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 1pxx_1_B DATA FIRST_RESID 1033 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNIPFLRSLI MKYVLTSRSY LIDSPPTYNV DATA SEQUENCE HYGYKSWEAF SNLSYYTRAL PPVADDcPTP MGVKGNKELP DSKEVLEKVL DATA SEQUENCE LRREFIPDPQ GSNMMFAFFA QHFTHQFFKT DHKRGPGFTR GLGHGVDLNH DATA SEQUENCE IYGETLDRQH KLRLFKDGKL KYQVIGGEVY PPTVKDTQVE MIYPPHIPEN DATA SEQUENCE LQFAVGQEVF GLVPGLMMYA TIWLREHNRV CDILKQEHPE WGDEQLFQTS DATA SEQUENCE RLILIGETIK IVIEDYVQHL SGYHFKLKFD PELLFNQQFQ YQNRIASEFN DATA SEQUENCE TLYHWHPLLP DTFNIEDQEY SFKQFLYNNS ILLEHGLTQF VESFTRQIAG DATA SEQUENCE RVAGGRNVPI AVQAVAKASI DQSREMKYQS LNEYRKRFSL KPYTSFEELT DATA SEQUENCE GEKEMAAELK ALYSDIDVME LYPALLVEKP RPDAIFGETM VELGAPFSLK DATA SEQUENCE GLMGNPICSP QYWKPSTFGG EVGFKIINTA SIQSLIcNNV KGcPFTSFNV DATA SEQUENCE Q 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 1033 A HA 0.000 nan 4.320 nan 0.000 0.244 1033 A C 0.000 177.628 177.584 0.073 0.000 1.274 1033 A CA 0.000 52.071 52.037 0.056 0.000 0.836 1033 A CB 0.000 19.038 19.000 0.063 0.000 0.831 1034 N N 2.397 121.132 118.700 0.058 0.000 2.429 1034 N HA 0.157 4.897 4.740 0.000 0.000 0.271 1034 N C -1.284 174.248 175.510 0.036 0.000 1.272 1034 N CA -0.635 52.446 53.050 0.052 0.000 0.921 1034 N CB 0.984 39.490 38.487 0.031 0.000 1.128 1034 N HN 0.167 nan 8.380 nan 0.000 0.481 1035 P HA -0.067 nan 4.420 nan 0.000 0.228 1035 P C 0.281 177.555 177.300 -0.044 0.000 1.151 1035 P CA 0.722 63.860 63.100 0.063 0.000 0.770 1035 P CB 0.108 31.900 31.700 0.152 0.000 0.786 1036 c N -1.764 116.796 118.600 -0.066 0.000 2.791 1036 c HA 0.150 4.720 4.570 0.000 0.000 0.270 1036 c C 2.679 176.682 174.090 -0.145 0.000 1.257 1036 c CA -0.203 56.023 56.329 -0.171 0.000 1.699 1036 c CB -2.100 40.350 42.510 -0.100 0.000 1.904 1036 c HN 0.326 nan 8.230 nan 0.000 0.603 1037 c N 0.928 119.476 118.600 -0.086 0.000 2.410 1037 c HA -0.109 4.462 4.570 0.000 0.000 0.281 1037 c C 2.932 176.973 174.090 -0.083 0.000 1.318 1037 c CA 2.100 58.391 56.329 -0.064 0.000 1.776 1037 c CB -1.255 41.239 42.510 -0.026 0.000 1.942 1037 c HN 0.776 nan 8.230 nan 0.000 0.508 1038 S N 0.654 116.286 115.700 -0.114 0.000 2.603 1038 S HA -0.019 4.451 4.470 0.000 0.000 0.220 1038 S C 0.462 174.976 174.600 -0.143 0.000 0.967 1038 S CA 0.314 58.447 58.200 -0.112 0.000 0.920 1038 S CB -0.723 62.413 63.200 -0.106 0.000 0.773 1038 S HN 0.731 nan 8.310 nan 0.000 0.529 1039 N N 1.258 119.853 118.700 -0.175 0.000 2.714 1039 N HA -0.105 4.635 4.740 0.000 0.000 0.253 1039 N C -2.192 173.200 175.510 -0.197 0.000 1.024 1039 N CA 0.891 53.831 53.050 -0.183 0.000 0.726 1039 N CB -1.424 36.972 38.487 -0.152 0.000 0.908 1039 N HN 0.446 nan 8.380 nan 0.000 0.542 1040 P HA -0.076 nan 4.420 nan 0.000 0.214 1040 P C 0.487 177.701 177.300 -0.144 0.000 1.163 1040 P CA 0.891 63.831 63.100 -0.267 0.000 0.883 1040 P CB 0.143 31.451 31.700 -0.654 0.000 0.788 1041 c N 1.740 120.259 118.600 -0.135 0.000 2.634 1041 c HA 0.184 4.754 4.570 0.000 0.000 0.418 1041 c C 0.656 174.678 174.090 -0.113 0.000 1.373 1041 c CA -0.440 55.846 56.329 -0.072 0.000 1.756 1041 c CB -1.241 41.244 42.510 -0.041 0.000 2.589 1041 c HN 0.267 nan 8.230 nan 0.000 0.602 1042 Q N 1.871 121.593 119.800 -0.131 0.000 2.241 1042 Q HA 0.357 4.697 4.340 0.000 0.000 0.262 1042 Q C 0.348 176.190 176.000 -0.263 0.000 1.014 1042 Q CA -0.491 55.196 55.803 -0.193 0.000 0.885 1042 Q CB 0.701 29.311 28.738 -0.213 0.000 1.311 1042 Q HN 0.777 nan 8.270 nan 0.000 0.461 1043 N N 1.370 119.888 118.700 -0.304 0.000 2.747 1043 N HA -0.208 4.532 4.740 0.000 0.000 0.249 1043 N C -0.598 174.812 175.510 -0.168 0.000 1.107 1043 N CA 0.831 53.679 53.050 -0.337 0.000 0.707 1043 N CB -0.343 37.673 38.487 -0.784 0.000 1.054 1043 N HN 0.663 nan 8.380 nan 0.000 0.555 1044 R N -3.906 116.517 120.500 -0.127 0.000 3.804 1044 R HA -0.117 4.223 4.340 0.000 0.000 0.459 1044 R C 0.791 177.072 176.300 -0.031 0.000 1.009 1044 R CA 1.168 57.225 56.100 -0.072 0.000 1.210 1044 R CB -2.145 28.131 30.300 -0.039 0.000 1.860 1044 R HN 0.447 nan 8.270 nan 0.000 0.526 1045 G N 1.546 110.321 108.800 -0.042 0.000 2.442 1045 G HA2 0.331 4.292 3.960 0.000 0.000 0.249 1045 G HA3 0.331 4.292 3.960 0.000 0.000 0.249 1045 G C 0.181 175.085 174.900 0.007 0.000 1.263 1045 G CA -0.392 44.708 45.100 -0.001 0.000 0.846 1045 G HN 0.124 nan 8.290 nan 0.000 0.555 1046 E N 0.641 120.866 120.200 0.042 0.000 2.229 1046 E HA 0.183 4.533 4.350 0.000 0.000 0.283 1046 E C -0.547 176.090 176.600 0.061 0.000 1.030 1046 E CA -0.499 55.936 56.400 0.059 0.000 0.836 1046 E CB 1.768 31.524 29.700 0.094 0.000 1.068 1046 E HN 0.303 nan 8.360 nan 0.000 0.401 1047 c N 5.035 123.656 118.600 0.035 0.000 2.347 1047 c HA 0.475 5.045 4.570 0.000 0.000 0.353 1047 c C -0.031 174.104 174.090 0.076 0.000 1.273 1047 c CA -0.366 55.992 56.329 0.048 0.000 1.861 1047 c CB -0.591 41.879 42.510 -0.068 0.000 2.420 1047 c HN 0.769 nan 8.230 nan 0.000 0.542 1048 M N 6.081 125.753 119.600 0.120 0.000 2.204 1048 M HA 0.329 4.809 4.480 0.000 0.000 0.293 1048 M C 0.110 176.475 176.300 0.107 0.000 0.994 1048 M CA -0.073 55.281 55.300 0.090 0.000 0.925 1048 M CB 1.834 34.475 32.600 0.067 0.000 1.577 1048 M HN 0.806 nan 8.290 nan 0.000 0.439 1049 S N 2.717 118.460 115.700 0.071 0.000 2.466 1049 S HA 0.182 4.652 4.470 0.000 0.000 0.286 1049 S C 0.355 174.962 174.600 0.011 0.000 1.221 1049 S CA -0.366 57.874 58.200 0.067 0.000 1.091 1049 S CB -0.285 62.932 63.200 0.028 0.000 0.956 1049 S HN 0.716 nan 8.310 nan 0.000 0.501 1050 T N 0.612 115.178 114.554 0.020 0.000 3.355 1050 T HA 0.640 4.990 4.350 0.000 0.000 0.376 1050 T C 0.626 175.303 174.700 -0.038 0.000 1.683 1050 T CA -0.017 62.068 62.100 -0.025 0.000 1.269 1050 T CB -0.693 68.157 68.868 -0.029 0.000 1.158 1050 T HN 1.775 nan 8.240 nan 0.000 0.703 1051 G N 1.493 110.244 108.800 -0.083 0.000 2.497 1051 