0.000 1.114 1226 M CB -0.044 32.583 32.600 0.044 0.000 1.361 1226 M HN -0.115 nan 8.290 nan 0.000 0.408 1227 V N 0.204 120.152 119.914 0.056 0.000 2.358 1227 V HA -0.209 3.911 4.120 -0.001 0.000 0.246 1227 V C 2.580 178.689 176.094 0.026 0.000 1.047 1227 V CA 1.906 64.241 62.300 0.058 0.000 1.035 1227 V CB -1.129 30.764 31.823 0.117 0.000 0.658 1227 V HN 0.511 nan 8.190 nan 0.000 0.452 1228 A N -0.084 122.740 122.820 0.006 0.000 1.969 1228 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 1228 A C 2.176 179.759 177.584 -0.001 0.000 1.169 1228 A CA 1.928 53.959 52.037 -0.010 0.000 0.635 1228 A CB -0.410 18.573 19.000 -0.027 0.000 0.810 1228 A HN 0.551 nan 8.150 nan 0.000 0.445 1229 E N 0.282 120.485 120.200 0.006 0.000 2.107 1229 E HA -0.081 4.268 4.350 -0.001 0.000 0.191 1229 E C 1.653 178.260 176.600 0.011 0.000 0.982 1229 E CA 1.150 57.555 56.400 0.008 0.000 0.809 1229 E CB -0.358 29.349 29.700 0.011 0.000 0.756 1229 E HN 0.644 nan 8.360 nan 0.000 0.459 1230 I N 0.246 120.825 120.570 0.014 0.000 2.252 1230 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 1230 I C 2.271 178.394 176.117 0.011 0.000 1.102 1230 I CA 1.137 62.446 61.300 0.014 0.000 1.385 1230 I CB -0.239 37.770 38.000 0.016 0.000 1.064 1230 I HN 0.061 nan 8.210 nan 0.000 0.414 1231 K N 1.795 122.201 120.400 0.009 0.000 2.063 1231 K HA -0.135 4.185 4.320 -0.001 0.000 0.208 1231 K C 2.036 178.639 176.600 0.005 0.000 1.048 1231 K CA 1.731 58.022 56.287 0.006 0.000 0.928 1231 K CB -0.392 32.109 32.500 0.002 0.000 0.713 1231 K HN 0.270 nan 8.250 nan 0.000 0.442 1232 A N 0.279 123.101 122.820 0.004 0.000 1.972 1232 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 1232 A C 2.140 179.728 177.584 0.007 0.000 1.169 1232 A CA 2.141 54.180 52.037 0.004 0.000 0.635 1232 A CB -1.016 17.986 19.000 0.003 0.000 0.810 1232 A HN 0.568 nan 8.150 nan 0.000 0.446 1233 S N -1.668 114.037 115.700 0.009 0.000 2.442 1233 S HA 0.238 4.708 4.470 -0.001 0.000 0.236 1233 S C 1.646 176.254 174.600 0.013 0.000 1.007 1233 S CA 1.454 59.661 58.200 0.012 0.000 0.965 1233 S CB -0.560 62.650 63.200 0.016 0.000 0.773 1233 S HN 1.988 nan 8.310 nan 0.000 0.504 1234 G N 0.654 109.461 108.800 0.011 0.000 2.175 1234 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.244 1234 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.244 1234 G C 0.254 175.162 174.900 0.014 0.000 0.982 1234 G CA 0.028 45.135 45.100 0.012 0.000 0.641 1234 G HN 1.368 nan 8.290 nan 0.000 0.527 1235 A N -0.001 122.828 122.820 0.015 0.000 2.498 1235 A HA 0.595 4.914 4.320 -0.001 0.000 0.239 1235 A C 1.171 178.760 177.584 0.008 0.000 1.068 1235 A CA 0.959 53.007 52.037 0.017 0.000 0.766 1235 A CB 0.196 19.208 19.000 0.020 0.000 1.003 1235 A HN 0.363 nan 8.150 nan 0.000 0.497 1236 N N 0.333 119.037 118.700 0.007 0.000 2.382 1236 N HA 0.114 4.853 4.740 -0.001 0.000 0.200 1236 N C -0.644 174.850 175.510 -0.027 0.000 1.122 1236 N CA 0.491 53.538 53.050 -0.004 0.000 0.870 1236 N CB 0.885 39.374 38.487 0.004 0.000 1.176 1236 N HN 0.381 nan 8.380 nan 0.000 0.474 1237 V N 2.356 122.252 119.914 -0.030 0.000 2.495 1237 V HA 0.441 4.561 4.120 -0.001 0.000 0.298 1237 V C -0.874 175.148 176.094 -0.119 0.000 1.031 1237 V CA -0.825 61.414 62.300 -0.103 0.000 0.871 1237 V CB 2.366 34.162 31.823 -0.045 0.000 0.988 1237 V HN 0.002 nan 8.190 nan 0.000 0.432 1238 L N 5.625 126.701 121.223 -0.245 0.000 2.372 1238 L HA 0.670 5.009 4.340 -0.001 0.000 0.274 1238 L C -1.326 175.347 176.870 -0.329 0.000 0.988 1238 L CA 0.013 54.751 54.840 -0.170 0.000 0.833 1238 L CB 1.287 43.292 42.059 -0.089 0.000 1.236 1238 L HN 0.472 nan 8.230 nan 0.000 0.410 1239 F N 4.945 124.896 119.950 0.002 0.000 2.361 1239 F HA 0.419 4.946 4.527 -0.001 0.000 0.364 1239 F C 0.256 176.054 175.800 -0.003 0.000 1.117 1239 F CA -0.314 57.684 58.000 -0.003 0.000 1.071 1239 F CB 1.240 40.238 39.000 -0.004 0.000 1.188 1239 F HN 0.489 nan 8.300 nan 0.000 0.464 1240 C N 5.167 124.542 119.300 0.125 0.000 2.295 1240 C HA 0.220 4.679 4.460 -0.001 0.000 0.331 1240 C C 1.680 176.716 174.990 0.077 0.000 1.280 1240 C CA -0.463 58.601 59.018 0.076 0.000 1.746 1240 C CB 0.638 28.395 27.740 0.029 0.000 2.328 1240 C HN 0.938 nan 8.230 nan 0.000 0.521 1241 Q N 3.337 123.174 119.800 0.061 0.000 2.084 1241 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 1241 Q C 0.852 176.869 176.000 0.029 0.000 0.978 1241 Q CA 1.631 57.459 55.803 0.043 0.000 0.844 1241 Q CB 0.172 28.927 28.738 0.029 0.000 0.898 1241 Q HN 0.760 nan 8.270 nan 0.000 0.426 1242 K N -1.145 119.268 120.400 0.023 0.000 2.646 1242 K HA 0.421 4.741 4.320 -0.001 0.000 0.270 1242 K C 0.392 176.998 176.600 0.009 0.000 1.026 1242 K CA -0.191 56.104 56.287 0.013 0.000 1.043 1242 K CB 0.063 32.569 32.500 0.009 0.000 1.383 1242 K HN 0.105 nan 8.250 nan 0.000 0.513 1243 G N 0.278 109.079 108.800 0.000 0.000 2.634 1243 G HA2 0.398 4.357 3.960 -0.001 0.000 0.255 1243 G HA3 0.398 4.357 3.960 -0.001 0.000 0.255 1243 G C -0.499 174.392 174.900 -0.015 0.000 1.205 1243 G CA -0.524 44.571 45.100 -0.009 0.000 0.884 1243 G HN 0.371 nan 8.290 nan 0.000 0.549 1244 I N 0.451 121.004 120.570 -0.028 0.000 2.447 1244 I HA 0.161 4.331 4.170 -0.001 0.000 0.287 1244 I C -0.517 175.565 176.117 -0.059 0.000 1.023 1244 I CA -0.747 60.528 61.300 -0.041 0.000 1.083 1244 I CB 2.040 40.011 38.000 -0.049 0.000 1.245 1244 I HN 0.414 nan 8.210 nan 0.000 0.434 1245 D N 5.366 125.730 120.400 -0.059 0.000 2.414 1245 D HA -0.042 4.598 4.640 -0.001 0.000 0.242 1245 D C 0.667 176.891 176.300 -0.127 0.000 1.129 1245 D CA 0.160 54.116 54.000 -0.074 0.000 0.885 1245 D CB 1.315 42.080 40.800 -0.058 0.000 1.198 1245 D HN 0.500 nan 8.370 nan 0.000 0.437 1246 D N 3.190 123.504 120.400 -0.144 0.000 2.190 1246 D HA -0.183 4.457 4.640 -0.001 0.000 0.200 1246 D C 1.845 177.927 176.300 -0.362 0.000 0.992 1246 D CA 0.555 54.405 54.000 -0.251 0.000 0.854 1246 D CB 0.155 40.849 40.800 -0.177 0.000 0.936 1246 D HN 0.475 nan 8.370 nan 0.000 0.462 1247 L N 0.529 121.632 121.223 -0.201 0.000 2.056 1247 L HA -0.158 4.182 4.340 -0.001 0.000 0.207 1247 L C 2.328 178.981 176.870 -0.362 0.000 1.078 1247 L CA 1.249 55.960 54.840 -0.215 0.000 0.749 1247 L CB -0.144 41.818 42.059 -0.162 0.000 0.901 1247 L HN -0.046 nan 8.230 nan 0.000 0.433 1248 A N -0.848 121.839 122.820 -0.221 0.000 1.969 1248 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 1248 A C 2.063 179.579 177.584 -0.114 0.000 1.169 1248 A CA 1.448 53.410 52.037 -0.125 0.000 0.635 1248 A CB -0.408 18.562 19.000 -0.050 0.000 0.810 1248 A HN 0.595 nan 8.150 nan 0.000 0.445 1249 Q N -1.117 118.564 119.800 -0.199 0.000 2.170 1249 Q HA -0.170 4.169 4.340 -0.001 0.000 0.203 1249 Q C 1.933 177.840 176.000 -0.154 0.000 0.976 1249 Q CA 1.359 57.046 55.803 -0.192 0.000 0.858 1249 Q CB -0.252 28.318 28.738 -0.280 0.000 0.907 1249 Q HN 0.748 nan 8.270 nan 0.000 0.433 1250 H N -0.800 118.205 119.070 -0.110 0.000 2.326 1250 H HA -0.122 4.433 4.556 -0.001 0.000 0.301 1250 H C 1.744 177.112 175.328 0.068 0.000 1.081 1250 H CA 1.259 57.261 56.048 -0.077 0.000 1.334 1250 H CB -0.216 29.433 29.762 -0.189 0.000 1.385 1250 H HN 0.305 nan 8.280 nan 0.000 0.504 1251 Y N 0.660 121.028 120.300 0.113 0.000 2.314 1251 Y HA -0.057 4.492 4.550 -0.001 0.000 0.293 1251 Y C 2.809 178.726 175.900 0.028 0.000 1.129 1251 Y CA 0.110 58.244 58.100 0.057 0.000 1.201 1251 Y CB -0.903 37.582 38.460 0.041 0.000 0.999 1251 Y HN 0.056 nan 8.280 nan 0.000 0.541 1252 L N -0.762 120.562 121.223 0.167 0.000 2.046 1252 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 1252 L C 2.631 179.535 176.870 0.056 0.000 1.077 1252 L CA 1.255 56.140 54.840 0.076 0.000 0.747 1252 L CB -0.779 41.293 42.059 0.021 0.000 0.896 1252 L HN 0.158 nan 8.230 nan 0.000 0.432 1253 A N -0.052 122.807 122.820 0.065 0.000 1.930 1253 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 1253 A C 2.299 179.923 177.584 0.066 0.000 1.175 1253 A CA 1.507 53.577 52.037 0.056 0.000 0.627 1253 A CB -0.308 18.732 19.000 0.067 0.000 0.815 1253 A HN 0.312 nan 8.150 nan 0.000 0.443 1254 K N -0.382 120.078 120.400 0.100 0.000 2.211 1254 K HA -0.084 4.235 4.320 -0.001 0.000 0.203 1254 K C 1.188 177.814 176.600 0.044 0.000 1.050 1254 K CA 1.163 57.497 56.287 0.079 0.000 0.945 1254 K CB 0.007 32.573 32.500 0.110 0.000 0.732 1254 K HN 0.359 nan 8.250 nan 0.000 0.451 1255 E N -0.470 119.757 120.200 0.045 0.000 2.489 1255 E HA 0.024 4.373 4.350 -0.001 0.000 0.193 1255 E C 0.875 177.484 176.600 0.016 0.000 1.057 1255 E CA 0.419 56.833 56.400 0.022 0.000 0.866 1255 E CB 0.643 30.357 29.700 0.022 0.000 0.916 1255 E HN 0.451 nan 8.360 nan 0.000 0.500 1256 G N 1.921 110.732 108.800 0.019 0.000 2.160 1256 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.251 1256 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.251 1256 G C 0.235 175.135 174.900 0.000 0.000 1.008 1256 G CA 0.174 45.280 45.100 0.010 0.000 0.724 1256 G HN 0.269 nan 8.290 nan 0.000 0.514 1257 I N 1.043 121.613 120.570 -0.000 0.000 2.342 1257 I HA 0.422 4.592 4.170 -0.001 0.000 0.291 1257 I C 1.018 177.113 176.117 -0.036 0.000 1.010 1257 I CA -1.088 60.202 61.300 -0.017 0.000 1.308 1257 I CB 1.551 39.544 38.000 -0.012 0.000 1.400 1257 I HN 0.148 nan 8.210 nan 0.000 0.488 1258 V N 3.808 123.685 119.914 -0.061 0.000 2.509 1258 V HA 0.911 5.031 4.120 -0.001 0.000 0.284 1258 V C 0.063 176.062 176.094 -0.158 0.000 1.047 1258 V CA -0.282 61.963 62.300 -0.092 0.000 0.952 1258 V CB 1.172 32.941 31.823 -0.089 0.000 0.988 1258 V HN 0.820 nan 8.190 nan 0.000 0.469 1259 A N 3.623 126.345 122.820 -0.162 0.000 2.515 1259 A HA 0.999 5.318 4.320 -0.001 0.000 0.298 1259 A C -0.329 177.137 177.584 -0.197 0.000 1.059 1259 A CA -0.315 51.601 52.037 -0.202 0.000 0.698 1259 A CB 1.877 20.805 19.000 -0.121 0.000 1.289 1259 A HN 2.330 nan 8.150 nan 0.000 0.404 1260 A N 1.911 124.589 122.820 -0.237 0.000 2.359 1260 A HA 0.739 5.059 4.320 -0.001 0.000 0.303 1260 A C -0.009 177.561 177.584 -0.023 0.000 1.066 1260 A CA -0.649 51.322 52.037 -0.109 0.000 0.730 1260 A CB 0.781 19.735 19.000 -0.076 0.000 1.211 1260 A HN 1.205 nan 8.150 nan 0.000 0.439 1261 R N 1.838 122.334 120.500 -0.007 0.000 2.700 1261 R HA 0.718 5.057 4.340 -0.001 0.000 0.253 1261 R C -0.363 175.954 176.300 0.027 0.000 1.091 1261 R CA -0.782 55.324 56.100 0.009 0.000 1.104 1261 R CB 0.405 30.698 30.300 -0.012 0.000 1.202 1261 R HN 0.493 nan 8.270 nan 0.000 0.532 1262 R N -0.925 119.589 120.500 0.023 0.000 3.516 1262 R HA -0.111 4.229 4.340 -0.001 0.000 0.271 1262 R C -0.681 175.638 176.300 0.032 0.000 1.098 1262 R CA 0.569 56.681 56.100 0.021 0.000 0.732 1262 R CB -2.619 27.687 30.300 0.010 0.000 1.152 1262 R HN 0.528 nan 8.270 nan 0.000 0.455 1263 V N 1.410 121.356 119.914 0.053 0.000 2.572 1263 V HA 0.036 4.156 4.120 -0.001 0.000 0.291 1263 V C 1.467 177.576 176.094 0.024 0.000 1.039 1263 V CA -0.023 62.314 62.300 0.061 0.000 1.055 1263 V CB 1.183 33.074 31.823 0.114 0.000 0.969 1263 V HN 0.153 nan 8.190 nan 0.000 0.482 1264 K N 3.309 123.712 120.400 0.005 0.000 2.382 1264 K HA 0.030 4.350 4.320 -0.001 0.000 0.275 1264 K C 1.209 177.800 176.600 -0.015 0.000 1.009 1264 K CA -0.318 55.964 56.287 -0.008 0.000 0.970 1264 K CB 0.548 33.038 32.500 -0.017 0.000 0.934 1264 K HN 0.608 nan 8.250 nan 0.000 0.479 1265 K N 1.975 122.368 120.400 -0.012 0.000 2.074 1265 K HA -0.198 4.121 4.320 -0.001 0.000 0.209 1265 K C 1.914 178.499 176.600 -0.026 0.000 1.048 1265 K CA 2.228 58.506 56.287 -0.014 0.000 0.926 1265 K CB -0.553 31.942 32.500 -0.010 0.000 0.713 1265 K HN 0.583 nan 8.250 nan 0.000 0.444 1266 S N 0.182 115.864 115.700 -0.029 0.000 2.359 1266 S HA -0.170 4.299 4.470 -0.001 0.000 0.224 1266 S C 1.401 175.966 174.600 -0.058 0.000 1.035 1266 S CA 1.784 59.962 58.200 -0.038 0.000 1.018 1266 S CB -0.554 62.625 63.200 -0.034 0.000 0.876 1266 S HN 0.424 nan 8.310 nan 0.000 0.448 1267 D N 0.915 121.275 120.400 -0.067 0.000 2.144 1267 D HA -0.060 4.580 4.640 -0.001 0.000 0.199 1267 D C 2.001 178.214 176.300 -0.145 0.000 0.984 1267 D CA 0.979 54.913 54.000 -0.111 0.000 0.834 1267 D CB -0.274 40.466 40.800 -0.101 0.000 0.955 1267 D HN 0.382 nan 8.370 nan 0.000 0.465 1268 M N 0.479 120.022 119.600 -0.096 0.000 2.159 1268 M HA -0.087 4.393 4.480 -0.001 0.000 0.263 1268 M C 1.888 178.140 176.300 -0.080 0.000 1.063 1268 M CA 1.202 56.451 55.300 -0.085 0.000 1.110 1268 M CB -0.753 31.829 32.600 -0.031 0.000 1.374 1268 M HN 0.119 nan 8.290 nan 0.000 0.411 1269 E N 0.012 120.173 120.200 -0.065 0.000 2.076 1269 E HA -0.121 4.229 4.350 -0.001 0.000 0.190 1269 E C 2.064 178.625 176.600 -0.064 0.000 0.979 1269 E CA 0.791 57.160 56.400 -0.052 0.000 0.807 1269 E CB 0.016 29.693 29.700 -0.038 0.000 0.761 1269 E HN 0.494 nan 8.360 nan 0.000 0.454 1270 K N 0.681 121.032 120.400 -0.082 0.000 2.097 1270 K HA -0.093 4.226 4.320 -0.001 0.000 0.206 1270 K C 2.197 178.733 176.600 -0.107 0.000 1.049 1270 K CA 0.834 57.069 56.287 -0.086 0.000 0.933 1270 K CB -0.084 32.359 32.500 -0.095 0.000 0.717 1270 K HN 0.106 nan 8.250 nan 0.000 0.442 1271 L N 0.476 121.602 121.223 -0.162 0.000 2.093 1271 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 1271 L C 2.581 179.386 176.870 -0.108 0.000 1.085 1271 L CA 1.032 55.752 54.840 -0.200 0.000 0.755 1271 L CB -0.538 41.295 42.059 -0.377 0.000 0.904 1271 L HN 0.194 nan 8.230 nan 0.000 0.435 1272 A N 0.089 122.862 122.820 -0.078 0.000 1.930 1272 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 1272 A C 2.321 179.890 177.584 -0.025 0.000 1.175 1272 A CA 1.529 53.544 52.037 -0.037 0.000 0.627 1272 A CB -0.281 18.702 19.000 -0.028 0.000 0.815 1272 A HN 0.306 nan 8.150 nan 0.000 0.443 1273 K N -0.315 120.066 120.400 -0.032 0.000 2.026 1273 K HA -0.041 4.279 4.320 -0.001 0.000 0.208 1273 K C 2.333 178.928 176.600 -0.008 0.000 1.048 1273 K CA 1.198 57.473 56.287 -0.019 0.000 0.929 1273 K CB -0.284 32.202 32.500 -0.024 0.000 0.713 1273 K HN 0.437 nan 8.250 nan 0.000 0.439 1274 A N 1.023 123.831 122.820 -0.020 0.000 1.855 1274 A HA -0.124 4.195 4.320 -0.001 0.000 0.213 1274 A C 2.287 179.877 177.584 0.010 0.000 1.195 1274 A CA 2.035 54.068 52.037 -0.007 0.000 0.610 1274 A CB -0.943 18.041 19.000 -0.027 0.000 0.837 1274 A HN 0.452 nan 8.150 nan 0.000 0.444 1275 T N -4.299 110.255 114.554 0.001 0.000 3.043 1275 T HA 0.357 4.707 4.350 -0.001 0.000 0.263 1275 T C 1.485 176.203 174.700 0.030 0.000 1.094 1275 T CA 1.235 63.347 62.100 0.020 0.000 1.127 1275 T CB -0.134 68.746 68.868 0.021 0.000 0.905 1275 T HN 1.773 nan 8.240 nan 0.000 0.490 1276 G N 1.526 110.338 108.800 0.020 0.000 2.143 1276 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.248 1276 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.248 1276 G C 0.282 175.194 174.900 0.020 0.000 0.991 1276 G CA 0.036 45.148 45.100 0.022 0.000 0.689 1276 G HN 1.208 nan 8.290 nan 0.000 0.522 1277 A N -0.327 122.504 122.820 0.018 0.000 2.445 1277 A HA 0.560 4.880 4.320 -0.001 0.000 0.242 1277 A C 0.458 178.052 177.584 0.017 0.000 1.075 1277 A CA 0.550 52.602 52.037 0.025 0.000 0.777 1277 A CB 0.377 19.398 19.000 0.034 0.000 1.013 1277 A HN 0.817 nan 8.150 nan 0.000 0.493 1278 N N 1.658 120.371 118.700 0.021 0.000 2.444 1278 N HA 0.358 5.098 4.740 -0.001 0.000 0.262 1278 N C -0.873 174.649 175.510 0.020 0.000 0.974 1278 N CA -0.356 52.703 53.050 0.016 0.000 0.933 1278 N CB 1.159 39.655 38.487 0.015 0.000 1.137 1278 N HN 0.288 nan 8.380 nan 0.000 0.498 1279 V N 4.912 124.835 119.914 0.014 0.000 2.485 1279 V HA 0.141 4.260 4.120 -0.001 0.000 0.287 1279 V C 0.400 176.505 176.094 0.017 0.000 1.022 1279 V CA -0.063 62.247 62.300 0.017 0.000 1.067 1279 V CB -0.126 31.702 31.823 0.009 0.000 0.967 1279 V HN 0.516 nan 8.190 nan 0.000 0.479 1280 I N 4.133 124.716 120.570 0.022 0.000 2.441 1280 I HA 0.438 4.608 4.170 -0.001 0.000 0.295 1280 I C 0.986 177.114 176.117 0.018 0.000 0.994 1280 I CA -0.338 60.974 61.300 0.019 0.000 1.144 1280 I CB 1.314 39.327 38.000 0.021 0.000 1.314 1280 I HN 0.635 nan 8.210 nan 0.000 0.445 1281 A N 5.620 128.449 122.820 0.014 0.000 1.832 1281 A HA 0.355 4.675 4.320 -0.001 0.000 0.214 1281 A C 1.079 178.671 177.584 0.014 0.000 1.204 1281 A CA 1.095 53.139 52.037 0.013 0.000 0.606 1281 A CB -0.175 18.831 19.000 0.010 0.000 0.849 1281 A HN 0.733 nan 8.150 nan 0.000 0.445 1282 A N -1.023 121.805 122.820 0.013 0.000 2.317 1282 A HA 0.645 4.965 4.320 -0.001 0.000 0.327 1282 A C 0.737 178.329 177.584 0.014 0.000 1.178 1282 A CA -0.594 51.451 52.037 0.013 0.000 0.817 1282 A CB 0.403 19.410 19.000 0.011 0.000 1.189 1282 A HN 0.364 nan 8.150 nan 0.000 0.489 1283 I N 1.820 122.398 120.570 0.015 0.000 2.335 1283 I HA -0.331 3.838 4.170 -0.001 0.000 0.251 1283 I C 2.755 178.880 176.117 0.014 0.000 1.129 1283 I CA 1.635 62.945 61.300 0.016 0.000 1.402 1283 I CB -0.246 37.763 38.000 0.016 0.000 1.069 1283 I HN 0.778 nan 8.210 nan 0.000 0.424 1284 A N 0.820 123.647 122.820 0.012 0.000 1.917 1284 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 1284 A C 2.505 180.095 177.584 0.010 0.000 1.182 1284 A CA 2.090 54.133 52.037 0.010 0.000 0.633 1284 A CB -0.745 18.261 19.000 0.009 0.000 0.819 1284 A HN 0.459 nan 8.150 nan 0.000 0.448 1285 A N -1.298 121.529 122.820 0.011 0.000 2.067 1285 A HA 0.291 4.611 4.320 -0.001 0.000 0.217 1285 A C 1.023 178.614 177.584 0.012 0.000 1.156 1285 A CA 0.471 52.514 52.037 0.011 0.000 0.683 1285 A CB -0.451 18.555 19.000 0.010 0.000 0.808 1285 A HN 0.598 nan 8.150 nan 0.000 0.455 1286 L N 1.819 123.051 121.223 0.014 0.000 2.477 1286 L HA 0.360 4.700 4.340 -0.001 0.000 0.272 1286 L C 0.379 177.258 176.870 0.015 0.000 1.157 1286 L CA 0.503 55.352 54.840 0.016 0.000 0.889 1286 L CB 0.386 42.457 42.059 0.019 0.000 1.158 1286 L HN 0.343 nan 8.230 nan 0.000 0.473 1287 S N 3.375 119.085 115.700 0.015 0.000 2.704 1287 S HA 0.781 5.250 4.470 -0.001 0.000 0.296 1287 S C 0.836 175.445 174.600 0.016 0.000 1.138 1287 S CA -0.349 57.859 58.200 0.014 0.000 0.875 1287 S CB 1.277 64.484 63.200 0.012 0.000 1.151 1287 S HN 0.811 nan 8.310 nan 0.000 0.500 1288 A N 0.373 123.201 122.820 0.015 0.000 2.024 1288 A HA -0.082 4.238 4.320 -0.001 0.000 0.220 1288 A C 2.021 179.616 177.584 0.018 0.000 1.164 1288 A CA 1.526 53.573 52.037 0.016 0.000 0.643 1288 A CB -1.059 17.949 19.000 0.014 0.000 0.806 1288 A HN 0.857 nan 8.150 nan 0.000 0.451 1289 Q N -0.517 119.292 119.800 0.016 0.000 2.436 1289 Q HA -0.100 4.239 4.340 -0.001 0.000 0.209 1289 Q C 0.547 176.558 176.000 0.018 0.000 0.965 1289 Q CA 0.981 56.794 55.803 0.016 0.000 0.910 1289 Q CB 0.011 28.757 28.738 0.013 0.000 0.980 1289 Q HN 0.613 nan 8.270 nan 0.000 0.491 1290 D N -0.202 120.209 120.400 0.020 0.000 2.350 1290 D HA 0.015 4.655 4.640 -0.001 0.000 0.213 1290 D C -0.146 176.171 176.300 0.028 0.000 1.031 1290 D CA 0.223 54.236 54.000 0.022 0.000 0.861 1290 D CB 0.374 41.187 40.800 0.021 0.000 0.926 1290 D HN 0.096 nan 8.370 nan 0.000 0.520 1291 L N 0.965 122.207 121.223 0.031 0.000 2.380 1291 L HA 0.325 4.665 4.340 -0.001 0.000 0.273 1291 L C 1.284 178.177 176.870 0.040 0.000 1.138 1291 L CA -0.032 54.831 54.840 0.039 0.000 0.832 1291 L CB 1.017 43.097 42.059 0.036 0.000 1.124 1291 L HN -0.174 nan 8.230 nan 0.000 0.454 1292 G N 1.180 110.009 108.800 0.048 0.000 2.488 1292 G HA2 0.535 4.495 3.960 -0.001 0.000 0.318 1292 G HA3 0.535 4.495 3.960 -0.001 0.000 0.318 1292 G C -1.111 173.819 174.900 0.051 0.000 1.188 1292 G CA -0.460 44.668 45.100 0.046 0.000 0.944 1292 G HN 0.529 nan 8.290 nan 0.000 0.495 1293 D N -0.395 120.033 120.400 0.047 0.000 2.350 1293 D HA 0.661 5.301 4.640 -0.001 0.000 0.245 1293 D C -0.251 176.075 176.300 0.044 0.000 1.036 1293 D CA 0.066 54.093 54.000 0.045 0.000 0.848 1293 D CB 1.972 42.795 40.800 0.039 0.000 1.307 1293 D HN 0.592 nan 8.370 nan 0.000 0.469 1294 A N 0.303 123.150 122.820 0.046 0.000 2.488 1294 A HA 0.623 4.942 4.320 -0.001 0.000 0.298 1294 A C 0.961 178.567 177.584 0.037 0.000 1.044 1294 A CA -0.413 51.651 52.037 0.045 0.000 0.693 1294 A CB 1.614 20.655 19.000 0.069 0.000 1.272 1294 A HN 0.487 nan 8.150 nan 0.000 0.402 1295 G N 0.329 109.144 108.800 0.025 0.000 2.408 1295 G HA2 0.300 4.259 3.960 -0.001 0.000 0.217 1295 G HA3 0.300 4.259 3.960 -0.001 0.000 0.217 1295 G C 0.284 175.200 174.900 0.026 0.000 1.150 1295 G CA 1.652 46.763 45.100 0.018 0.000 0.776 1295 G HN 1.220 nan 8.290 nan 0.000 0.542 1296 L N 0.119 121.366 121.223 0.039 0.000 2.562 1296 L HA 0.584 4.923 4.340 -0.001 0.000 0.266 1296 L C -1.332 175.584 176.870 0.077 0.000 0.949 1296 L CA -0.734 54.135 54.840 0.047 0.000 0.879 1296 L CB 2.421 44.500 42.059 0.033 0.000 1.278 1296 L HN -0.148 nan 8.230 nan 0.000 0.404 1297 V N 4.495 124.459 119.914 0.084 0.000 2.334 1297 V HA 0.625 4.745 4.120 -0.001 0.000 0.281 1297 V C -0.365 175.791 176.094 0.103 0.000 1.016 1297 V CA -0.426 61.947 62.300 0.121 0.000 0.832 1297 V CB 1.390 33.295 31.823 0.136 0.000 0.999 1297 V HN 0.823 nan 8.190 nan 0.000 0.439 1298 E N 3.269 123.551 120.200 0.138 0.000 2.292 1298 E HA 0.389 4.738 4.350 -0.001 0.000 0.272 1298 E C -0.880 175.820 176.600 0.167 0.000 0.881 1298 E CA -0.681 55.784 56.400 0.108 0.000 0.754 1298 E CB 2.066 31.800 29.700 0.057 0.000 1.201 1298 E HN 0.742 nan 8.360 nan 0.000 0.425 1299 E N 4.421 124.689 120.200 0.114 0.000 2.129 1299 E HA 0.199 4.549 4.350 -0.001 0.000 0.283 1299 E C -0.865 175.801 176.600 0.110 0.000 1.080 1299 E CA -0.157 56.319 56.400 0.128 0.000 0.867 1299 E CB 0.601 30.344 29.700 0.072 0.000 1.056 1299 E HN 0.346 nan 8.360 nan 0.000 0.404 1300 R N 3.597 124.207 120.500 0.183 0.000 2.750 1300 R HA 0.412 4.752 4.340 -0.001 0.000 0.281 1300 R C -0.682 175.708 176.300 0.149 0.000 0.972 1300 R CA -0.924 55.229 56.100 0.088 0.000 0.912 1300 R CB 1.967 32.185 30.300 -0.136 0.000 1.187 1300 R HN 0.329 nan 8.270 nan 0.000 0.464 1301 K N 1.970 122.413 120.400 0.071 0.000 2.159 1301 K HA 0.459 4.778 4.320 -0.001 0.000 0.266 1301 K C -0.757 175.887 176.600 0.073 0.000 0.975 1301 K CA -0.459 55.872 56.287 0.074 0.000 0.865 1301 K CB 1.738 34.261 32.500 0.038 0.000 1.087 1301 K HN 0.435 nan 8.250 nan 0.000 0.446 1302 I N 1.409 122.033 120.570 0.091 0.000 2.468 1302 I HA 0.057 4.226 4.170 -0.001 0.000 0.285 1302 I C -0.634 175.513 176.117 0.051 0.000 1.039 1302 I CA -0.018 61.330 61.300 0.080 0.000 1.074 1302 I CB 1.326 39.405 38.000 0.132 0.000 1.228 1302 I HN 0.700 nan 8.210 nan 0.000 0.436 1303 S N 4.742 120.463 115.700 0.033 0.000 3.587 1303 S HA -0.198 4.272 4.470 -0.001 0.000 0.337 1303 S C 1.070 175.681 174.600 0.019 0.000 1.119 1303 S CA 1.182 59.395 58.200 0.021 0.000 0.976 1303 S CB -1.613 61.598 63.200 0.018 0.000 0.922 1303 S HN 1.595 nan 8.310 nan 0.000 0.503 1304 G N 0.088 108.902 108.800 0.022 0.000 2.284 1304 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.230 1304 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.230 1304 G C -0.416 174.499 174.900 0.026 0.000 1.021 1304 G CA 0.124 45.235 45.100 0.020 0.000 0.619 1304 G HN 0.596 nan 8.290 nan 0.000 0.510 1305 D N 1.260 121.679 120.400 0.031 0.000 2.308 1305 D HA 0.471 5.111 4.640 -0.001 0.000 0.251 1305 D C 0.303 176.635 176.300 0.054 0.000 1.127 1305 D CA 0.497 54.517 54.000 0.034 0.000 0.876 1305 D CB 1.614 42.429 40.800 0.025 0.000 1.176 1305 D HN 0.196 nan 8.370 nan 0.000 0.446 1306 S N 2.908 118.638 115.700 0.048 0.000 2.481 1306 S HA 0.400 4.869 4.470 -0.001 0.000 0.276 1306 S C -0.229 174.413 174.600 0.070 0.000 1.247 1306 S CA -0.402 57.838 58.200 0.067 0.000 1.053 1306 S CB 0.035 63.264 63.200 0.047 0.000 0.925 1306 S HN 0.313 nan 8.310 nan 0.000 0.491 1307 M N 4.476 124.146 119.600 0.117 0.000 2.619 1307 M HA 0.532 5.012 4.480 -0.001 0.000 0.297 1307 M C -1.069 175.305 176.300 0.124 0.000 1.229 1307 M CA -0.637 54.700 55.300 0.062 0.000 0.860 1307 M CB 2.153 34.737 32.600 -0.026 0.000 1.741 1307 M HN 0.438 nan 8.290 nan 0.000 0.462 1308 I N 1.688 122.270 120.570 0.021 0.000 2.339 1308 I HA 0.362 4.532 4.170 -0.001 0.000 0.290 1308 I C -1.346 174.753 176.117 -0.030 0.000 0.994 1308 I CA -0.368 61.002 61.300 0.116 0.000 1.191 1308 I CB 0.932 39.034 38.000 0.169 0.000 1.343 1308 I HN 0.437 nan 8.210 nan 0.000 0.458 1309 F N 5.971 125.958 119.950 0.061 0.000 2.385 1309 F HA 0.379 4.906 4.527 -0.001 0.000 0.360 1309 F C 0.093 175.926 175.800 0.056 0.000 1.122 1309 F CA -0.771 57.255 58.000 0.044 0.000 1.090 1309 F CB 1.360 40.376 39.000 0.027 0.000 1.150 1309 F HN 0.016 nan 8.300 nan 0.000 0.472 1310 V N 4.423 124.432 119.914 0.157 0.000 2.311 1310 V HA 0.398 4.517 4.120 -0.001 0.000 0.275 1310 V C -0.298 175.852 176.094 0.094 0.000 1.022 1310 V CA -0.534 61.837 62.300 0.117 0.000 0.830 1310 V CB 0.567 32.424 31.823 0.057 0.000 1.012 1310 V HN 0.838 nan 8.190 nan 0.000 0.452 1311 E N 3.140 123.398 120.200 0.097 0.000 2.446 1311 E HA 0.622 4.972 4.350 -0.001 0.000 0.276 1311 E C -0.668 175.958 176.600 0.044 0.000 0.969 1311 E CA -0.877 55.566 56.400 0.072 0.000 0.800 1311 E CB 1.681 31.436 29.700 0.091 0.000 1.341 1311 E HN 0.220 nan 8.360 nan 0.000 0.460 1312 E N -1.203 119.011 120.200 0.023 0.000 3.181 1312 E HA -0.156 4.193 4.350 -0.001 0.000 0.293 1312 E C -0.552 176.042 176.600 -0.009 0.000 0.936 1312 E CA 0.748 57.149 56.400 0.002 0.000 0.975 1312 E CB -2.398 27.306 29.700 0.006 0.000 1.496 1312 E HN 0.593 nan 8.360 nan 0.000 0.429 1313 C N 0.966 120.263 119.300 -0.005 0.000 2.689 1313 C HA 0.068 4.528 4.460 -0.001 0.000 0.409 1313 C C 2.304 177.257 174.990 -0.061 0.000 1.293 1313 C CA -0.029 58.983 59.018 -0.011 0.000 2.136 1313 C CB 0.420 28.164 27.740 0.005 0.000 2.719 1313 C HN 0.355 nan 8.230 nan 0.000 0.644 1314 K N 0.417 120.773 120.400 -0.072 0.000 2.001 1314 K HA -0.133 4.187 4.320 -0.001 0.000 0.214 1314 K C 0.063 176.375 176.600 -0.481 0.000 1.050 1314 K CA 1.784 57.939 56.287 -0.221 0.000 0.934 1314 K CB -0.137 32.325 32.500 -0.064 0.000 0.718 1314 K HN 0.732 nan 8.250 nan 0.000 0.443 1315 H N -0.404 118.670 119.070 0.007 0.000 2.488 1315 H HA 0.202 4.757 4.556 -0.001 0.000 0.237 1315 H C -2.591 172.738 175.328 0.002 0.000 1.395 1315 H CA -1.751 54.300 56.048 0.005 0.000 1.491 1315 H CB 0.700 30.464 29.762 0.003 0.000 1.567 1315 H HN 0.121 nan 8.280 nan 0.000 0.508 1316 P HA 0.064 nan 4.420 nan 0.000 0.271 1316 P C 0.147 177.471 177.300 0.040 0.000 1.220 1316 P CA -0.520 62.602 63.100 0.037 0.000 0.768 1316 P CB 1.572 33.281 31.700 0.015 0.000 0.848 1317 K N 1.051 121.467 120.400 0.027 0.000 2.399 1317 K HA 0.459 4.778 4.320 -0.001 0.000 0.204 1317 K C 0.372 176.975 176.600 0.004 0.000 1.023 1317 K CA -0.291 56.007 56.287 0.019 0.000 1.127 1317 K CB 0.492 33.001 32.500 0.015 0.000 0.856 1317 K HN 0.542 nan 8.250 nan 0.000 0.514 1318 A N 0.514 123.333 122.820 -0.002 0.000 2.486 1318 A HA 0.662 4.981 4.320 -0.001 0.000 0.300 1318 A C -0.597 176.982 177.584 -0.010 0.000 1.048 1318 A CA -0.726 51.304 52.037 -0.012 0.000 0.696 1318 A CB 1.474 20.457 19.000 -0.027 0.000 1.278 1318 A HN -0.040 nan 8.150 nan 0.000 0.405 1319 V N -1.086 118.822 119.914 -0.010 0.000 3.074 1319 V HA 0.966 5.086 4.120 -0.001 0.000 0.314 1319 V C -0.433 175.652 176.094 -0.014 0.000 1.117 1319 V CA -0.579 61.718 62.300 -0.006 0.000 1.014 1319 V CB 1.714 33.538 31.823 0.003 0.000 1.057 1319 V HN 0.852 nan 8.190 nan 0.000 0.438 1320 T N 4.096 118.644 114.554 -0.010 0.000 2.841 1320 T HA 0.513 4.863 4.350 -0.001 0.000 0.285 1320 T C -0.516 174.183 174.700 -0.003 0.000 0.991 1320 T CA -0.212 61.875 62.100 -0.021 0.000 0.966 1320 T CB 1.346 70.185 68.868 -0.049 0.000 0.962 1320 T HN 0.957 nan 8.240 nan 0.000 0.438 1321 M N 4.893 124.490 119.600 -0.006 0.000 2.063 1321 M HA 0.477 4.956 4.480 -0.001 0.000 0.348 1321 M C -1.154 175.148 176.300 0.003 0.000 1.180 1321 M CA -0.709 54.594 55.300 0.004 0.000 1.059 1321 M CB 0.274 32.875 32.600 0.002 0.000 1.544 1321 M HN 0.532 nan 8.290 nan 0.000 0.447 1322 L N 7.303 128.538 121.223 0.019 0.000 2.259 1322 L HA 0.467 4.806 4.340 -0.001 0.000 0.288 1322 L C -1.041 175.843 176.870 0.025 0.000 1.051 1322 L CA -0.411 54.444 54.840 0.025 0.000 0.824 1322 L CB 0.443 42.541 42.059 0.064 0.000 1.206 1322 L HN 0.754 nan 8.230 nan 0.000 0.429 1323 I N 5.535 126.114 120.570 0.014 0.000 2.325 1323 I HA 0.318 4.488 4.170 -0.001 0.000 0.291 1323 I C 0.227 176.352 176.117 0.014 0.000 1.019 1323 I CA -0.304 61.004 61.300 0.013 0.000 1.302 1323 I CB 0.860 38.865 38.000 0.007 0.000 1.401 1323 I HN 0.578 nan 8.210 nan 0.000 0.485 1324 R N 4.031 124.541 120.500 0.016 0.000 2.828 1324 R HA 0.898 5.237 4.340 -0.001 0.000 0.264 1324 R C -0.239 176.069 176.300 0.012 0.000 1.022 1324 R CA -0.975 55.135 56.100 0.016 0.000 1.021 1324 R CB 2.155 32.467 30.300 0.020 0.000 1.163 1324 R HN 0.831 nan 8.270 nan 0.000 0.494 1325 G N -0.906 107.901 108.800 0.010 0.000 2.340 1325 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.298 1325 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.298 1325 G C -0.090 174.815 174.900 0.007 0.000 1.498 1325 G CA -0.479 44.627 45.100 0.010 0.000 0.847 1325 G HN 0.413 nan 8.290 nan 0.000 0.594 1326 T N -0.669 113.891 114.554 0.010 0.000 2.995 1326 T HA 0.279 4.628 4.350 -0.001 0.000 0.269 1326 T C 0.783 175.486 174.700 0.006 0.000 1.091 1326 T CA 2.171 64.276 62.100 0.009 0.000 1.128 1326 T CB -0.219 68.657 68.868 0.013 0.000 0.891 1326 T HN 0.701 nan 8.240 nan 0.000 0.492 1327 T N 1.028 115.586 114.554 0.006 0.000 2.956 1327 T HA 0.273 4.622 4.350 -0.001 0.000 0.312 1327 T C 0.275 174.960 174.700 -0.026 0.000 1.151 1327 T CA -0.776 61.322 62.100 -0.004 0.000 1.024 1327 T CB 2.165 71.050 68.868 0.029 0.000 1.140 1327 T HN -0.109 nan 8.240 nan 0.000 0.473 1328 E N 1.012 121.156 120.200 -0.093 0.000 2.070 1328 E HA -0.197 4.152 4.350 -0.001 0.000 0.197 1328 E C 1.668 178.193 176.600 -0.125 0.000 1.004 1328 E CA 1.671 57.981 56.400 -0.150 0.000 0.805 1328 E CB -0.071 29.470 29.700 -0.266 0.000 0.744 1328 E HN 0.560 nan 8.360 nan 0.000 0.451 1329 H N -0.238 118.835 119.070 0.005 0.000 2.491 1329 H HA -0.009 4.546 4.556 -0.001 0.000 0.290 1329 H C 2.266 177.597 175.328 0.005 0.000 1.050 1329 H CA 0.615 56.666 56.048 0.004 0.000 1.309 1329 H CB -0.041 29.724 29.762 0.004 0.000 1.392 1329 H HN -0.009 nan 8.280 nan 0.000 0.554 1330 V N 1.898 121.877 119.914 0.109 0.000 2.323 1330 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 1330 V C 2.582 178.702 176.094 0.044 0.000 1.041 1330 V CA 1.604 63.943 62.300 0.065 0.000 1.025 1330 V CB -0.456 31.395 31.823 0.046 0.000 0.656 1330 V HN 0.413 nan 8.190 nan 0.000 0.451 1331 I N -1.906 118.681 120.570 0.028 0.000 3.111 1331 I HA -0.035 4.135 4.170 -0.001 0.000 0.272 1331 I C 2.061 178.190 176.117 0.019 0.000 1.268 1331 I CA 1.217 62.527 61.300 0.017 0.000 1.467 1331 I CB -0.556 37.446 38.000 0.004 0.000 1.087 1331 I HN 0.279 nan 8.210 nan 0.000 0.467 1332 E N 1.533 121.752 120.200 0.032 0.000 2.106 1332 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 1332 E C 1.960 178.584 176.600 0.039 0.000 0.984 1332 E CA 1.115 57.540 56.400 0.042 0.000 0.806 1332 E CB 0.040 29.789 29.700 0.082 0.000 0.750 1332 E HN 0.537 nan 8.360 nan 0.000 0.458 1333 E N 0.330 120.556 120.200 0.043 0.000 2.107 1333 E HA -0.099 4.251 4.350 -0.001 0.000 0.191 1333 E C 2.316 178.931 176.600 0.025 0.000 0.982 1333 E CA 0.553 56.973 56.400 0.032 0.000 0.809 1333 E CB -0.042 29.678 29.700 0.034 0.000 0.756 1333 E HN 0.126 nan 8.360 nan 0.000 0.459 1334 V N 1.840 121.768 119.914 0.024 0.000 2.358 1334 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 1334 V C 2.499 178.601 176.094 0.014 0.000 1.047 1334 V CA 1.724 64.035 62.300 0.018 0.000 1.035 1334 V CB -0.886 30.947 31.823 0.017 0.000 0.658 1334 V HN 0.223 nan 8.190 nan 0.000 0.452 1335 A N 0.442 123.270 122.820 0.013 0.000 1.892 1335 A HA -0.306 4.013 4.320 -0.001 0.000 0.218 1335 A C 2.318 179.908 177.584 0.009 0.000 1.188 1335 A CA 2.479 54.522 52.037 0.009 0.000 0.631 1335 A CB -0.550 18.455 19.000 0.007 0.000 0.822 1335 A HN 0.467 nan 8.150 nan 0.000 0.447 1336 R N -0.070 120.437 120.500 0.012 0.000 2.090 1336 R HA 0.069 4.409 4.340 -0.001 0.000 0.228 1336 R C 2.160 178.467 176.300 0.011 0.000 1.110 1336 R CA 1.758 57.865 56.100 0.011 0.000 0.973 1336 R CB -0.882 29.426 30.300 0.012 0.000 0.869 1336 R HN 0.390 nan 8.270 nan 0.000 0.440 1337 A N 0.143 122.971 122.820 0.013 0.000 1.908 1337 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 1337 A C 2.161 179.752 177.584 0.012 0.000 1.181 1337 A CA 1.973 54.018 52.037 0.014 0.000 0.627 1337 A CB -0.852 18.158 19.000 0.017 0.000 0.818 1337 A HN 0.314 nan 8.150 nan 0.000 0.445 1338 V N -2.281 117.639 119.914 0.010 0.000 2.951 1338 V HA -0.045 4.074 4.120 -0.001 0.000 0.255 1338 V C 1.776 177.873 176.094 0.006 0.000 1.088 1338 V CA 2.140 64.444 62.300 0.008 0.000 1.109 1338 V CB -0.665 31.162 31.823 0.007 0.000 0.724 1338 V HN 0.452 nan 8.190 nan 0.000 0.471 1339 D N 1.152 121.555 120.400 0.005 0.000 2.178 1339 D HA -0.189 4.451 4.640 -0.001 0.000 0.201 1339 D C 1.682 177.985 176.300 0.004 0.000 0.980 1339 D CA 1.773 55.775 54.000 0.004 0.000 0.842 1339 D CB -0.043 40.759 40.800 0.003 0.000 0.948 1339 D HN 0.514 nan 8.370 nan 0.000 0.472 1340 D N -0.514 119.889 120.400 0.006 0.000 2.149 1340 D HA 0.035 4.675 4.640 -0.001 0.000 0.206 1340 D C 2.042 178.346 176.300 0.007 0.000 0.967 1340 D CA 1.250 55.254 54.000 0.007 0.000 0.848 1340 D CB -0.609 40.196 40.800 0.009 0.000 0.998 1340 D HN 0.253 nan 8.370 nan 0.000 0.474 1341 A N 0.849 123.674 122.820 0.008 0.000 1.908 1341 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 1341 A C 2.367 179.955 177.584 0.006 0.000 1.181 1341 A CA 1.420 53.462 52.037 0.008 0.000 0.627 1341 A CB -0.921 18.083 19.000 0.008 0.000 0.818 1341 A HN 0.188 nan 8.150 nan 0.000 0.445 1342 V N -0.153 119.764 119.914 0.005 0.000 2.759 1342 V HA -0.072 4.047 4.120 -0.001 0.000 0.256 1342 V C 2.258 178.355 176.094 0.004 0.000 1.080 1342 V CA 2.111 64.413 62.300 0.004 0.000 1.101 1342 V CB -0.615 31.210 31.823 0.003 0.000 0.698 1342 V HN 0.569 nan 8.190 nan 0.000 0.477 1343 G N -0.239 108.564 108.800 0.004 0.000 2.395 1343 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.214 1343 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.214 1343 G C 1.616 176.519 174.900 0.005 0.000 1.177 1343 G CA 1.220 46.323 45.100 0.004 0.000 0.794 1343 G HN 0.660 nan 8.290 nan 0.000 0.532 1344 V N -1.075 118.843 119.914 0.006 0.000 2.871 1344 V HA 0.002 4.121 4.120 -0.001 0.000 0.256 1344 V C 2.575 178.673 176.094 0.006 0.000 1.082 1344 V CA 1.200 63.504 62.300 0.007 0.000 1.105 1344 V CB -0.365 31.463 31.823 0.008 0.000 0.713 1344 V HN 0.114 nan 8.190 nan 0.000 0.473 1345 V N 2.014 121.931 119.914 0.006 0.000 2.379 1345 V HA -0.006 4.113 4.120 -0.001 0.000 0.245 1345 V C 2.920 179.017 176.094 0.005 0.000 1.044 1345 V CA 2.127 64.430 62.300 0.005 0.000 1.036 1345 V CB -1.321 30.505 31.823 0.004 0.000 0.664 1345 V HN 0.605 nan 8.190 nan 0.000 0.453 1346 G N -1.369 107.434 108.800 0.005 0.000 2.418 1346 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.217 1346 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.217 1346 G C 1.887 176.790 174.900 0.005 0.000 1.158 1346 G CA 1.199 46.302 45.100 0.004 0.000 0.771 1346 G HN 0.529 nan 8.290 nan 0.000 0.545 1347 C N 0.533 119.836 119.300 0.005 0.000 2.429 1347 C HA -0.021 4.439 4.460 -0.001 0.000 0.277 1347 C C 3.150 178.144 174.990 0.007 0.000 1.262 1347 C CA 2.000 61.021 59.018 0.006 0.000 1.733 1347 C CB -1.051 26.693 27.740 0.007 0.000 2.010 1347 C HN 0.399 nan 8.230 nan 0.000 0.483 1348 T N 1.018 115.576 114.554 0.007 0.000 2.833 1348 T HA -0.088 4.262 4.350 -0.001 0.000 0.269 1348 T C 1.570 176.273 174.700 0.006 0.000 1.054 1348 T CA 1.811 63.915 62.100 0.007 0.000 1.135 1348 T CB -0.247 68.625 68.868 0.006 0.000 0.869 1348 T HN 0.590 nan 8.240 nan 0.000 0.466 1349 I N 0.633 121.206 120.570 0.005 0.000 2.286 1349 I HA -0.074 4.096 4.170 -0.001 0.000 0.245 1349 I C 2.538 178.658 176.117 0.005 0.000 1.104 1349 I CA 1.204 62.507 61.300 0.005 0.000 1.397 1349 I CB -0.254 37.749 38.000 0.005 0.000 1.072 1349 I HN 0.261 nan 8.210 nan 0.000 0.417 1350 E N 0.161 120.364 120.200 0.005 0.000 2.152 1350 E HA -0.081 4.269 4.350 -0.001 0.000 