G HA2 -0.048 3.912 3.960 0.000 0.000 0.686 1051 G HA3 -0.048 3.912 3.960 0.000 0.000 0.686 1051 G C -0.163 174.693 174.900 -0.074 0.000 1.288 1051 G CA -0.715 44.334 45.100 -0.086 0.000 0.899 1051 G HN 0.308 nan 8.290 nan 0.000 0.608 1052 F N -0.155 119.806 119.950 0.019 0.000 2.333 1052 F HA 0.119 4.646 4.527 0.000 0.000 0.300 1052 F C 1.763 177.582 175.800 0.032 0.000 1.083 1052 F CA 1.672 59.685 58.000 0.022 0.000 1.395 1052 F CB 0.411 39.421 39.000 0.017 0.000 1.056 1052 F HN 0.316 nan 8.300 nan 0.000 0.529 1053 D N -0.773 119.754 120.400 0.210 0.000 2.822 1053 D HA 0.150 4.790 4.640 0.000 0.000 0.327 1053 D C -0.570 175.807 176.300 0.129 0.000 1.577 1053 D CA 0.182 54.276 54.000 0.156 0.000 0.785 1053 D CB 0.426 41.303 40.800 0.127 0.000 1.199 1053 D HN 0.202 nan 8.370 nan 0.000 0.443 1054 Q N -0.065 119.803 119.800 0.114 0.000 2.421 1054 Q HA 0.567 4.907 4.340 0.000 0.000 0.280 1054 Q C -0.979 175.093 176.000 0.119 0.000 1.085 1054 Q CA -0.932 54.914 55.803 0.072 0.000 0.807 1054 Q CB 2.640 31.376 28.738 -0.004 0.000 1.405 1054 Q HN 0.203 nan 8.270 nan 0.000 0.419 1055 Y N -1.425 118.878 120.300 0.005 0.000 2.805 1055 Y HA 0.912 5.463 4.550 0.000 0.000 0.323 1055 Y C -1.378 174.522 175.900 0.000 0.000 1.279 1055 Y CA -1.316 56.784 58.100 -0.001 0.000 1.103 1055 Y CB 1.528 39.988 38.460 -0.000 0.000 1.324 1055 Y HN 0.540 nan 8.280 nan 0.000 0.498 1056 K N 0.178 120.652 120.400 0.124 0.000 2.542 1056 K HA 0.649 4.969 4.320 0.000 0.000 0.259 1056 K C -2.443 174.275 176.600 0.196 0.000 0.932 1056 K CA -0.226 56.069 56.287 0.014 0.000 0.820 1056 K CB 1.839 34.332 32.500 -0.010 0.000 1.345 1056 K HN 0.968 nan 8.250 nan 0.000 0.432 1057 c N 2.698 121.389 118.600 0.151 0.000 2.303 1057 c HA 0.465 5.035 4.570 0.000 0.000 0.326 1057 c C -0.913 173.233 174.090 0.093 0.000 1.285 1057 c CA -0.630 55.788 56.329 0.148 0.000 1.675 1057 c CB 0.654 43.257 42.510 0.156 0.000 2.289 1057 c HN 0.793 nan 8.230 nan 0.000 0.512 1058 D N 1.849 122.298 120.400 0.081 0.000 2.380 1058 D HA 0.222 4.862 4.640 0.000 0.000 0.230 1058 D C 0.341 176.683 176.300 0.071 0.000 1.154 1058 D CA -0.187 53.854 54.000 0.068 0.000 0.859 1058 D CB 0.724 41.561 40.800 0.061 0.000 1.045 1058 D HN 0.640 nan 8.370 nan 0.000 0.495 1059 c N 2.771 121.421 118.600 0.083 0.000 2.754 1059 c HA 0.120 4.690 4.570 0.000 0.000 0.276 1059 c C 0.737 174.889 174.090 0.103 0.000 1.264 1059 c CA -0.277 56.115 56.329 0.104 0.000 1.700 1059 c CB -1.399 41.199 42.510 0.147 0.000 1.885 1059 c HN 0.546 nan 8.230 nan 0.000 0.607 1060 T N 1.631 116.230 114.554 0.075 0.000 2.819 1060 T HA -0.019 4.331 4.350 0.000 0.000 0.282 1060 T C 0.945 175.684 174.700 0.064 0.000 1.013 1060 T CA 0.595 62.731 62.100 0.060 0.000 1.159 1060 T CB -0.043 68.850 68.868 0.042 0.000 1.007 1060 T HN 0.613 nan 8.240 nan 0.000 0.514 1061 R N 0.074 120.611 120.500 0.061 0.000 3.932 1061 R HA -0.237 4.104 4.340 0.000 0.000 0.318 1061 R C 1.708 178.060 176.300 0.087 0.000 1.219 1061 R CA 1.261 57.395 56.100 0.058 0.000 0.889 1061 R CB -2.286 28.038 30.300 0.039 0.000 1.309 1061 R HN 0.952 nan 8.270 nan 0.000 0.537 1062 T N -4.958 109.675 114.554 0.132 0.000 3.014 1062 T HA 0.217 4.568 4.350 0.000 0.000 0.263 1062 T C 1.575 176.480 174.700 0.342 0.000 1.078 1062 T CA 0.901 63.122 62.100 0.202 0.000 1.135 1062 T CB 0.670 69.658 68.868 0.200 0.000 0.895 1062 T HN 0.634 nan 8.240 nan 0.000 0.480 1063 G N 0.688 109.633 108.800 0.241 0.000 2.179 1063 G HA2 -0.097 3.864 3.960 0.000 0.000 0.220 1063 G HA3 -0.097 3.864 3.960 0.000 0.000 0.220 1063 G C -0.159 174.651 174.900 -0.150 0.000 0.990 1063 G CA -0.151 44.973 45.100 0.040 0.000 0.646 1063 G HN 0.535 nan 8.290 nan 0.000 0.517 1064 F N -0.339 119.675 119.950 0.108 0.000 2.650 1064 F HA 0.824 5.351 4.527 0.000 0.000 0.320 1064 F C 0.294 176.229 175.800 0.225 0.000 1.091 1064 F CA -1.503 56.577 58.000 0.134 0.000 0.962 1064 F CB 1.011 40.020 39.000 0.014 0.000 1.363 1064 F HN 0.236 nan 8.300 nan 0.000 0.482 1065 Y N -1.383 119.047 120.300 0.217 0.000 2.857 1065 Y HA 0.944 5.494 4.550 0.000 0.000 0.318 1065 Y C 0.110 176.082 175.900 0.120 0.000 1.313 1065 Y CA -1.873 56.303 58.100 0.127 0.000 1.117 1065 Y CB 1.347 39.852 38.460 0.075 0.000 1.344 1065 Y HN 1.036 nan 8.280 nan 0.000 0.525 1066 G N 0.389 109.276 108.800 0.145 0.000 2.697 1066 G HA2 -0.183 3.777 3.960 0.000 0.000 0.686 1066 G HA3 -0.183 3.777 3.960 0.000 0.000 0.686 1066 G C 0.078 175.009 174.900 0.053 0.000 1.179 1066 G CA -0.136 44.980 45.100 0.026 0.000 0.765 1066 G HN 1.097 nan 8.290 nan 0.000 0.649 1067 E N 0.178 120.400 120.200 0.036 0.000 2.164 1067 E HA -0.265 4.085 4.350 0.000 0.000 0.206 1067 E C 1.499 178.149 176.600 0.084 0.000 1.032 1067 E CA 1.866 58.284 56.400 0.031 0.000 0.832 1067 E CB -0.039 29.664 29.700 0.005 0.000 0.742 1067 E HN 0.459 nan 8.360 nan 0.000 0.460 1068 N N -1.137 117.606 118.700 0.071 0.000 2.204 1068 N HA 0.069 4.810 4.740 0.000 0.000 0.219 1068 N C -0.434 175.078 175.510 0.003 0.000 1.151 1068 N CA 0.412 53.504 53.050 0.069 0.000 0.867 1068 N CB 0.552 39.068 38.487 0.048 0.000 1.043 1068 N HN 0.135 nan 8.380 nan 0.000 0.516 1069 c N 0.778 119.389 118.600 0.018 0.000 4.545 1069 c HA -0.116 4.455 4.570 0.000 0.000 0.300 1069 c C 1.778 175.810 174.090 -0.098 0.000 1.337 1069 c CA 1.194 57.527 56.329 0.007 0.000 2.032 1069 c CB -2.856 39.630 42.510 -0.039 0.000 1.236 1069 c HN 0.623 nan 8.230 nan 0.000 0.774 1070 T N -5.308 109.222 114.554 -0.041 0.000 2.959 1070 T HA 0.154 4.504 4.350 0.000 0.000 0.254 1070 T C 0.347 175.126 174.700 0.133 0.000 1.003 1070 T CA 0.669 62.750 62.100 -0.032 0.000 0.950 1070 T CB 0.140 68.973 68.868 -0.057 0.000 1.090 1070 T HN 0.499 nan 8.240 nan 0.000 0.503 1071 T N 5.989 120.508 114.554 -0.058 0.000 2.738 1071 T HA 0.355 4.706 4.350 0.000 0.000 0.294 1071 T C -2.588 171.968 174.700 -0.240 0.000 0.914 1071 T CA -1.031 60.877 62.100 -0.320 0.000 1.052 1071 T CB 0.902 69.201 68.868 -0.948 0.000 0.897 1071 T HN 0.301 nan 8.240 nan 0.000 0.522 1072 P HA 0.241 nan 4.420 nan 0.000 0.274 1072 P C -0.117 177.133 177.300 -0.083 0.000 1.231 1072 P CA -0.453 62.411 63.100 -0.392 0.000 0.790 1072 P CB 1.101 32.562 31.700 -0.398 0.000 0.951 1073 E N 0.551 120.687 120.200 -0.107 0.000 2.345 1073 E HA 0.105 4.455 4.350 0.000 0.000 0.259 1073 E C 0.793 177.424 176.600 0.051 0.000 1.117 1073 E CA -0.507 55.950 56.400 0.096 0.000 0.913 1073 E CB 0.189 29.907 29.700 0.030 0.000 1.057 1073 E HN 0.330 nan 8.360 nan 0.000 0.432 1074 F N 1.891 121.828 119.950 -0.023 0.000 2.015 1074 F HA -0.283 4.244 4.527 0.000 0.000 0.297 1074 F C 1.916 177.682 175.800 -0.056 0.000 1.141 1074 F CA 1.902 59.882 58.000 -0.033 0.000 1.192 1074 F CB -0.609 38.376 39.000 -0.025 0.000 0.957 1074 F HN 0.497 nan 8.300 nan 0.000 0.491 1075 L N 0.264 121.399 121.223 -0.147 0.000 2.137 1075 L HA -0.220 4.120 4.340 0.000 0.000 0.213 1075 L C 2.092 178.811 176.870 -0.251 0.000 1.085 1075 L CA 2.623 57.310 54.840 -0.256 0.000 0.760 1075 L CB -1.484 40.528 42.059 -0.079 0.000 0.893 1075 L HN 0.333 nan 8.230 nan 0.000 0.434 1076 T N 0.017 114.438 114.554 -0.221 0.000 2.708 1076 T HA -0.171 4.180 4.350 0.000 0.000 0.266 1076 T C 1.854 176.408 174.700 -0.242 0.000 1.037 1076 T CA 1.825 63.769 62.100 -0.260 0.000 1.146 1076 T CB -0.199 68.400 68.868 -0.447 0.000 0.865 1076 T HN 0.495 nan 8.240 nan 0.000 0.435 1077 R N 0.499 120.849 120.500 -0.250 0.000 2.105 1077 R HA -0.045 4.296 4.340 0.000 0.000 0.239 1077 R C 2.180 178.356 176.300 -0.206 0.000 1.135 1077 R CA 1.209 57.191 56.100 -0.196 0.000 0.967 1077 R CB -0.637 29.565 30.300 -0.164 0.000 0.861 1077 R HN 0.325 nan 8.270 nan 0.000 0.442 1078 I N 1.503 121.889 120.570 -0.307 0.000 2.252 1078 I HA -0.194 3.977 4.170 0.000 0.000 0.245 1078 I C 1.947 177.970 176.117 -0.157 0.000 1.102 1078 I CA 1.547 62.692 61.300 -0.258 0.000 1.385 1078 I CB -0.172 37.622 38.000 -0.343 0.000 1.064 1078 I HN 0.027 nan 8.210 nan 0.000 0.414 1079 K N 0.004 120.315 120.400 -0.148 0.000 2.217 1079 K HA -0.003 4.317 4.320 0.000 0.000 0.202 1079 K C 2.031 178.596 176.600 -0.059 0.000 1.051 1079 K CA 0.922 57.152 56.287 -0.094 0.000 0.952 1079 K CB -0.137 32.306 32.500 -0.095 0.000 0.736 1079 K HN 0.271 nan 8.250 nan 0.000 0.453 1080 L N 0.338 121.523 121.223 -0.064 0.000 2.109 1080 L HA -0.154 4.186 4.340 0.000 0.000 0.207 1080 L C 1.888 178.748 176.870 -0.017 0.000 1.086 1080 L CA 0.613 55.441 54.840 -0.020 0.000 0.760 1080 L CB -0.211 41.839 42.059 -0.014 0.000 0.910 1080 L HN 0.149 nan 8.230 nan 0.000 0.437 1081 L N -0.761 120.438 121.223 -0.040 0.000 2.044 1081 L HA -0.148 4.192 4.340 0.000 0.000 0.205 1081 L C 1.829 178.685 176.870 -0.024 0.000 1.075 1081 L CA 1.437 56.258 54.840 -0.031 0.000 0.747 1081 L CB -0.773 41.258 42.059 -0.047 0.000 0.903 1081 L HN 0.151 nan 8.230 nan 0.000 0.435 1082 L N -0.594 120.609 121.223 -0.033 0.000 2.675 1082 L HA 0.066 4.406 4.340 0.000 0.000 0.239 1082 L C 0.897 177.763 176.870 -0.007 0.000 1.151 1082 L CA 0.372 55.197 54.840 -0.025 0.000 0.905 1082 L CB -1.592 40.445 42.059 -0.037 0.000 1.057 1082 L HN 0.115 nan 8.230 nan 0.000 0.435 1083 K N 2.761 123.164 120.400 0.005 0.000 2.253 1083 K HA 0.334 4.654 4.320 0.000 0.000 0.277 1083 K C -2.288 174.337 176.600 0.042 0.000 1.053 1083 K CA -1.473 54.832 56.287 0.031 0.000 0.892 1083 K CB 1.386 33.910 32.500 0.040 0.000 1.102 1083 K HN -0.026 nan 8.250 nan 0.000 0.469 1084 P HA 0.079 nan 4.420 nan 0.000 0.282 1084 P C -0.398 176.953 177.300 0.084 0.000 1.249 1084 P CA -0.416 62.720 63.100 0.060 0.000 0.806 1084 P CB 1.038 32.775 31.700 0.061 0.000 0.984 1085 T N -0.123 114.479 114.554 0.079 0.000 2.900 1085 T HA 0.150 4.500 4.350 0.000 0.000 0.307 1085 T C -1.637 173.138 174.700 0.125 0.000 1.065 1085 T CA -1.170 60.985 62.100 0.091 0.000 1.105 1085 T CB -0.014 68.899 68.868 0.075 0.000 0.979 1085 T HN 0.157 nan 8.240 nan 0.000 0.544 1086 P HA -0.117 nan 4.420 nan 0.000 0.217 1086 P C 1.343 178.770 177.300 0.211 0.000 1.151 1086 P CA 1.167 64.362 63.100 0.157 0.000 0.849 1086 P CB -0.018 31.757 31.700 0.126 0.000 0.787 1087 N N -1.726 117.091 118.700 0.196 0.000 2.396 1087 N HA -0.042 4.698 4.740 0.000 0.000 0.180 1087 N C 1.471 177.125 175.510 0.240 0.000 1.028 1087 N CA 1.153 54.344 53.050 0.234 0.000 0.893 1087 N CB -0.463 38.126 38.487 0.170 0.000 0.967 1087 N HN 0.206 nan 8.380 nan 0.000 0.440 1088 T N 0.996 115.664 114.554 0.190 0.000 2.809 1088 T HA -0.001 4.349 4.350 0.000 0.000 0.260 1088 T C 2.303 177.164 174.700 0.268 0.000 1.039 1088 T CA 0.562 62.767 62.100 0.175 0.000 1.141 1088 T CB -0.096 68.835 68.868 0.105 0.000 0.869 1088 T HN -0.075 nan 8.240 nan 0.000 0.437 1089 V N 1.514 121.572 119.914 0.240 0.000 2.295 1089 V HA -0.208 3.912 4.120 0.000 0.000 0.246 1089 V C 2.417 178.688 176.094 0.296 0.000 1.049 1089 V CA 1.943 64.388 62.300 0.240 0.000 1.024 1089 V CB -0.782 31.163 31.823 0.204 0.000 0.648 1089 V HN 0.531 nan 8.190 nan 0.000 0.447 1090 H N -0.593 118.597 119.070 0.201 0.000 2.353 1090 H HA -0.261 4.295 4.556 0.000 0.000 0.298 1090 H C 2.110 177.597 175.328 0.264 0.000 1.103 1090 H CA 2.337 58.519 56.048 0.223 0.000 1.293 1090 H CB -0.577 29.331 29.762 0.242 0.000 1.372 1090 H HN 0.554 nan 8.280 nan 0.000 0.501 1091 Y N 0.130 120.555 120.300 0.209 0.000 2.181 1091 Y HA -0.141 4.410 4.550 0.000 0.000 0.288 1091 Y C 2.472 178.622 175.900 0.417 0.000 1.146 1091 Y CA 1.914 60.152 58.100 0.229 0.000 1.164 1091 Y CB -0.316 38.230 38.460 0.144 0.000 0.982 1091 Y HN 0.186 nan 8.280 nan 0.000 0.515 1092 I N -0.885 120.064 120.570 0.632 0.000 2.439 1092 I HA -0.242 3.928 4.170 0.000 0.000 0.251 1092 I C 1.806 178.380 176.117 0.763 0.000 1.139 1092 I CA 0.397 62.167 61.300 0.782 0.000 1.438 1092 