0.192 1350 E C -0.114 176.490 176.600 0.006 0.000 0.983 1350 E CA 0.699 57.102 56.400 0.005 0.000 0.818 1350 E CB 0.222 29.925 29.700 0.005 0.000 0.758 1350 E HN 0.375 nan 8.360 nan 0.000 0.467 1351 D N -0.531 119.873 120.400 0.007 0.000 2.505 1351 D HA 0.140 4.779 4.640 -0.001 0.000 0.250 1351 D C -0.060 176.244 176.300 0.008 0.000 1.164 1351 D CA -0.165 53.840 54.000 0.008 0.000 0.870 1351 D CB 1.720 42.525 40.800 0.009 0.000 1.160 1351 D HN 0.084 nan 8.370 nan 0.000 0.549 1352 G N 2.061 110.866 108.800 0.008 0.000 3.279 1352 G HA2 0.005 3.964 3.960 -0.001 0.000 0.230 1352 G HA3 0.005 3.964 3.960 -0.001 0.000 0.230 1352 G C 0.616 175.521 174.900 0.009 0.000 1.230 1352 G CA -0.096 45.008 45.100 0.007 0.000 0.891 1352 G HN 0.096 nan 8.290 nan 0.000 0.518 1353 R N -0.067 120.439 120.500 0.010 0.000 2.437 1353 R HA 0.608 4.948 4.340 -0.001 0.000 0.310 1353 R C -0.475 175.832 176.300 0.012 0.000 0.955 1353 R CA -0.574 55.533 56.100 0.012 0.000 0.851 1353 R CB 1.519 31.827 30.300 0.013 0.000 1.161 1353 R HN 0.305 nan 8.270 nan 0.000 0.446 1354 I N -0.198 120.380 120.570 0.013 0.000 3.042 1354 I HA 0.843 5.013 4.170 -0.001 0.000 0.310 1354 I C -0.547 175.580 176.117 0.016 0.000 1.117 1354 I CA -1.246 60.062 61.300 0.013 0.000 1.003 1354 I CB 2.161 40.168 38.000 0.011 0.000 1.228 1354 I HN 0.315 nan 8.210 nan 0.000 0.443 1355 V N 0.139 120.064 119.914 0.017 0.000 3.130 1355 V HA 0.839 4.959 4.120 -0.001 0.000 0.310 1355 V C 0.071 176.179 176.094 0.023 0.000 1.158 1355 V CA -0.405 61.908 62.300 0.021 0.000 1.029 1355 V CB 1.160 32.998 31.823 0.024 0.000 1.057 1355 V HN 1.156 nan 8.190 nan 0.000 0.436 1356 S N 1.517 117.233 115.700 0.028 0.000 2.576 1356 S HA 0.700 5.170 4.470 -0.001 0.000 0.276 1356 S C 0.488 175.107 174.600 0.031 0.000 1.339 1356 S CA 0.154 58.372 58.200 0.030 0.000 1.039 1356 S CB 0.898 64.120 63.200 0.037 0.000 0.902 1356 S HN 1.803 nan 8.310 nan 0.000 0.516 1357 G N 0.071 108.890 108.800 0.031 0.000 2.641 1357 G HA2 0.556 4.516 3.960 -0.001 0.000 0.239 1357 G HA3 0.556 4.516 3.960 -0.001 0.000 0.239 1357 G C 0.893 175.812 174.900 0.031 0.000 1.402 1357 G CA -0.563 44.554 45.100 0.029 0.000 1.046 1357 G HN 2.025 nan 8.290 nan 0.000 0.565 1358 G N -2.224 106.594 108.800 0.029 0.000 2.155 1358 G HA2 0.237 4.196 3.960 -0.001 0.000 0.257 1358 G HA3 0.237 4.196 3.960 -0.001 0.000 0.257 1358 G C 1.460 176.361 174.900 0.003 0.000 0.983 1358 G CA 1.159 46.274 45.100 0.025 0.000 0.676 1358 G HN 2.515 nan 8.290 nan 0.000 0.528 1359 G N -1.294 107.500 108.800 -0.009 0.000 2.157 1359 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.248 1359 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.248 1359 G C 1.418 176.288 174.900 -0.049 0.000 0.979 1359 G CA 1.654 46.733 45.100 -0.036 0.000 0.650 1359 G HN 1.938 nan 8.290 nan 0.000 0.529 1360 S N 0.058 115.754 115.700 -0.007 0.000 2.368 1360 S HA -0.163 4.307 4.470 -0.001 0.000 0.225 1360 S C 2.800 177.390 174.600 -0.015 0.000 1.030 1360 S CA 2.803 61.018 58.200 0.026 0.000 0.999 1360 S CB -0.529 62.738 63.200 0.112 0.000 0.844 1360 S HN 1.410 nan 8.310 nan 0.000 0.459 1361 T N -0.395 114.159 114.554 0.001 0.000 2.701 1361 T HA -0.047 4.303 4.350 -0.001 0.000 0.263 1361 T C 1.565 176.230 174.700 -0.058 0.000 1.040 1361 T CA 1.542 63.641 62.100 -0.001 0.000 1.147 1361 T CB -0.874 67.999 68.868 0.008 0.000 0.865 1361 T HN 0.405 nan 8.240 nan 0.000 0.426 1362 E N 1.051 121.205 120.200 -0.076 0.000 2.130 1362 E HA -0.076 4.274 4.350 -0.001 0.000 0.196 1362 E C 2.289 178.797 176.600 -0.153 0.000 0.998 1362 E CA 1.075 57.412 56.400 -0.105 0.000 0.806 1362 E CB -0.765 28.875 29.700 -0.101 0.000 0.738 1362 E HN 0.434 nan 8.360 nan 0.000 0.459 1363 V N 0.436 120.212 119.914 -0.230 0.000 2.323 1363 V HA -0.221 3.899 4.120 -0.001 0.000 0.244 1363 V C 2.285 178.140 176.094 -0.399 0.000 1.041 1363 V CA 1.840 63.925 62.300 -0.360 0.000 1.025 1363 V CB -0.435 31.055 31.823 -0.555 0.000 0.656 1363 V HN 0.212 nan 8.190 nan 0.000 0.451 1364 E N 0.619 120.578 120.200 -0.401 0.000 2.097 1364 E HA -0.231 4.118 4.350 -0.001 0.000 0.196 1364 E C 2.034 178.599 176.600 -0.057 0.000 1.000 1364 E CA 1.714 58.080 56.400 -0.056 0.000 0.804 1364 E CB -0.398 29.383 29.700 0.135 0.000 0.740 1364 E HN 0.557 nan 8.360 nan 0.000 0.454 1365 L N -0.149 121.031 121.223 -0.072 0.000 2.056 1365 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 1365 L C 2.542 179.364 176.870 -0.080 0.000 1.078 1365 L CA 1.271 56.078 54.840 -0.056 0.000 0.749 1365 L CB -0.391 41.652 42.059 -0.027 0.000 0.901 1365 L HN 0.111 nan 8.230 nan 0.000 0.433 1366 S N -0.562 115.079 115.700 -0.099 0.000 2.382 1366 S HA -0.148 4.322 4.470 -0.001 0.000 0.228 1366 S C 2.015 176.560 174.600 -0.091 0.000 1.027 1366 S CA 1.224 59.370 58.200 -0.091 0.000 0.991 1366 S CB -0.109 63.028 63.200 -0.104 0.000 0.823 1366 S HN 0.270 nan 8.310 nan 0.000 0.469 1367 M N 1.383 120.924 119.600 -0.097 0.000 2.064 1367 M HA -0.049 4.431 4.480 -0.001 0.000 0.260 1367 M C 2.042 178.258 176.300 -0.140 0.000 1.073 1367 M CA 1.607 56.861 55.300 -0.077 0.000 1.124 1367 M CB -1.105 31.484 32.600 -0.018 0.000 1.326 1367 M HN 0.225 nan 8.290 nan 0.000 0.410 1368 K N 0.253 120.523 120.400 -0.216 0.000 2.103 1368 K HA 0.002 4.321 4.320 -0.001 0.000 0.204 1368 K C 2.061 178.148 176.600 -0.854 0.000 1.052 1368 K CA 0.873 56.868 56.287 -0.486 0.000 0.945 1368 K CB -0.179 32.049 32.500 -0.455 0.000 0.722 1368 K HN 0.261 nan 8.250 nan 0.000 0.443 1369 L N 0.535 121.465 121.223 -0.488 0.000 2.201 1369 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 1369 L C 2.341 179.154 176.870 -0.096 0.000 1.105 1369 L CA 0.964 55.647 54.840 -0.262 0.000 0.775 1369 L CB -0.276 41.778 42.059 -0.009 0.000 0.913 1369 L HN 0.129 nan 8.230 nan 0.000 0.440 1370 R N 0.043 120.485 120.500 -0.098 0.000 2.115 1370 R HA -0.149 4.191 4.340 -0.001 0.000 0.230 1370 R C 2.083 178.379 176.300 -0.005 0.000 1.111 1370 R CA 1.223 57.307 56.100 -0.027 0.000 0.976 1370 R CB -0.126 30.157 30.300 -0.028 0.000 0.870 1370 R HN 0.463 nan 8.270 nan 0.000 0.445 1371 E N -0.523 119.646 120.200 -0.051 0.000 2.107 1371 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 1371 E C 1.575 178.296 176.600 0.202 0.000 0.982 1371 E CA 0.809 57.235 56.400 0.044 0.000 0.809 1371 E CB 0.015 29.728 29.700 0.023 0.000 0.756 1371 E HN 0.320 nan 8.360 nan 0.000 0.459 1372 Y N 0.656 120.971 120.300 0.026 0.000 2.224 1372 Y HA -0.088 4.462 4.550 -0.001 0.000 0.289 1372 Y C 2.400 178.311 175.900 0.019 0.000 1.146 1372 Y CA 0.588 58.700 58.100 0.020 0.000 1.182 1372 Y CB -1.159 37.313 38.460 0.020 0.000 0.983 1372 Y HN 0.033 nan 8.280 nan 0.000 0.524 1373 A N 0.269 123.200 122.820 0.186 0.000 1.940 1373 A HA -0.169 4.151 4.320 -0.001 0.000 0.219 1373 A C 2.175 179.810 177.584 0.085 0.000 1.176 1373 A CA 1.675 53.781 52.037 0.114 0.000 0.631 1373 A CB -0.395 18.660 19.000 0.092 0.000 0.814 1373 A HN 0.319 nan 8.150 nan 0.000 0.446 1374 E N -0.548 119.703 120.200 0.084 0.000 2.106 1374 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 1374 E C 2.147 178.781 176.600 0.055 0.000 0.984 1374 E CA 1.139 57.576 56.400 0.062 0.000 0.806 1374 E CB -0.611 29.123 29.700 0.058 0.000 0.750 1374 E HN 0.595 nan 8.360 nan 0.000 0.458 1375 G N 0.915 109.757 108.800 0.069 0.000 2.430 1375 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.216 1375 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.216 1375 G C 1.742 176.658 174.900 0.027 0.000 1.146 1375 G CA 0.161 45.287 45.100 0.043 0.000 0.793 1375 G HN 0.142 nan 8.290 nan 0.000 0.537 1376 I N -0.106 120.487 120.570 0.037 0.000 2.163 1376 I HA -0.025 4.145 4.170 -0.001 0.000 0.240 1376 I C 1.762 177.891 176.117 0.019 0.000 1.081 1376 I CA 0.828 62.142 61.300 0.023 0.000 1.353 1376 I CB -0.304 37.716 38.000 0.034 0.000 1.054 1376 I HN 0.307 nan 8.210 nan 0.000 0.407 1377 S N -1.132 114.585 115.700 0.028 0.000 3.513 1377 S HA -0.119 4.350 4.470 -0.001 0.000 0.636 1377 S C 0.449 175.060 174.600 0.017 0.000 2.452 1377 S CA 0.757 58.971 58.200 0.022 0.000 2.644 1377 S CB -1.418 61.791 63.200 0.016 0.000 0.331 1377 S HN 1.457 nan 8.310 nan 0.000 1.787 1378 G N 0.662 109.470 108.800 0.013 0.000 2.601 1378 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.261 1378 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.261 1378 G C 0.329 175.236 174.900 0.012 0.000 1.289 1378 G CA 0.967 46.072 45.100 0.008 0.000 0.920 1378 G HN 1.090 nan 8.290 nan 0.000 0.571 1379 R N 0.213 120.717 120.500 0.007 0.000 2.115 1379 R HA 0.025 4.365 4.340 -0.001 0.000 0.226 1379 R C 2.535 178.841 176.300 0.011 0.000 1.100 1379 R CA 1.373 57.479 56.100 0.010 0.000 0.980 1379 R CB -0.235 30.070 30.300 0.007 0.000 0.875 1379 R HN 0.716 nan 8.270 nan 0.000 0.445 1380 E N 0.951 121.155 120.200 0.007 0.000 2.171 1380 E HA -0.262 4.087 4.350 -0.001 0.000 0.197 1380 E C 2.058 178.677 176.600 0.030 0.000 0.997 1380 E CA 1.076 57.481 56.400 0.008 0.000 0.810 1380 E CB 0.100 29.801 29.700 0.001 0.000 0.738 1380 E HN 0.205 nan 8.360 nan 0.000 