I CB -0.270 38.060 38.000 0.550 0.000 1.085 1092 I HN 0.223 nan 8.210 nan 0.000 0.427 1093 L N 0.399 121.828 121.223 0.345 0.000 2.291 1093 L HA -0.090 4.250 4.340 0.000 0.000 0.214 1093 L C 2.395 179.226 176.870 -0.065 0.000 1.120 1093 L CA 2.085 56.852 54.840 -0.121 0.000 0.799 1093 L CB -1.317 40.311 42.059 -0.719 0.000 0.925 1093 L HN 0.427 nan 8.230 nan 0.000 0.446 1094 T N -5.292 109.320 114.554 0.096 0.000 3.054 1094 T HA 0.154 4.504 4.350 0.000 0.000 0.255 1094 T C 0.793 175.351 174.700 -0.237 0.000 1.035 1094 T CA -0.236 61.745 62.100 -0.197 0.000 0.941 1094 T CB 0.084 68.779 68.868 -0.288 0.000 1.026 1094 T HN 0.158 nan 8.240 nan 0.000 0.533 1095 H N -0.017 119.131 119.070 0.129 0.000 2.812 1095 H HA 0.437 4.994 4.556 0.000 0.000 0.355 1095 H C -0.392 174.980 175.328 0.073 0.000 1.207 1095 H CA -1.117 54.803 56.048 -0.213 0.000 1.217 1095 H CB 1.018 30.087 29.762 -1.156 0.000 1.874 1095 H HN 0.189 nan 8.280 nan 0.000 0.581 1096 F N -0.424 119.680 119.950 0.257 0.000 2.985 1096 F HA -0.228 4.299 4.527 0.000 0.000 0.303 1096 F C 1.584 177.402 175.800 0.030 0.000 0.976 1096 F CA 0.604 58.647 58.000 0.072 0.000 1.013 1096 F CB -1.388 37.588 39.000 -0.041 0.000 1.060 1096 F HN 0.487 nan 8.300 nan 0.000 0.780 1097 K N 1.412 121.804 120.400 -0.014 0.000 2.113 1097 K HA -0.116 4.204 4.320 0.000 0.000 0.208 1097 K C 2.208 178.813 176.600 0.007 0.000 1.047 1097 K CA 1.959 58.129 56.287 -0.194 0.000 0.928 1097 K CB -0.650 31.556 32.500 -0.489 0.000 0.716 1097 K HN 0.564 nan 8.250 nan 0.000 0.446 1098 G N 0.135 108.939 108.800 0.008 0.000 2.442 1098 G HA2 -0.213 3.747 3.960 0.000 0.000 0.219 1098 G HA3 -0.213 3.747 3.960 0.000 0.000 0.219 1098 G C 1.471 176.373 174.900 0.003 0.000 1.141 1098 G CA 1.027 46.135 45.100 0.013 0.000 0.763 1098 G HN 0.219 nan 8.290 nan 0.000 0.554 1099 V N -0.470 119.418 119.914 -0.044 0.000 2.270 1099 V HA -0.127 3.993 4.120 0.000 0.000 0.245 1099 V C 2.414 178.407 176.094 -0.170 0.000 1.043 1099 V CA 1.651 63.836 62.300 -0.191 0.000 1.014 1099 V CB -0.689 30.893 31.823 -0.402 0.000 0.645 1099 V HN 0.609 nan 8.190 nan 0.000 0.447 1100 W N 0.272 121.641 121.300 0.115 0.000 2.364 1100 W HA -0.171 4.489 4.660 0.000 0.000 0.281 1100 W C 2.347 178.935 176.519 0.115 0.000 1.219 1100 W CA 1.261 58.700 57.345 0.157 0.000 1.220 1100 W CB -0.434 29.169 29.460 0.237 0.000 1.127 1100 W HN 0.281 nan 8.180 nan 0.000 0.556 1101 N N 0.156 119.007 118.700 0.251 0.000 2.381 1101 N HA -0.113 4.628 4.740 0.000 0.000 0.182 1101 N C 1.470 177.047 175.510 0.111 0.000 1.025 1101 N CA 1.052 54.195 53.050 0.155 0.000 0.888 1101 N CB -0.126 38.413 38.487 0.086 0.000 0.965 1101 N HN 0.091 nan 8.380 nan 0.000 0.438 1102 I N -0.913 119.705 120.570 0.080 0.000 2.364 1102 I HA -0.147 4.023 4.170 0.000 0.000 0.241 1102 I C 1.847 177.998 176.117 0.057 0.000 1.082 1102 I CA 0.387 61.710 61.300 0.038 0.000 1.401 1102 I CB -0.156 37.835 38.000 -0.015 0.000 1.126 1102 I HN -0.053 nan 8.210 nan 0.000 0.429 1103 V N 1.005 120.967 119.914 0.080 0.000 2.282 1103 V HA -0.306 3.814 4.120 0.000 0.000 0.249 1103 V C 1.277 177.488 176.094 0.196 0.000 1.057 1103 V CA 1.720 64.096 62.300 0.126 0.000 1.032 1103 V CB -1.049 30.935 31.823 0.269 0.000 0.645 1103 V HN 0.454 nan 8.190 nan 0.000 0.447 1104 N N 0.375 119.236 118.700 0.269 0.000 2.738 1104 N HA 0.016 4.756 4.740 0.000 0.000 0.220 1104 N C 0.122 175.694 175.510 0.103 0.000 1.546 1104 N CA 0.272 53.438 53.050 0.193 0.000 0.924 1104 N CB -1.292 37.301 38.487 0.178 0.000 1.271 1104 N HN 0.518 nan 8.380 nan 0.000 0.504 1105 I N -0.431 120.152 120.570 0.023 0.000 4.803 1105 I HA -0.307 3.863 4.170 0.000 0.000 0.126 1105 I C -1.201 174.900 176.117 -0.027 0.000 1.178 1105 I CA -0.589 60.698 61.300 -0.021 0.000 2.663 1105 I CB -0.236 37.688 38.000 -0.127 0.000 1.913 1105 I HN 0.131 nan 8.210 nan 0.000 0.326 1106 P HA -0.293 nan 4.420 nan 0.000 0.222 1106 P C 1.452 178.821 177.300 0.114 0.000 1.159 1106 P CA 2.225 65.377 63.100 0.088 0.000 0.920 1106 P CB -0.036 31.732 31.700 0.112 0.000 0.793 1107 F N -1.213 118.785 119.950 0.081 0.000 2.259 1107 F HA -0.040 4.487 4.527 0.000 0.000 0.298 1107 F C 1.957 177.813 175.800 0.094 0.000 1.088 1107 F CA 1.059 59.106 58.000 0.079 0.000 1.358 1107 F CB -1.297 37.740 39.000 0.061 0.000 1.040 1107 F HN -0.181 nan 8.300 nan 0.000 0.505 1108 L N 0.320 120.963 121.223 -0.966 0.000 2.044 1108 L HA -0.079 4.261 4.340 0.000 0.000 0.205 1108 L C 2.925 179.714 176.870 -0.135 0.000 1.075 1108 L CA 1.264 55.652 54.840 -0.753 0.000 0.747 1108 L CB -0.490 41.194 42.059 -0.626 0.000 0.903 1108 L HN 0.165 nan 8.230 nan 0.000 0.435 1109 R N -0.770 119.743 120.500 0.022 0.000 2.152 1109 R HA -0.139 4.201 4.340 0.000 0.000 0.232 1109 R C 2.194 178.673 176.300 0.300 0.000 1.117 1109 R CA 1.581 57.853 56.100 0.287 0.000 0.981 1109 R CB 0.047 30.474 30.300 0.211 0.000 0.870 1109 R HN 0.261 nan 8.270 nan 0.000 0.451 1110 S N 0.972 116.779 115.700 0.177 0.000 2.371 1110 S HA -0.057 4.413 4.470 0.000 0.000 0.224 1110 S C 1.811 176.519 174.600 0.179 0.000 1.029 1110 S CA 0.622 58.928 58.200 0.178 0.000 0.978 1110 S CB -0.146 63.149 63.200 0.159 0.000 0.833 1110 S HN 0.310 nan 8.310 nan 0.000 0.466 1111 L N 1.597 122.917 121.223 0.163 0.000 2.081 1111 L HA -0.160 4.181 4.340 0.000 0.000 0.212 1111 L C 1.956 178.896 176.870 0.117 0.000 1.080 1111 L CA 1.158 56.087 54.840 0.149 0.000 0.754 1111 L CB -0.340 41.807 42.059 0.147 0.000 0.893 1111 L HN 0.319 nan 8.230 nan 0.000 0.433 1112 I N -1.207 119.404 120.570 0.069 0.000 2.133 1112 I HA -0.322 3.848 4.170 0.000 0.000 0.238 1112 I C 2.525 178.686 176.117 0.074 0.000 1.074 1112 I CA 1.381 62.633 61.300 -0.079 0.000 1.342 1112 I CB -0.884 36.737 38.000 -0.631 0.000 1.053 1112 I HN 0.364 nan 8.210 nan 0.000 0.404 1113 M N 1.328 121.092 119.600 0.273 0.000 2.144 1113 M HA -0.245 4.235 4.480 0.000 0.000 0.260 1113 M C 2.268 178.669 176.300 0.169 0.000 1.067 1113 M CA 1.855 57.356 55.300 0.334 0.000 1.095 1113 M CB -0.499 32.318 32.600 0.361 0.000 1.365 1113 M HN 0.087 nan 8.290 nan 0.000 0.406 1114 K N -1.320 119.168 120.400 0.145 0.000 2.057 1114 K HA -0.244 4.077 4.320 0.000 0.000 0.207 1114 K C 2.130 178.788 176.600 0.095 0.000 1.049 1114 K CA 1.806 58.148 56.287 0.092 0.000 0.931 1114 K CB -0.534 32.026 32.500 0.101 0.000 0.714 1114 K HN 0.553 nan 8.250 nan 0.000 0.440 1115 Y N 1.137 121.457 120.300 0.033 0.000 2.242 1115 Y HA -0.173 4.377 4.550 0.000 0.000 0.291 1115 Y C 1.851 177.775 175.900 0.039 0.000 1.137 1115 Y CA 1.351 59.468 58.100 0.029 0.000 1.181 1115 Y CB -0.369 38.093 38.460 0.004 0.000 0.989 1115 Y HN -0.027 nan 8.280 nan 0.000 0.527 1116 V N -0.220 119.569 119.914 -0.208 0.000 2.261 1116 V HA -0.225 3.895 4.120 0.000 0.000 0.246 1116 V C 2.100 178.084 176.094 -0.184 0.000 1.047 1116 V CA 1.999 64.131 62.300 -0.280 0.000 1.015 1116 V CB -1.080 30.767 31.823 0.040 0.000 0.642 1116 V HN 0.399 nan 8.190 nan 0.000 0.446 1117 L N 1.664 122.848 121.223 -0.065 0.000 2.129 1117 L HA -0.109 4.231 4.340 0.000 0.000 0.212 1117 L C 2.706 179.537 176.870 -0.064 0.000 1.087 1117 L CA 2.753 57.558 54.840 -0.059 0.000 0.757 1117 L CB -1.838 40.175 42.059 -0.076 0.000 0.896 1117 L HN 0.793 nan 8.230 nan 0.000 0.434 1118 T N -4.489 110.024 114.554 -0.068 0.000 3.004 1118 T HA -0.036 4.314 4.350 0.000 0.000 0.243 1118 T C 1.974 176.694 174.700 0.034 0.000 1.020 1118 T CA 0.758 62.864 62.100 0.011 0.000 1.145 1118 T CB -0.544 68.350 68.868 0.042 0.000 0.876 1118 T HN 0.333 nan 8.240 nan 0.000 0.449 1119 S N 1.981 117.617 115.700 -0.105 0.000 2.407 1119 S HA -0.206 4.264 4.470 0.000 0.000 0.235 1119 S C 2.118 176.777 174.600 0.100 0.000 1.036 1119 S CA 1.116 59.297 58.200 -0.032 0.000 1.013 1119 S CB -0.426 62.508 63.200 -0.443 0.000 0.820 1119 S HN 0.297 nan 8.310 nan 0.000 0.476 1120 R N 1.348 121.824 120.500 -0.040 0.000 2.060 1120 R HA 0.193 4.533 4.340 0.000 0.000 0.225 1120 R C 2.789 179.032 176.300 -0.095 0.000 1.155 1120 R CA 1.533 57.591 56.100 -0.070 0.000 0.930 1120 R CB -1.146 29.122 30.300 -0.054 0.000 0.829 1120 R HN 0.402 nan 8.270 nan 0.000 0.433 1121 S N 0.180 115.891 115.700 0.018 0.000 2.421 1121 S HA -0.266 4.204 4.470 0.000 0.000 0.239 1121 S C 1.647 176.255 174.600 0.012 0.000 1.054 1121 S CA 1.827 60.066 58.200 0.065 0.000 1.035 1121 S CB -0.603 62.753 63.200 0.261 0.000 0.840 1121 S HN 0.575 nan 8.310 nan 0.000 0.475 1122 Y N 0.309 120.615 120.300 0.009 0.000 2.569 1122 Y HA 0.093 4.643 4.550 0.000 0.000 0.293 1122 Y C 1.513 177.382 175.900 -0.052 0.000 1.144 1122 Y CA 0.447 58.538 58.100 -0.015 0.000 1.321 1122 Y CB -0.301 38.157 38.460 -0.004 0.000 0.982 1122 Y HN 0.131 nan 8.280 nan 0.000 0.558 1123 L N 0.741 121.547 121.223 -0.694 0.000 2.492 1123 L HA 0.115 4.455 4.340 0.000 0.000 0.223 1123 L C 0.287 176.934 176.870 -0.370 0.000 1.132 1123 L CA 0.304 54.754 54.840 -0.651 0.000 0.850 1123 L CB -0.636 41.061 42.059 -0.604 0.000 0.966 1123 L HN 0.242 nan 8.230 nan 0.000 0.454 1124 I N -0.114 120.331 120.570 -0.210 0.000 2.437 1124 I HA 0.211 4.381 4.170 0.000 0.000 0.298 1124 I C -0.103 175.970 176.117 -0.073 0.000 0.984 1124 I CA -0.925 60.312 61.300 -0.104 0.000 1.214 1124 I CB 1.260 39.232 38.000 -0.046 0.000 1.365 1124 I HN -0.109 nan 8.210 nan 0.000 0.469 1125 D N 3.592 123.968 120.400 -0.040 0.000 2.313 1125 D HA 0.352 4.992 4.640 0.000 0.000 0.239 1125 D C -0.304 175.961 176.300 -0.058 0.000 1.142 1125 D CA 0.265 54.236 54.000 -0.050 0.000 0.847 1125 D CB 1.180 41.951 40.800 -0.048 0.000 1.082 1125 D HN 0.325 nan 8.370 nan 0.000 0.480 1126 S N 2.238 117.890 115.700 -0.080 0.000 2.689 1126 S HA 0.428 4.898 4.470 0.000 0.000 0.274 1126 S C -2.630 171.914 174.600 -0.093 0.000 1.176 1126 S CA -1.222 56.921 58.200 -0.095 0.000 1.014 1126 S CB 0.849 63.961 63.200 -0.147 0.000 1.071 1126 S HN 0.078 nan 8.310 nan 0.000 0.478 1127 P HA 0.200 nan 4.420 nan 0.000 0.267 1127 P C -2.507 174.773 177.300 -0.033 0.000 1.201 1127 P CA -0.732 62.360 63.100 -0.013 0.000 0.775 1127 P CB -0.217 31.503 31.700 0.034 0.000 0.854 1128 P HA -0.016 nan 4.420 nan 0.000 0.270 1128 P C 0.149 177.373 177.300 -0.126 0.000 1.223 1128 P CA 0.120 63.172 63.100 -0.080 0.000 0.785 1128 P CB 0.537 32.165 31.700 -0.120 0.000 0.923 1129 T N -1.041 113.381 114.554 -0.220 0.000 3.422 1129 T HA 0.194 4.544 4.350 0.000 0.000 0.192 1129 T C 0.616 175.027 174.700 -0.480 0.000 0.857 1129 T CA 0.135 61.960 62.100 -0.458 0.000 1.400 1129 T CB -0.816 67.595 68.868 -0.762 0.000 1.864 1129 T HN 0.276 nan 8.240 nan 0.000 0.415 1130 Y N 3.303 123.554 120.300 -0.081 0.000 2.289 1130 Y HA 0.544 5.095 4.550 0.000 0.000 0.332 1130 Y C 1.119 176.935 175.900 -0.140 0.000 1.324 1130 Y CA -0.897 57.138 58.100 -0.107 0.000 1.478 1130 Y CB 0.376 38.789 38.460 -0.079 0.000 1.378 1130 Y HN 0.726 nan 8.280 nan 0.000 0.558 1131 N N -2.722 115.986 118.700 0.014 0.000 3.316 1131 N HA 0.246 4.986 4.740 0.000 0.000 0.300 1131 N C -0.338 175.101 175.510 -0.118 0.000 1.567 1131 N CA -0.720 52.248 53.050 -0.137 0.000 0.821 1131 N CB 1.690 39.906 38.487 -0.451 0.000 1.748 1131 N HN 0.435 nan 8.380 nan 0.000 0.603 1132 V N 0.235 120.049 119.914 -0.168 0.000 2.568 1132 V HA -0.209 3.912 4.120 0.000 0.000 0.253 1132 V C 1.335 177.414 176.094 -0.025 0.000 1.072 1132 V CA 1.820 64.060 62.300 -0.100 0.000 1.084 1132 V CB -1.164 30.575 31.823 -0.140 0.000 0.676 1132 V HN 0.642 nan 8.190 nan 0.000 0.469 1133 H N -3.118 115.866 119.070 -0.145 0.000 2.592 1133 H HA 0.208 4.764 4.556 0.000 0.000 0.265 1133 H C -0.439 174.524 175.328 -0.609 0.000 0.955 1133 H CA -0.071 55.809 56.048 -0.280 0.000 1.175 1133 H CB 0.465 30.096 29.762 -0.219 0.000 1.433 1133 H HN 0.451 nan 8.280 nan 0.000 0.537 1134 Y N -0.282 119.932 