0.467 1381 Q N 0.597 120.417 119.800 0.035 0.000 2.226 1381 Q HA -0.164 4.175 4.340 -0.001 0.000 0.204 1381 Q C 2.145 178.183 176.000 0.063 0.000 0.975 1381 Q CA 0.925 56.758 55.803 0.051 0.000 0.866 1381 Q CB -0.068 28.696 28.738 0.043 0.000 0.915 1381 Q HN 0.431 nan 8.270 nan 0.000 0.440 1382 L N 0.052 121.306 121.223 0.053 0.000 2.027 1382 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 1382 L C 2.607 179.535 176.870 0.096 0.000 1.074 1382 L CA 1.270 56.145 54.840 0.060 0.000 0.745 1382 L CB -0.658 41.425 42.059 0.039 0.000 0.898 1382 L HN 0.167 nan 8.230 nan 0.000 0.433 1383 A N -0.552 122.324 122.820 0.093 0.000 1.929 1383 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 1383 A C 2.312 180.098 177.584 0.336 0.000 1.176 1383 A CA 1.282 53.419 52.037 0.166 0.000 0.628 1383 A CB -0.679 18.303 19.000 -0.029 0.000 0.816 1383 A HN 0.178 nan 8.150 nan 0.000 0.444 1384 V N 0.136 120.176 119.914 0.209 0.000 2.343 1384 V HA -0.229 3.890 4.120 -0.001 0.000 0.247 1384 V C 2.673 178.897 176.094 0.217 0.000 1.051 1384 V CA 2.328 64.748 62.300 0.200 0.000 1.036 1384 V CB -0.789 31.101 31.823 0.112 0.000 0.654 1384 V HN 0.623 nan 8.190 nan 0.000 0.451 1385 R N 1.128 121.724 120.500 0.160 0.000 2.081 1385 R HA -0.065 4.275 4.340 -0.001 0.000 0.235 1385 R C 2.158 178.532 176.300 0.123 0.000 1.131 1385 R CA 1.923 58.094 56.100 0.118 0.000 0.960 1385 R CB -0.992 29.357 30.300 0.081 0.000 0.856 1385 R HN 0.431 nan 8.270 nan 0.000 0.436 1386 A N -0.456 122.463 122.820 0.165 0.000 1.933 1386 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 1386 A C 2.157 179.808 177.584 0.111 0.000 1.175 1386 A CA 1.331 53.459 52.037 0.151 0.000 0.628 1386 A CB -0.840 18.291 19.000 0.218 0.000 0.814 1386 A HN 0.486 nan 8.150 nan 0.000 0.444 1387 F N 0.983 120.943 119.950 0.018 0.000 2.075 1387 F HA -0.103 4.423 4.527 -0.001 0.000 0.297 1387 F C 2.536 178.258 175.800 -0.130 0.000 1.113 1387 F CA 1.518 59.401 58.000 -0.195 0.000 1.218 1387 F CB -0.397 38.517 39.000 -0.142 0.000 0.984 1387 F HN 0.245 nan 8.300 nan 0.000 0.472 1388 A N -0.172 122.720 122.820 0.120 0.000 1.902 1388 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 1388 A C 1.889 179.419 177.584 -0.089 0.000 1.181 1388 A CA 1.964 54.009 52.037 0.014 0.000 0.623 1388 A CB -0.977 18.064 19.000 0.069 0.000 0.818 1388 A HN 0.457 nan 8.150 nan 0.000 0.443 1389 D N 0.022 120.387 120.400 -0.058 0.000 2.219 1389 D HA 0.025 4.664 4.640 -0.001 0.000 0.205 1389 D C 2.116 178.348 176.300 -0.113 0.000 0.970 1389 D CA 1.190 55.150 54.000 -0.067 0.000 0.851 1389 D CB -0.349 40.434 40.800 -0.027 0.000 0.943 1389 D HN 0.426 nan 8.370 nan 0.000 0.488 1390 A N 0.620 123.336 122.820 -0.172 0.000 2.024 1390 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 1390 A C 2.244 179.696 177.584 -0.220 0.000 1.164 1390 A CA 0.766 52.675 52.037 -0.215 0.000 0.643 1390 A CB -0.714 18.086 19.000 -0.333 0.000 0.806 1390 A HN 0.245 nan 8.150 nan 0.000 0.451 1391 L N -0.359 120.719 121.223 -0.243 0.000 2.265 1391 L HA -0.141 4.199 4.340 -0.001 0.000 0.215 1391 L C 2.015 178.800 176.870 -0.142 0.000 1.117 1391 L CA 0.772 55.490 54.840 -0.202 0.000 0.782 1391 L CB -0.453 41.489 42.059 -0.195 0.000 0.914 1391 L HN 0.326 nan 8.230 nan 0.000 0.441 1392 E N -0.322 119.804 120.200 -0.123 0.000 2.409 1392 E HA -0.141 4.208 4.350 -0.001 0.000 0.198 1392 E C 2.181 178.730 176.600 -0.084 0.000 1.024 1392 E CA 0.607 56.950 56.400 -0.095 0.000 0.861 1392 E CB -0.192 29.460 29.700 -0.080 0.000 0.788 1392 E HN 0.306 nan 8.360 nan 0.000 0.521 1393 V N 0.864 120.723 119.914 -0.092 0.000 2.759 1393 V HA -0.187 3.933 4.120 -0.001 0.000 0.256 1393 V C 1.780 177.830 176.094 -0.073 0.000 1.080 1393 V CA 0.908 63.161 62.300 -0.079 0.000 1.101 1393 V CB -0.164 31.608 31.823 -0.084 0.000 0.698 1393 V HN 0.127 nan 8.190 nan 0.000 0.477 1394 I N 0.493 121.015 120.570 -0.080 0.000 2.296 1394 I HA 0.018 4.188 4.170 -0.001 0.000 0.242 1394 I C 0.128 176.207 176.117 -0.063 0.000 1.087 1394 I CA 1.181 62.439 61.300 -0.071 0.000 1.393 1394 I CB -2.734 35.221 38.000 -0.074 0.000 1.093 1394 I HN 0.307 nan 8.210 nan 0.000 0.421 1395 P HA -0.162 nan 4.420 nan 0.000 0.216 1395 P C 1.826 179.094 177.300 -0.053 0.000 1.150 1395 P CA 1.425 64.490 63.100 -0.058 0.000 0.843 1395 P CB -0.094 31.567 31.700 -0.065 0.000 0.787 1396 R N -0.627 119.840 120.500 -0.055 0.000 2.052 1396 R HA -0.013 4.326 4.340 -0.001 0.000 0.226 1396 R C 1.932 178.203 176.300 -0.048 0.000 1.145 1396 R CA 1.994 58.064 56.100 -0.049 0.000 0.952 1396 R CB -1.291 28.980 30.300 -0.049 0.000 0.847 1396 R HN 0.057 nan 8.270 nan 0.000 0.431 1397 T N 2.610 117.133 114.554 -0.051 0.000 2.833 1397 T HA -0.138 4.212 4.350 -0.001 0.000 0.269 1397 T C 1.724 176.392 174.700 -0.054 0.000 1.054 1397 T CA 1.140 63.210 62.100 -0.050 0.000 1.135 1397 T CB -0.219 68.618 68.868 -0.051 0.000 0.869 1397 T HN 0.113 nan 8.240 nan 0.000 0.466 1398 L N 1.607 122.796 121.223 -0.057 0.000 1.994 1398 L HA 0.075 4.415 4.340 -0.001 0.000 0.208 1398 L C 2.618 179.447 176.870 -0.068 0.000 1.071 1398 L CA 2.046 56.847 54.840 -0.065 0.000 0.745 1398 L CB -1.064 40.958 42.059 -0.061 0.000 0.892 1398 L HN 0.206 nan 8.230 nan 0.000 0.431 1399 A N -1.178 121.608 122.820 -0.057 0.000 2.019 1399 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 1399 A C 2.210 179.764 177.584 -0.050 0.000 1.164 1399 A CA 1.649 53.655 52.037 -0.053 0.000 0.644 1399 A CB -0.632 18.343 19.000 -0.042 0.000 0.805 1399 A HN 0.574 nan 8.150 nan 0.000 0.449 1400 E N 0.580 120.751 120.200 -0.048 0.000 2.072 1400 E HA -0.144 4.206 4.350 -0.001 0.000 0.191 1400 E C 1.704 178.276 176.600 -0.047 0.000 0.985 1400 E CA 1.445 57.819 56.400 -0.043 0.000 0.801 1400 E CB -0.162 29.514 29.700 -0.041 0.000 0.750 1400 E HN 0.548 nan 8.360 nan 0.000 0.452 1401 N N -0.052 118.615 118.700 -0.055 0.000 2.309 1401 N HA -0.090 4.649 4.740 -0.001 0.000 0.182 1401 N C 1.272 176.739 175.510 -0.071 0.000 1.018 1401 N CA 1.140 54.154 53.050 -0.061 0.000 0.876 1401 N CB -0.252 38.195 38.487 -0.067 0.000 0.972 1401 N HN 0.246 nan 8.380 nan 0.000 0.434 1402 A N -0.076 122.697 122.820 -0.079 0.000 2.119 1402 A HA 0.315 4.635 4.320 -0.001 0.000 0.216 1402 A C 1.482 179.030 177.584 -0.060 0.000 1.152 1402 A CA 1.032 53.018 52.037 -0.086 0.000 0.708 1402 A CB -0.396 18.547 19.000 -0.096 0.000 0.805 1402 A HN 0.309 nan 8.150 nan 0.000 0.460 1403 G N -1.277 107.494 108.800 -0.048 0.000 2.149 1403 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.235 1403 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.235 1403 G C -0.032 174.849 174.900 -0.030 0.000 1.018 1403 G CA 0.342 45.420 45.100 -0.036 0.000 0.728 1403 G HN 0.443 nan 8.290 nan 0.000 0.508 1404 L N -0.212 120.991 121.223 -0.033 0.000 2.387 1404 L HA 0.504 4.843 4.340 -0.001 0.000 0.266 1404 L C 0.539 177.395 176.870 -0.024 0.000 1.059 1404 L CA -1.116 53.708 54.840 -0.027 0.000 0.801 1404 L CB 0.782 42.823 42.059 -0.029 0.000 1.223 1404 L HN 0.099 nan 8.230 nan 0.000 0.456 1405 D N 0.803 121.192 120.400 -0.019 0.000 2.363 1405 D HA 0.085 4.724 4.640 -0.001 0.000 0.263 1405 D C 0.748 177.036 176.300 -0.021 0.000 1.258 1405 D CA 0.172 54.161 54.000 -0.018 0.000 0.907 1405 D CB 1.741 42.533 40.800 -0.014 0.000 1.107 1405 D HN 0.629 nan 8.370 nan 0.000 0.495 1406 A N 5.319 128.125 122.820 -0.023 0.000 1.940 1406 A HA -0.193 4.127 4.320 -0.001 0.000 0.219 1406 A C 2.071 179.641 177.584 -0.024 0.000 1.176 1406 A CA 0.945 52.967 52.037 -0.026 0.000 0.631 1406 A CB -0.179 18.805 19.000 -0.027 0.000 0.814 1406 A HN 0.698 nan 8.150 nan 0.000 0.446 1407 I N -0.709 119.849 120.570 -0.020 0.000 2.296 1407 I HA -0.120 4.050 4.170 -0.001 0.000 0.242 1407 I C 2.437 178.545 176.117 -0.015 0.000 1.087 1407 I CA 1.585 62.875 61.300 -0.018 0.000 1.393 1407 I CB -1.526 36.465 38.000 -0.015 0.000 1.093 1407 I HN 0.563 nan 8.210 nan 0.000 0.421 1408 E N 1.254 121.446 120.200 -0.013 0.000 2.077 1408 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 1408 E C 2.326 178.921 176.600 -0.010 0.000 0.989 1408 E CA 1.160 57.554 56.400 -0.010 0.000 0.800 1408 E CB 0.177 29.872 29.700 -0.008 0.000 0.746 1408 E HN 0.209 nan 8.360 nan 0.000 0.452 1409 I N 0.875 121.437 120.570 -0.013 0.000 2.127 1409 I HA -0.273 3.897 4.170 -0.001 0.000 0.241 1409 I C 2.415 178.524 176.117 -0.014 0.000 1.075 1409 I CA 1.013 62.305 61.300 -0.013 0.000 1.334 1409 I CB -0.982 37.007 38.000 -0.019 0.000 1.040 1409 I HN 0.275 nan 8.210 nan 0.000 0.405 1410 L N 0.009 121.220 121.223 -0.020 0.000 2.131 1410 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 1410 L C 2.540 179.399 176.870 -0.019 0.000 1.092 1410 L CA 1.253 56.078 54.840 -0.025 0.000 0.759 1410 L CB -0.952 41.088 42.059 -0.031 0.000 0.903 1410 L HN 0.004 nan 8.230 nan 0.000 0.435 1411 V N -1.154 118.752 119.914 -0.013 0.000 2.323 1411 V HA -0.237 3.883 4.120 -0.001 0.000 0.244 1411 V C 2.487 178.582 176.094 0.001 0.000 1.041 1411 V CA 1.378 63.674 62.300 -0.006 0.000 1.025 1411 V CB -0.391 31.429 31.823 -0.005 0.000 