120.300 -0.142 0.000 2.326 1134 Y HA 0.315 4.865 4.550 0.000 0.000 0.329 1134 Y C 0.876 176.675 175.900 -0.169 0.000 0.973 1134 Y CA -0.778 57.132 58.100 -0.318 0.000 1.162 1134 Y CB 2.016 40.201 38.460 -0.458 0.000 1.147 1134 Y HN 0.045 nan 8.280 nan 0.000 0.456 1135 G N 2.317 111.078 108.800 -0.065 0.000 3.088 1135 G HA2 0.098 4.058 3.960 0.000 0.000 0.217 1135 G HA3 0.098 4.058 3.960 0.000 0.000 0.217 1135 G C -0.497 174.541 174.900 0.230 0.000 1.159 1135 G CA 0.172 45.262 45.100 -0.016 0.000 0.760 1135 G HN 0.566 nan 8.290 nan 0.000 0.550 1136 Y N -1.513 119.024 120.300 0.396 0.000 2.512 1136 Y HA 0.679 5.229 4.550 0.000 0.000 0.348 1136 Y C -0.174 175.882 175.900 0.260 0.000 0.990 1136 Y CA -2.300 56.016 58.100 0.360 0.000 1.033 1136 Y CB 1.037 39.622 38.460 0.210 0.000 1.259 1136 Y HN -0.250 nan 8.280 nan 0.000 0.461 1137 K N 2.602 123.140 120.400 0.230 0.000 2.451 1137 K HA 0.400 4.720 4.320 0.000 0.000 0.280 1137 K C -0.262 176.402 176.600 0.107 0.000 1.020 1137 K CA 0.303 56.582 56.287 -0.014 0.000 1.008 1137 K CB 0.488 32.943 32.500 -0.075 0.000 0.917 1137 K HN 0.934 nan 8.250 nan 0.000 0.478 1138 S N 1.401 117.054 115.700 -0.077 0.000 2.607 1138 S HA 0.210 4.680 4.470 0.000 0.000 0.273 1138 S C 0.166 174.724 174.600 -0.071 0.000 1.148 1138 S CA -1.117 57.061 58.200 -0.036 0.000 0.833 1138 S CB 0.802 63.863 63.200 -0.232 0.000 1.130 1138 S HN 0.887 nan 8.310 nan 0.000 0.470 1139 W N 1.161 122.415 121.300 -0.077 0.000 2.436 1139 W HA -0.053 4.607 4.660 0.000 0.000 0.284 1139 W C 1.630 178.127 176.519 -0.037 0.000 1.225 1139 W CA 2.134 59.486 57.345 0.011 0.000 1.271 1139 W CB -0.155 29.323 29.460 0.030 0.000 1.114 1139 W HN 1.045 nan 8.180 nan 0.000 0.559 1140 E N 1.075 121.224 120.200 -0.084 0.000 2.058 1140 E HA -0.186 4.165 4.350 0.000 0.000 0.194 1140 E C 2.182 178.570 176.600 -0.353 0.000 0.997 1140 E CA 2.513 58.812 56.400 -0.169 0.000 0.801 1140 E CB -0.758 28.792 29.700 -0.250 0.000 0.746 1140 E HN 0.091 nan 8.360 nan 0.000 0.450 1141 A N 0.221 122.673 122.820 -0.613 0.000 1.845 1141 A HA -0.153 4.167 4.320 0.000 0.000 0.215 1141 A C 2.304 179.631 177.584 -0.428 0.000 1.195 1141 A CA 1.684 53.396 52.037 -0.543 0.000 0.616 1141 A CB -1.263 17.423 19.000 -0.523 0.000 0.832 1141 A HN 0.515 nan 8.150 nan 0.000 0.443 1142 F N 1.992 121.622 119.950 -0.534 0.000 2.216 1142 F HA -0.178 4.349 4.527 0.000 0.000 0.300 1142 F C 2.423 177.854 175.800 -0.614 0.000 1.085 1142 F CA 2.080 59.729 58.000 -0.585 0.000 1.326 1142 F CB -0.142 38.416 39.000 -0.735 0.000 1.027 1142 F HN 0.291 nan 8.300 nan 0.000 0.497 1143 S N -1.036 114.053 115.700 -1.019 0.000 2.470 1143 S HA 0.034 4.504 4.470 0.000 0.000 0.222 1143 S C 0.895 175.244 174.600 -0.418 0.000 1.024 1143 S CA -0.132 57.565 58.200 -0.839 0.000 0.931 1143 S CB -0.688 62.256 63.200 -0.427 0.000 0.791 1143 S HN 0.336 nan 8.310 nan 0.000 0.513 1144 N N 2.168 120.729 118.700 -0.231 0.000 2.406 1144 N HA 0.190 4.930 4.740 0.000 0.000 0.265 1144 N C 0.480 175.969 175.510 -0.036 0.000 1.203 1144 N CA -0.031 53.014 53.050 -0.009 0.000 0.945 1144 N CB 0.448 39.102 38.487 0.277 0.000 1.165 1144 N HN 0.391 nan 8.380 nan 0.000 0.485 1145 L N 1.762 122.936 121.223 -0.081 0.000 2.552 1145 L HA 0.001 4.341 4.340 0.000 0.000 0.227 1145 L C 1.740 178.662 176.870 0.086 0.000 1.146 1145 L CA 0.256 55.052 54.840 -0.075 0.000 0.858 1145 L CB -0.050 41.958 42.059 -0.086 0.000 0.969 1145 L HN 0.427 nan 8.230 nan 0.000 0.451 1146 S N -1.329 114.393 115.700 0.037 0.000 2.489 1146 S HA 0.003 4.474 4.470 0.000 0.000 0.228 1146 S C 0.427 174.993 174.600 -0.058 0.000 0.995 1146 S CA 0.414 58.609 58.200 -0.008 0.000 0.934 1146 S CB -0.106 63.080 63.200 -0.024 0.000 0.771 1146 S HN 0.233 nan 8.310 nan 0.000 0.522 1147 Y N -0.167 120.083 120.300 -0.083 0.000 2.335 1147 Y HA 0.378 4.929 4.550 0.000 0.000 0.323 1147 Y C -0.107 175.693 175.900 -0.168 0.000 1.224 1147 Y CA -0.969 56.961 58.100 -0.283 0.000 1.241 1147 Y CB 0.485 38.776 38.460 -0.281 0.000 1.235 1147 Y HN 0.019 nan 8.280 nan 0.000 0.492 1148 Y N 0.775 121.098 120.300 0.038 0.000 2.304 1148 Y HA 0.165 4.715 4.550 0.000 0.000 0.328 1148 Y C 0.885 176.797 175.900 0.019 0.000 1.123 1148 Y CA -0.438 57.691 58.100 0.049 0.000 1.218 1148 Y CB 1.243 39.693 38.460 -0.018 0.000 1.207 1148 Y HN 0.576 nan 8.280 nan 0.000 0.495 1149 T N 3.400 118.064 114.554 0.185 0.000 2.729 1149 T HA 0.408 4.758 4.350 0.000 0.000 0.298 1149 T C -0.357 174.384 174.700 0.067 0.000 1.013 1149 T CA -0.527 61.608 62.100 0.058 0.000 0.957 1149 T CB 0.330 69.209 68.868 0.017 0.000 1.130 1149 T HN 0.481 nan 8.240 nan 0.000 0.526 1150 R N 0.605 121.151 120.500 0.078 0.000 2.538 1150 R HA 0.534 4.874 4.340 0.000 0.000 0.292 1150 R C 0.733 177.157 176.300 0.207 0.000 1.008 1150 R CA -0.351 55.813 56.100 0.106 0.000 0.896 1150 R CB 1.389 31.727 30.300 0.064 0.000 1.187 1150 R HN 0.730 nan 8.270 nan 0.000 0.440 1151 A N 3.545 126.537 122.820 0.286 0.000 1.972 1151 A HA 0.055 4.375 4.320 0.000 0.000 0.219 1151 A C 0.650 178.352 177.584 0.197 0.000 1.169 1151 A CA 1.133 53.389 52.037 0.365 0.000 0.635 1151 A CB 0.152 19.577 19.000 0.708 0.000 0.810 1151 A HN 0.483 nan 8.150 nan 0.000 0.446 1152 L N 0.237 121.530 121.223 0.117 0.000 2.436 1152 L HA 0.358 4.698 4.340 0.000 0.000 0.268 1152 L C -2.620 174.107 176.870 -0.238 0.000 0.974 1152 L CA -2.511 52.227 54.840 -0.170 0.000 0.826 1152 L CB 2.663 44.412 42.059 -0.516 0.000 1.291 1152 L HN -0.032 nan 8.230 nan 0.000 0.406 1153 P HA 0.072 nan 4.420 nan 0.000 0.266 1153 P C -2.608 174.521 177.300 -0.285 0.000 1.193 1153 P CA -0.876 61.887 63.100 -0.562 0.000 0.770 1153 P CB -0.362 30.777 31.700 -0.935 0.000 0.836 1154 P HA 0.015 nan 4.420 nan 0.000 0.272 1154 P C -0.247 177.006 177.300 -0.078 0.000 1.240 1154 P CA -0.035 63.015 63.100 -0.083 0.000 0.791 1154 P CB 0.384 32.072 31.700 -0.021 0.000 0.978 1155 V N 1.168 121.065 119.914 -0.028 0.000 2.572 1155 V HA 0.203 4.323 4.120 0.000 0.000 0.291 1155 V C 1.176 177.267 176.094 -0.005 0.000 1.039 1155 V CA -0.281 62.005 62.300 -0.023 0.000 1.055 1155 V CB 0.032 31.861 31.823 0.009 0.000 0.969 1155 V HN 0.755 nan 8.190 nan 0.000 0.482 1156 A N 3.570 126.384 122.820 -0.010 0.000 2.555 1156 A HA 0.036 4.356 4.320 0.000 0.000 0.233 1156 A C 1.126 178.723 177.584 0.021 0.000 1.060 1156 A CA -0.050 51.993 52.037 0.010 0.000 0.759 1156 A CB -0.101 18.907 19.000 0.015 0.000 0.995 1156 A HN 0.913 nan 8.150 nan 0.000 0.506 1157 D N 0.184 120.600 120.400 0.027 0.000 2.224 1157 D HA -0.097 4.543 4.640 0.000 0.000 0.205 1157 D C 1.093 177.412 176.300 0.031 0.000 0.965 1157 D CA 1.611 55.630 54.000 0.031 0.000 0.852 1157 D CB 0.060 40.877 40.800 0.027 0.000 0.947 1157 D HN 0.776 nan 8.370 nan 0.000 0.494 1158 D N -0.175 120.244 120.400 0.032 0.000 2.336 1158 D HA -0.039 4.601 4.640 0.000 0.000 0.228 1158 D C -0.037 176.281 176.300 0.030 0.000 1.120 1158 D CA -0.285 53.735 54.000 0.033 0.000 0.839 1158 D CB -0.610 40.215 40.800 0.041 0.000 0.932 1158 D HN -0.026 nan 8.370 nan 0.000 0.509 1159 c N 2.148 120.764 118.600 0.025 0.000 2.604 1159 c HA 0.187 4.757 4.570 0.000 0.000 0.396 1159 c C -0.223 173.881 174.090 0.023 0.000 1.282 1159 c CA -1.062 55.279 56.329 0.020 0.000 2.292 1159 c CB 1.470 43.988 42.510 0.013 0.000 2.633 1159 c HN 0.309 nan 8.230 nan 0.000 0.620 1160 P HA -0.025 nan 4.420 nan 0.000 0.219 1160 P C 0.377 177.693 177.300 0.027 0.000 1.150 1160 P CA 1.451 64.564 63.100 0.022 0.000 0.814 1160 P CB -0.064 31.648 31.700 0.020 0.000 0.787 1161 T N -5.906 108.666 114.554 0.029 0.000 2.916 1161 T HA 0.467 4.817 4.350 0.000 0.000 0.292 1161 T C -2.390 172.337 174.700 0.044 0.000 1.064 1161 T CA -2.136 59.987 62.100 0.038 0.000 1.011 1161 T CB 1.806 70.699 68.868 0.041 0.000 1.152 1161 T HN -0.320 nan 8.240 nan 0.000 0.510 1162 P HA 0.001 nan 4.420 nan 0.000 0.218 1162 P C 1.094 178.437 177.300 0.072 0.000 1.148 1162 P CA 1.202 64.343 63.100 0.069 0.000 0.822 1162 P CB 0.016 31.766 31.700 0.084 0.000 0.784 1163 M N -2.117 117.523 119.600 0.067 0.000 2.475 1163 M HA 0.350 4.830 4.480 0.000 0.000 0.261 1163 M C 1.115 177.428 176.300 0.023 0.000 1.177 1163 M CA 0.409 55.743 55.300 0.057 0.000 0.979 1163 M CB 0.119 32.759 32.600 0.068 0.000 1.482 1163 M HN 0.101 nan 8.290 nan 0.000 0.484 1164 G N 0.958 109.769 108.800 0.018 0.000 2.539 1164 G HA2 -0.243 3.717 3.960 0.000 0.000 0.230 1164 G HA3 -0.243 3.717 3.960 0.000 0.000 0.230 1164 G C 0.282 175.184 174.900 0.002 0.000 1.758 1164 G CA 0.269 45.367 45.100 -0.004 0.000 1.433 1164 G HN 0.343 nan 8.290 nan 0.000 0.494 1165 V N -1.755 118.159 119.914 0.000 0.000 3.480 1165 V HA 0.528 4.648 4.120 0.000 0.000 0.263 1165 V C 0.773 176.877 176.094 0.017 0.000 1.442 1165 V CA 1.143 63.447 62.300 0.006 0.000 1.053 1165 V CB 0.251 32.071 31.823 -0.004 0.000 0.846 1165 V HN 0.433 nan 8.190 nan 0.000 0.440 1166 K N 1.572 121.984 120.400 0.020 0.000 2.118 1166 K HA 0.610 4.931 4.320 0.000 0.000 0.264 1166 K C 0.676 177.308 176.600 0.053 0.000 1.000 1166 K CA 0.684 56.990 56.287 0.033 0.000 0.929 1166 K CB 1.066 33.584 32.500 0.029 0.000 1.021 1166 K HN 0.709 nan 8.250 nan 0.000 0.463 1167 G N 1.450 110.289 108.800 0.065 0.000 2.660 1167 G HA2 -0.220 3.740 3.960 0.000 0.000 0.215 1167 G HA3 -0.220 3.740 3.960 0.000 0.000 0.215 1167 G C -0.892 174.047 174.900 0.065 0.000 1.345 1167 G CA -0.835 44.315 45.100 0.083 0.000 0.877 1167 G HN 0.632 nan 8.290 nan 0.000 0.549 1168 N N 0.324 119.064 118.700 0.066 0.000 2.476 1168 N HA 0.340 5.080 4.740 0.000 0.000 0.276 1168 N C 1.335 176.872 175.510 0.045 0.000 1.204 1168 N CA -0.453 52.625 53.050 0.047 0.000 0.974 1168 N CB 0.923 39.433 38.487 0.037 0.000 1.204 1168 N HN 0.583 nan 8.380 nan 0.000 0.543 1169 K N 0.615 121.035 120.400 0.034 0.000 2.286 1169 K HA -0.108 4.212 4.320 0.000 0.000 0.203 1169 K C -0.188 176.433 176.600 0.036 0.000 1.045 1169 K CA 1.434 57.740 56.287 0.032 0.000 0.935 1169 K CB -0.023 32.492 32.500 0.024 0.000 0.737 1169 K HN 0.601 nan 8.250 nan 0.000 0.460 1170 E N 0.138 120.359 120.200 0.035 0.000 2.292 1170 E HA 0.242 4.593 4.350 0.000 0.000 0.272 1170 E C -1.139 175.485 176.600 0.040 0.000 0.881 1170 E CA -0.771 55.651 56.400 0.035 0.000 0.754 1170 E CB 1.708 31.419 29.700 0.020 0.000 1.201 1170 E HN -0.202 nan 8.360 nan 0.000 0.425 1171 L N 3.183 124.440 121.223 0.057 0.000 2.472 1171 L HA 0.277 4.617 4.340 0.000 0.000 0.260 1171 L C -1.894 174.964 176.870 -0.019 0.000 1.209 1171 L CA -1.680 53.204 54.840 0.073 0.000 0.817 1171 L CB -0.506 41.633 42.059 0.135 0.000 1.106 1171 L HN 0.465 nan 8.230 nan 0.000 0.479 1172 P HA -0.008 nan 4.420 nan 0.000 0.271 1172 P C -0.651 176.569 177.300 -0.133 0.000 1.218 1172 P CA -0.497 62.469 63.100 -0.223 0.000 0.780 1172 P CB 0.348 31.735 31.700 -0.523 0.000 0.901 1173 D N 1.302 121.642 120.400 -0.101 0.000 2.586 1173 D HA -0.079 4.561 4.640 0.000 0.000 0.234 1173 D C 1.324 177.594 176.300 -0.049 0.000 1.132 1173 D CA 0.535 54.501 54.000 -0.058 0.000 0.860 1173 D CB 0.729 41.498 40.800 -0.052 0.000 1.159 1173 D HN 0.321 nan 8.370 nan 0.000 0.490 1174 S N 4.049 119.740 115.700 -0.014 0.000 2.399 1174 S HA -0.205 4.265 4.470 0.000 0.000 0.231 1174 S C 1.748 176.353 174.600 0.009 0.000 1.022 1174 S CA 0.912 59.120 58.200 0.013 0.000 0.983 1174 S CB -0.043 63.171 63.200 0.025 0.000 0.803 1174 S HN 0.628 nan 8.310 nan 0.000 0.480 1175 K N 0.966 121.363 120.400 -0.004 0.000 2.097 1175 K HA -0.110 4.210 4.320 0.000 0.000 0.205 1175 K C 2.106 178.698 176.600 -0.013 0.000 1.050 1175 K CA 1.505 57.789 56.287 -0.005 0.000 0.938 1175 K CB -0.163 32.332 32.500 -0.010 0.000 0.718 1175 K HN 0.300 nan 8.250 nan 0.000 0.442 1176 E N 0.251 120.434 120.200 -0.029 0.000 2.072 1176 E HA -0.111 