0.656 1411 V HN 0.300 nan 8.190 nan 0.000 0.451 1412 K N -0.185 120.216 120.400 0.001 0.000 2.155 1412 K HA -0.030 4.290 4.320 -0.001 0.000 0.203 1412 K C 1.864 178.474 176.600 0.015 0.000 1.052 1412 K CA 0.853 57.144 56.287 0.007 0.000 0.948 1412 K CB -0.438 32.065 32.500 0.005 0.000 0.728 1412 K HN 0.313 nan 8.250 nan 0.000 0.448 1413 V N 0.508 120.430 119.914 0.012 0.000 2.346 1413 V HA -0.157 3.963 4.120 -0.001 0.000 0.244 1413 V C 2.064 178.184 176.094 0.043 0.000 1.037 1413 V CA 1.531 63.845 62.300 0.023 0.000 1.029 1413 V CB -0.296 31.528 31.823 0.002 0.000 0.663 1413 V HN 0.224 nan 8.190 nan 0.000 0.454 1414 R N 0.153 120.663 120.500 0.017 0.000 2.115 1414 R HA -0.055 4.284 4.340 -0.001 0.000 0.230 1414 R C 2.390 178.727 176.300 0.061 0.000 1.111 1414 R CA 1.324 57.438 56.100 0.024 0.000 0.976 1414 R CB -0.491 29.801 30.300 -0.013 0.000 0.870 1414 R HN 0.534 nan 8.270 nan 0.000 0.445 1415 A N 1.272 124.116 122.820 0.039 0.000 1.873 1415 A HA -0.064 4.256 4.320 -0.001 0.000 0.215 1415 A C 2.364 179.972 177.584 0.040 0.000 1.186 1415 A CA 1.551 53.608 52.037 0.034 0.000 0.616 1415 A CB -0.610 18.402 19.000 0.019 0.000 0.823 1415 A HN 0.365 nan 8.150 nan 0.000 0.442 1416 A N -1.068 121.779 122.820 0.045 0.000 1.933 1416 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 1416 A C 2.006 179.616 177.584 0.044 0.000 1.175 1416 A CA 2.071 54.130 52.037 0.037 0.000 0.628 1416 A CB -0.856 18.165 19.000 0.036 0.000 0.814 1416 A HN 0.780 nan 8.150 nan 0.000 0.444 1417 H N -0.208 118.858 119.070 -0.007 0.000 2.326 1417 H HA 0.054 4.609 4.556 -0.001 0.000 0.301 1417 H C 2.216 177.539 175.328 -0.008 0.000 1.081 1417 H CA 1.971 58.014 56.048 -0.008 0.000 1.334 1417 H CB -0.198 29.557 29.762 -0.012 0.000 1.385 1417 H HN 0.388 nan 8.280 nan 0.000 0.504 1418 A N -0.638 122.244 122.820 0.104 0.000 1.908 1418 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 1418 A C 2.568 180.141 177.584 -0.019 0.000 1.181 1418 A CA 2.059 54.127 52.037 0.053 0.000 0.627 1418 A CB -1.064 17.973 19.000 0.063 0.000 0.818 1418 A HN 0.515 nan 8.150 nan 0.000 0.445 1419 S N -0.636 115.052 115.700 -0.019 0.000 2.341 1419 S HA -0.082 4.388 4.470 -0.001 0.000 0.216 1419 S C 1.876 176.447 174.600 -0.048 0.000 1.034 1419 S CA 1.062 59.247 58.200 -0.025 0.000 0.964 1419 S CB -0.398 62.796 63.200 -0.011 0.000 0.882 1419 S HN 0.597 nan 8.310 nan 0.000 0.469 1420 N N 1.085 119.750 118.700 -0.058 0.000 2.354 1420 N HA 0.231 4.970 4.740 -0.001 0.000 0.179 1420 N C 1.064 176.508 175.510 -0.109 0.000 1.021 1420 N CA 1.018 54.029 53.050 -0.065 0.000 0.887 1420 N CB -0.133 38.328 38.487 -0.044 0.000 0.974 1420 N HN 0.623 nan 8.380 nan 0.000 0.437 1421 G N 0.668 109.345 108.800 -0.206 0.000 2.498 1421 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.651 1421 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.651 1421 G C 0.146 174.786 174.900 -0.433 0.000 1.284 1421 G CA 0.043 44.960 45.100 -0.304 0.000 0.950 1421 G HN 0.349 nan 8.290 nan 0.000 0.511 1422 N N -0.307 118.192 118.700 -0.335 0.000 2.446 1422 N HA 0.003 4.743 4.740 -0.001 0.000 0.179 1422 N C 1.593 177.099 175.510 -0.006 0.000 1.054 1422 N CA 1.611 54.601 53.050 -0.100 0.000 0.905 1422 N CB -0.077 38.454 38.487 0.073 0.000 0.973 1422 N HN 0.883 nan 8.380 nan 0.000 0.448 1423 K N -1.001 119.377 120.400 -0.037 0.000 2.404 1423 K HA 0.265 4.585 4.320 -0.001 0.000 0.194 1423 K C -0.320 176.272 176.600 -0.013 0.000 1.023 1423 K CA -0.013 56.266 56.287 -0.012 0.000 1.094 1423 K CB 0.078 32.570 32.500 -0.015 0.000 0.841 1423 K HN 0.118 nan 8.250 nan 0.000 0.523 1424 C N 1.521 120.805 119.300 -0.027 0.000 3.114 1424 C HA 0.689 5.148 4.460 -0.001 0.000 0.215 1424 C C 0.142 175.132 174.990 -0.001 0.000 1.759 1424 C CA -0.706 58.301 59.018 -0.017 0.000 1.455 1424 C CB -0.570 27.149 27.740 -0.035 0.000 2.528 1424 C HN 0.598 nan 8.230 nan 0.000 0.511 1425 A N 0.077 122.917 122.820 0.034 0.000 2.593 1425 A HA 1.004 5.324 4.320 -0.001 0.000 0.304 1425 A C -0.076 177.553 177.584 0.075 0.000 1.233 1425 A CA 0.222 52.306 52.037 0.079 0.000 0.661 1425 A CB 0.342 19.452 19.000 0.183 0.000 1.338 1425 A HN 1.915 nan 8.150 nan 0.000 0.495 1426 G N -2.105 106.741 108.800 0.077 0.000 2.699 1426 G HA2 0.414 4.373 3.960 -0.001 0.000 0.686 1426 G HA3 0.414 4.373 3.960 -0.001 0.000 0.686 1426 G C -0.983 173.940 174.900 0.038 0.000 1.301 1426 G CA -0.096 45.032 45.100 0.048 0.000 0.816 1426 G HN 2.063 nan 8.290 nan 0.000 0.595 1427 L N 0.539 121.778 121.223 0.026 0.000 2.289 1427 L HA 0.773 5.113 4.340 -0.001 0.000 0.285 1427 L C 0.182 177.075 176.870 0.039 0.000 1.049 1427 L CA -1.026 53.826 54.840 0.021 0.000 0.804 1427 L CB 1.601 43.659 42.059 -0.002 0.000 1.195 1427 L HN 0.721 nan 8.230 nan 0.000 0.428 1428 N N 2.998 121.730 118.700 0.054 0.000 2.527 1428 N HA 0.212 4.951 4.740 -0.001 0.000 0.236 1428 N C 0.766 176.314 175.510 0.064 0.000 0.999 1428 N CA -0.222 52.891 53.050 0.105 0.000 0.935 1428 N CB 1.055 39.617 38.487 0.124 0.000 1.132 1428 N HN 0.525 nan 8.380 nan 0.000 0.511 1429 V N 1.324 121.229 119.914 -0.014 0.000 2.970 1429 V HA 0.023 4.142 4.120 -0.001 0.000 0.260 1429 V C 1.344 177.339 176.094 -0.164 0.000 1.100 1429 V CA 1.121 63.341 62.300 -0.134 0.000 1.122 1429 V CB -1.155 30.518 31.823 -0.251 0.000 0.721 1429 V HN 0.398 nan 8.190 nan 0.000 0.483 1430 F N 2.702 122.649 119.950 -0.004 0.000 2.234 1430 F HA -0.020 4.507 4.527 -0.001 0.000 0.299 1430 F C 2.595 178.393 175.800 -0.003 0.000 1.087 1430 F CA 1.869 59.867 58.000 -0.003 0.000 1.340 1430 F CB -0.568 38.431 39.000 -0.002 0.000 1.031 1430 F HN 0.424 nan 8.300 nan 0.000 0.500 1431 T N -4.561 110.094 114.554 0.167 0.000 2.985 1431 T HA 0.415 4.765 4.350 -0.001 0.000 0.254 1431 T C 1.427 176.155 174.700 0.046 0.000 1.021 1431 T CA 0.370 62.523 62.100 0.089 0.000 0.957 1431 T CB 0.346 69.259 68.868 0.075 0.000 1.047 1431 T HN 0.343 nan 8.240 nan 0.000 0.511 1432 G N 1.169 109.989 108.800 0.032 0.000 2.291 1432 G HA2 0.289 4.248 3.960 -0.001 0.000 0.271 1432 G HA3 0.289 4.248 3.960 -0.001 0.000 0.271 1432 G C 0.025 174.931 174.900 0.010 0.000 1.099 1432 G CA -0.221 44.883 45.100 0.005 0.000 0.919 1432 G HN 1.401 nan 8.290 nan 0.000 0.496 1433 A N -1.347 121.485 122.820 0.019 0.000 2.604 1433 A HA 0.883 5.203 4.320 -0.001 0.000 0.295 1433 A C 0.028 177.625 177.584 0.023 0.000 1.067 1433 A CA 0.096 52.144 52.037 0.018 0.000 0.683 1433 A CB 1.673 20.686 19.000 0.021 0.000 1.281 1433 A HN 1.783 nan 8.150 nan 0.000 0.407 1434 V N 1.866 121.791 119.914 0.019 0.000 2.599 1434 V HA 0.428 4.547 4.120 -0.001 0.000 0.300 1434 V C -0.223 175.888 176.094 0.027 0.000 1.034 1434 V CA 0.863 63.177 62.300 0.023 0.000 1.115 1434 V CB 0.537 32.373 31.823 0.021 0.000 0.934 1434 V HN 0.872 nan 8.190 nan 0.000 0.485 1435 E N 3.679 123.899 120.200 0.033 0.000 2.458 1435 E HA 0.315 4.665 4.350 -0.001 0.000 0.278 1435 E C -1.424 175.195 176.600 0.031 0.000 1.004 1435 E CA -0.716 55.703 56.400 0.032 0.000 0.823 1435 E CB 1.472 31.196 29.700 0.039 0.000 1.396 1435 E HN 0.715 nan 8.360 nan 0.000 0.463 1436 D N 1.923 122.338 120.400 0.024 0.000 2.393 1436 D HA 0.099 4.738 4.640 -0.001 0.000 0.232 1436 D C 0.928 177.242 176.300 0.023 0.000 1.192 1436 D CA -0.153 53.859 54.000 0.020 0.000 0.882 1436 D CB 0.542 41.348 40.800 0.010 0.000 1.038 1436 D HN 0.214 nan 8.370 nan 0.000 0.499 1437 M N 2.188 121.806 119.600 0.031 0.000 2.159 1437 M HA -0.144 4.335 4.480 -0.001 0.000 0.263 1437 M C 2.346 178.660 176.300 0.023 0.000 1.063 1437 M CA 0.639 55.960 55.300 0.034 0.000 1.110 1437 M CB -1.181 31.444 32.600 0.042 0.000 1.374 1437 M HN 0.535 nan 8.290 nan 0.000 0.411 1438 C N 0.712 120.023 119.300 0.019 0.000 2.453 1438 C HA -0.164 4.295 4.460 -0.001 0.000 0.277 1438 C C 2.688 177.681 174.990 0.005 0.000 1.262 1438 C CA 1.357 60.382 59.018 0.012 0.000 1.718 1438 C CB -0.914 26.832 27.740 0.010 0.000 2.031 1438 C HN 0.638 nan 8.230 nan 0.000 0.480 1439 E N 0.159 120.361 120.200 0.004 0.000 2.118 1439 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 1439 E C 1.391 177.989 176.600 -0.004 0.000 0.992 1439 E CA 1.350 57.750 56.400 -0.000 0.000 0.804 1439 E CB -0.208 29.492 29.700 0.000 0.000 0.741 1439 E HN 0.661 nan 8.360 nan 0.000 0.458 1440 N N -0.416 118.283 118.700 -0.002 0.000 2.461 1440 N HA -0.004 4.735 4.740 -0.001 0.000 0.188 1440 N C 0.769 176.267 175.510 -0.020 0.000 1.134 1440 N CA 0.935 53.977 53.050 -0.013 0.000 0.878 1440 N CB 0.906 39.389 38.487 -0.007 0.000 0.972 1440 N HN 0.343 nan 8.380 nan 0.000 0.456 1441 G N 0.460 109.254 108.800 -0.010 0.000 2.147 1441 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 1441 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 1441 G C -0.001 174.897 174.900 -0.004 0.000 1.005 1441 G CA 0.050 45.144 45.100 -0.010 0.000 0.713 1441 G HN 0.197 nan 8.290 nan 0.000 0.515 1442 V N 1.478 121.397 119.914 0.007 0.000 2.222 1442 V HA 0.503 4.623 4.120 -0.001 0.000 0.253 1442 V C 0.829 176.939 176.094 0.026 0.000 1.210 1442 V CA 0.159 62.473 62.300 0.024 0.000 1.079 1442 V CB 0.408 32.259 31.823 0.047 0.000 1.265 1442 V HN 1.048 nan 8.190 nan 0.000 0.494 1443 V N 1.927 121.853 119.914 0.020 0.000 3.130 1443 V HA 0.939 5.058 4.120 -0.001 0.000 0.310 1443 V C -0.761 175.344 176.094 0.018 0.000 1.158 1443 V CA -0.910 61.401 62.300 0.019 0.000 1.029 1443 V CB 2.438 34.269 31.823 0.014 0.000 1.057 1443 V HN 0.777 nan 8.190 nan 0.000 0.436 1444 E N 0.950 121.160 120.200 0.017 0.000 2.390 1444 E HA 0.658 5.007 4.350 -0.001 0.000 0.277 1444 E C -3.278 173.330 176.600 0.013 0.000 0.939 1444 E CA -2.370 54.039 56.400 0.015 0.000 0.769 1444 E CB 2.337 32.046 29.700 0.015 0.000 1.251 1444 E HN 0.453 nan 8.360 nan 0.000 0.450 1445 P HA -0.046 nan 4.420 nan 0.000 0.266 1445 P C 0.519 177.826 177.300 0.013 0.000 1.195 1445 P CA -0.340 62.767 63.100 0.012 0.000 0.768 1445 P CB 0.507 32.213 31.700 0.010 0.000 0.838 1446 L N 4.469 125.700 121.223 0.014 0.000 2.012 1446 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 1446 L C 2.418 179.297 176.870 0.016 0.000 1.073 1446 L CA 1.865 56.715 54.840 0.016 0.000 0.748 1446 L CB -0.835 41.234 42.059 0.017 0.000 0.891 1446 L HN 0.311 nan 8.230 nan 0.000 0.431 1447 R N -0.967 119.541 120.500 0.014 0.000 2.133 1447 R HA -0.187 4.153 4.340 -0.001 0.000 0.247 1447 R C 2.030 178.337 176.300 0.012 0.000 1.151 1447 R CA 2.132 58.240 56.100 0.013 0.000 0.971 1447 R CB -0.405 29.902 30.300 0.012 0.000 0.866 1447 R HN 0.395 nan 8.270 nan 0.000 0.447 1448 V N 1.043 120.964 119.914 0.011 0.000 2.295 1448 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 1448 V C 2.333 178.431 176.094 0.007 0.000 1.049 1448 V CA 2.084 64.389 62.300 0.008 0.000 1.024 1448 V CB -0.483 31.345 31.823 0.008 0.000 0.648 1448 V HN 0.283 nan 8.190 nan 0.000 0.447 1449 K N 0.790 121.196 120.400 0.009 0.000 2.103 1449 K HA -0.123 4.196 4.320 -0.001 0.000 0.204 1449 K C 2.225 178.833 176.600 0.014 0.000 1.052 1449 K CA 1.932 58.224 56.287 0.008 0.000 0.945 1449 K CB -0.669 31.837 32.500 0.011 0.000 0.722 1449 K HN 0.678 nan 8.250 nan 0.000 0.443 1450 T N -2.125 112.441 114.554 0.019 0.000 2.942 1450 T HA -0.072 4.277 4.350 -0.001 0.000 0.265 1450 T C 1.876 176.591 174.700 0.026 0.000 1.062 1450 T CA 0.820 62.936 62.100 0.027 0.000 1.139 1450 T CB -0.154 68.730 68.868 0.027 0.000 0.883 1450 T HN 0.104 nan 8.240 nan 0.000 0.468 1451 Q N 1.902 121.713 119.800 0.019 0.000 2.123 1451 Q HA 0.258 4.597 4.340 -0.001 0.000 0.199 1451 Q C 2.417 178.427 176.000 0.015 0.000 0.966 1451 Q CA 1.727 57.540 55.803 0.017 0.000 0.845 1451 Q CB -0.996 27.750 28.738 0.013 0.000 0.907 1451 Q HN 0.627 nan 8.270 nan 0.000 0.439 1452 A N 0.576 123.401 122.820 0.009 0.000 1.908 1452 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 1452 A C 1.946 179.532 177.584 0.003 0.000 1.181 1452 A CA 1.645 53.681 52.037 -0.001 0.000 0.627 1452 A CB -0.720 18.273 19.000 -0.012 0.000 0.818 1452 A HN 0.453 nan 8.150 nan 0.000 0.445 1453 I N -0.473 120.108 120.570 0.019 0.000 2.202 1453 I HA -0.206 3.963 4.170 -0.001 0.000 0.242 1453 I C 2.646 178.806 176.117 0.072 0.000 1.091 1453 I CA 1.936 63.267 61.300 0.051 0.000 1.368 1453 I CB -1.435 36.614 38.000 0.082 0.000 1.058 1453 I HN 0.470 nan 8.210 nan 0.000 0.410 1454 Q N 1.263 121.096 119.800 0.055 0.000 2.030 1454 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 1454 Q C 2.412 178.441 176.000 0.048 0.000 0.986 1454 Q CA 2.595 58.429 55.803 0.052 0.000 0.843 1454 Q CB -0.301 28.459 28.738 0.037 0.000 0.904 1454 Q HN 0.345 nan 8.270 nan 0.000 0.420 1455 S N 0.009 115.730 115.700 0.034 0.000 2.368 1455 S HA -0.096 4.374 4.470 -0.001 0.000 0.225 1455 S C 1.901 176.520 174.600 0.031 0.000 1.030 1455 S CA 0.969 59.186 58.200 0.028 0.000 0.999 1455 S CB -0.629 62.582 63.200 0.017 0.000 0.844 1455 S HN 0.595 nan 8.310 nan 0.000 0.459 1456 A N 1.568 124.403 122.820 0.025 0.000 1.877 1456 A HA 0.127 4.447 4.320 -0.001 0.000 0.216 1456 A C 2.353 179.968 177.584 0.053 0.000 1.186 1456 A CA 1.708 53.755 52.037 0.016 0.000 0.620 1456 A CB -1.108 17.878 19.000 -0.025 0.000 0.822 1456 A HN 0.508 nan 8.150 nan 0.000 0.443 1457 A N 0.737 123.616 122.820 0.097 0.000 1.898 1457 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 1457 A C 1.996 179.660 177.584 0.133 0.000 1.181 1457 A CA 1.740 53.877 52.037 0.168 0.000 0.620 1457 A CB -0.639 18.485 19.000 0.206 0.000 0.819 1457 A HN 0.786 nan 8.150 nan 0.000 0.442 1458 E N 0.286 120.540 120.200 0.091 0.000 2.208 1458 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 1458 E C 1.819 178.458 176.600 0.065 0.000 0.988 1458 E CA 1.396 57.839 56.400 0.072 0.000 0.828 1458 E CB -0.345 29.387 29.700 0.052 0.000 0.763 1458 E HN 0.633 nan 8.360 nan 0.000 0.478 1459 S N 0.287 116.024 115.700 0.061 0.000 2.446 1459 S HA -0.038 4.432 4.470 -0.001 0.000 0.225 1459 S C 2.005 176.642 174.600 0.063 0.000 1.016 1459 S CA 0.948 59.178 58.200 0.050 0.000 0.943 1459 S CB -0.276 62.945 63.200 0.035 0.000 0.786 1459 S HN 0.205 nan 8.310 nan 0.000 0.508 1460 T N 2.291 116.898 114.554 0.089 0.000 2.737 1460 T HA -0.043 4.307 4.350 -0.001 0.000 0.265 1460 T C 1.737 176.519 174.700 0.136 0.000 1.038 1460 T CA 1.569 63.746 62.100 0.128 0.000 1.144 1460 T CB -0.384 68.602 68.868 0.196 0.000 0.866 1460 T HN 0.660 nan 8.240 nan 0.000 0.434 1461 E N 0.718 121.000 120.200 0.137 0.000 2.110 1461 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 1461 E C 2.231 178.869 176.600 0.063 0.000 0.988 1461 E CA 0.850 57.310 56.400 0.099 0.000 0.804 1461 E CB -0.210 29.545 29.700 0.092 0.000 0.745 1461 E HN 0.451 nan 8.360 nan 0.000 0.458 1462 M N 0.685 120.320 119.600 0.059 0.000 2.073 1462 M HA -0.234 4.246 4.480 -0.001 0.000 0.258 1462 M C 2.358 178.683 176.300 0.040 0.000 1.070 1462 M CA 1.597 56.923 55.300 0.044 0.000 1.103 1462 M CB -0.201 32.424 32.600 0.041 0.000 1.321 1462 M HN 0.338 nan 8.290 nan 0.000 0.405 1463 L N 0.527 121.777 121.223 0.045 0.000 2.012 1463 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 1463 L C 2.248 179.136 176.870 0.031 0.000 1.073 1463 L CA 1.451 56.313 54.840 0.038 0.000 0.748 1463 L CB -0.323 41.759 42.059 0.038 0.000 0.891 1463 L HN 0.419 nan 8.230 nan 0.000 0.431 1464 L N -0.684 120.559 121.223 0.034 0.000 2.131 1464 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 1464 L C 2.683 179.560 176.870 0.011 0.000 1.092 1464 L CA 1.129 55.978 54.840 0.015 0.000 0.759 1464 L CB -0.469 41.598 42.059 0.013 0.000 0.903 1464 L HN 0.246 nan 8.230 nan 0.000 0.435 1465 R N -0.202 120.311 120.500 0.022 0.000 2.189 1465 R HA 0.062 4.401 4.340 -0.001 0.000 0.218 1465 R C 0.434 176.745 176.300 0.019 0.000 1.074 1465 R CA 0.525 56.638 56.100 0.021 0.000 0.991 1465 R CB -0.070 30.244 30.300 0.025 0.000 0.883 1465 R HN 0.278 nan 8.270 nan 0.000 0.457 1466 I N 0.834 121.416 120.570 0.020 0.000 2.331 1466 I HA 0.040 4.209 4.170 -0.001 0.000 0.292 1466 I C 0.265 176.392 176.117 0.017 0.000 0.998 1466 I CA 0.023 61.336 61.300 0.021 0.000 1.267 1466 I CB 1.520 39.536 38.000 0.028 0.000 1.386 1466 I HN -0.118 nan 8.210 nan 0.000 0.476 1467 D N 3.374 123.783 120.400 0.016 0.000 2.539 1467 D HA 0.110 4.750 4.640 -0.001 0.000 0.232 1467 D C -0.797 175.514 176.300 0.019 0.000 1.256 1467 D CA 0.239 54.246 54.000 0.011 0.000 0.810 1467 D CB 0.514 41.315 40.800 0.002 0.000 1.090 1467 D HN 0.432 nan 8.370 nan 0.000 0.519 1468 D N 0.036 120.450 120.400 0.023 0.000 2.861 1468 D HA 0.199 4.838 4.640 -0.001 0.000 0.216 1468 D C -1.363 174.951 176.300 0.024 0.000 1.323 1468 D CA -0.403 53.611 54.000 0.024 0.000 0.917 1468 D CB 1.902 42.713 40.800 0.018 0.000 1.582 1468 D HN -0.263 nan 8.370 nan 0.000 0.576 1469 V N 5.177 125.108 119.914 0.028 0.000 2.347 1469 V HA 0.477 4.597 4.120 -0.001 0.000 0.280 1469 V C 0.409 176.509 176.094 0.010 0.000 1.021 1469 V CA -0.551 61.761 62.300 0.021 0.000 0.847 1469 V CB 1.276 33.116 31.823 0.028 0.000 0.990 1469 V HN 0.477 nan 8.190 nan 0.000 0.444 1470 I N 4.913 125.485 120.570 0.003 0.000 2.371 1470 I HA 0.646 4.816 4.170 -0.001 0.000 0.282 1470 I C 0.396 176.507 176.117 -0.009 0.000 1.031 1470 I CA -0.210 61.090 61.300 -0.001 0.000 1.180 1470 I CB 1.294 39.294 38.000 0.001 0.000 1.336 1470 I HN 0.657 nan 8.210 nan 0.000 0.467 1471 A N 4.867 127.678 122.820 -0.015 0.000 2.337 1471 A HA 0.890 5.210 4.320 -0.001 0.000 0.329 1471 A C 0.106 177.680 177.584 -0.017 0.000 1.146 1471 A CA -0.499 51.524 52.037 -0.023 0.000 0.800 1471 A CB 1.205 20.182 19.000 -0.039 0.000 1.220 1471 A HN 0.718 nan 8.150 nan 0.000 0.472 1472 A N 1.766 124.577 122.820 -0.016 0.000 2.313 1472 A HA 0.547 4.867 4.320 -0.001 0.000 0.261 1472 A C 0.413 177.989 177.584 -0.014 0.000 1.090 1472 A CA -0.269 51.760 52.037 -0.013 0.000 0.807 1472 A CB -0.175 18.819 19.000 -0.010 0.000 1.055 1472 A HN 0.893 nan 8.150 nan 0.000 0.492 1473 E N 0.000 120.193 120.200 -0.011 0.000 2.725 1473 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 1473 E CA 0.000 56.394 56.400 -0.011 0.000 0.976 1473 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 1473 E HN 0.000 nan 8.360 nan 0.000 0.440