4.239 4.350 0.000 0.000 0.191 1176 E C 1.856 178.433 176.600 -0.038 0.000 0.985 1176 E CA 1.000 57.375 56.400 -0.042 0.000 0.801 1176 E CB -0.031 29.628 29.700 -0.069 0.000 0.750 1176 E HN 0.078 nan 8.360 nan 0.000 0.452 1177 V N 1.141 121.034 119.914 -0.035 0.000 2.295 1177 V HA -0.251 3.869 4.120 0.000 0.000 0.246 1177 V C 2.405 178.512 176.094 0.021 0.000 1.049 1177 V CA 1.655 63.955 62.300 -0.001 0.000 1.024 1177 V CB -0.563 31.287 31.823 0.045 0.000 0.648 1177 V HN 0.355 nan 8.190 nan 0.000 0.447 1178 L N -0.081 121.158 121.223 0.026 0.000 1.971 1178 L HA -0.270 4.070 4.340 0.000 0.000 0.215 1178 L C 2.640 179.518 176.870 0.014 0.000 1.072 1178 L CA 2.364 57.222 54.840 0.031 0.000 0.758 1178 L CB -0.372 41.705 42.059 0.030 0.000 0.889 1178 L HN 0.431 nan 8.230 nan 0.000 0.433 1179 E N -0.541 119.660 120.200 0.002 0.000 2.072 1179 E HA -0.205 4.145 4.350 0.000 0.000 0.190 1179 E C 2.175 178.769 176.600 -0.009 0.000 0.982 1179 E CA 1.060 57.457 56.400 -0.005 0.000 0.803 1179 E CB 0.104 29.798 29.700 -0.010 0.000 0.755 1179 E HN 0.481 nan 8.360 nan 0.000 0.453 1180 K N 0.227 120.619 120.400 -0.014 0.000 2.097 1180 K HA -0.081 4.239 4.320 0.000 0.000 0.205 1180 K C 1.900 178.492 176.600 -0.013 0.000 1.050 1180 K CA 1.598 57.873 56.287 -0.019 0.000 0.938 1180 K CB 0.345 32.826 32.500 -0.032 0.000 0.718 1180 K HN 0.163 nan 8.250 nan 0.000 0.442 1181 V N -3.312 116.599 119.914 -0.004 0.000 3.382 1181 V HA 0.169 4.289 4.120 0.000 0.000 0.296 1181 V C 1.230 177.320 176.094 -0.007 0.000 1.529 1181 V CA -0.138 62.160 62.300 -0.004 0.000 1.048 1181 V CB -0.139 31.689 31.823 0.008 0.000 0.878 1181 V HN 0.046 nan 8.190 nan 0.000 0.442 1182 L N -0.089 121.134 121.223 -0.000 0.000 2.433 1182 L HA 0.405 4.745 4.340 0.000 0.000 0.200 1182 L C 0.984 177.861 176.870 0.010 0.000 1.059 1182 L CA 0.205 55.046 54.840 0.002 0.000 0.835 1182 L CB 0.140 42.209 42.059 0.015 0.000 1.076 1182 L HN 0.175 nan 8.230 nan 0.000 0.481 1183 L N 2.087 123.316 121.223 0.010 0.000 2.525 1183 L HA 0.010 4.350 4.340 0.000 0.000 0.278 1183 L C 0.742 177.615 176.870 0.005 0.000 1.218 1183 L CA 0.251 55.096 54.840 0.008 0.000 0.878 1183 L CB 0.127 42.187 42.059 0.002 0.000 1.127 1183 L HN 0.293 nan 8.230 nan 0.000 0.492 1184 R N 4.130 124.637 120.500 0.011 0.000 2.265 1184 R HA 0.230 4.570 4.340 0.000 0.000 0.314 1184 R C 0.522 176.832 176.300 0.016 0.000 1.053 1184 R CA -0.621 55.487 56.100 0.013 0.000 0.931 1184 R CB 1.005 31.326 30.300 0.034 0.000 1.024 1184 R HN 0.654 nan 8.270 nan 0.000 0.457 1185 R N 2.898 123.404 120.500 0.010 0.000 2.062 1185 R HA 0.135 4.476 4.340 0.000 0.000 0.218 1185 R C 0.190 176.506 176.300 0.028 0.000 1.161 1185 R CA 0.705 56.812 56.100 0.012 0.000 0.994 1185 R CB -0.106 30.195 30.300 0.002 0.000 0.888 1185 R HN 0.632 nan 8.270 nan 0.000 0.442 1186 E N 0.558 120.775 120.200 0.028 0.000 2.212 1186 E HA 0.222 4.573 4.350 0.000 0.000 0.268 1186 E C -1.466 175.183 176.600 0.082 0.000 0.902 1186 E CA -0.885 55.549 56.400 0.056 0.000 0.779 1186 E CB 1.803 31.523 29.700 0.034 0.000 1.172 1186 E HN -0.058 nan 8.360 nan 0.000 0.409 1187 F N 4.227 124.163 119.950 -0.023 0.000 2.541 1187 F HA 0.184 4.711 4.527 0.000 0.000 0.378 1187 F C -0.463 175.318 175.800 -0.032 0.000 1.068 1187 F CA 0.110 58.094 58.000 -0.027 0.000 1.199 1187 F CB 0.225 39.206 39.000 -0.032 0.000 1.091 1187 F HN 0.321 nan 8.300 nan 0.000 0.555 1188 I N 9.507 129.670 120.570 -0.679 0.000 2.330 1188 I HA 0.261 4.431 4.170 0.000 0.000 0.286 1188 I C -1.997 173.580 176.117 -0.901 0.000 1.025 1188 I CA -2.176 58.784 61.300 -0.566 0.000 1.197 1188 I CB 0.893 38.699 38.000 -0.322 0.000 1.358 1188 I HN 0.459 nan 8.210 nan 0.000 0.467 1189 P HA 0.024 nan 4.420 nan 0.000 0.272 1189 P C -0.865 176.265 177.300 -0.284 0.000 1.230 1189 P CA -0.231 62.624 63.100 -0.409 0.000 0.788 1189 P CB 0.830 32.508 31.700 -0.037 0.000 0.949 1190 D N 2.092 122.367 120.400 -0.207 0.000 2.317 1190 D HA 0.106 4.746 4.640 0.000 0.000 0.252 1190 D C -1.257 174.936 176.300 -0.178 0.000 1.174 1190 D CA -2.130 51.737 54.000 -0.221 0.000 0.866 1190 D CB 0.444 41.099 40.800 -0.241 0.000 1.127 1190 D HN 0.129 nan 8.370 nan 0.000 0.467 1191 P HA -0.174 nan 4.420 nan 0.000 0.221 1191 P C 0.738 177.945 177.300 -0.155 0.000 1.145 1191 P CA 1.077 64.088 63.100 -0.149 0.000 0.795 1191 P CB 0.227 31.838 31.700 -0.147 0.000 0.775 1192 Q N -1.312 118.358 119.800 -0.217 0.000 2.435 1192 Q HA 0.121 4.461 4.340 0.000 0.000 0.207 1192 Q C 1.406 177.347 176.000 -0.097 0.000 0.956 1192 Q CA 0.854 56.518 55.803 -0.232 0.000 0.917 1192 Q CB -0.231 28.243 28.738 -0.440 0.000 0.997 1192 Q HN 0.316 nan 8.270 nan 0.000 0.497 1193 G N 0.949 109.700 108.800 -0.081 0.000 2.176 1193 G HA2 -0.253 3.708 3.960 0.000 0.000 0.253 1193 G HA3 -0.253 3.708 3.960 0.000 0.000 0.253 1193 G C 0.134 175.019 174.900 -0.026 0.000 0.979 1193 G CA 0.210 45.297 45.100 -0.021 0.000 0.641 1193 G HN 0.275 nan 8.290 nan 0.000 0.530 1194 S N 1.736 117.394 115.700 -0.071 0.000 2.626 1194 S HA 0.295 4.765 4.470 0.000 0.000 0.303 1194 S C 1.003 175.593 174.600 -0.017 0.000 1.256 1194 S CA 0.758 58.861 58.200 -0.160 0.000 1.069 1194 S CB 0.342 63.320 63.200 -0.370 0.000 0.807 1194 S HN 0.939 nan 8.310 nan 0.000 0.500 1195 N N 2.829 121.568 118.700 0.065 0.000 2.717 1195 N HA 0.359 5.099 4.740 0.000 0.000 0.314 1195 N C 0.607 176.246 175.510 0.214 0.000 1.324 1195 N CA -0.765 52.367 53.050 0.137 0.000 0.902 1195 N CB -0.120 38.451 38.487 0.140 0.000 1.126 1195 N HN 0.271 nan 8.380 nan 0.000 0.579 1196 M N -0.639 119.077 119.600 0.193 0.000 2.447 1196 M HA 0.203 4.683 4.480 0.000 0.000 0.264 1196 M C 1.380 177.881 176.300 0.335 0.000 1.095 1196 M CA 0.708 56.075 55.300 0.112 0.000 1.125 1196 M CB -0.994 31.544 32.600 -0.105 0.000 1.389 1196 M HN 0.447 nan 8.290 nan 0.000 0.459 1197 M N -1.101 118.765 119.600 0.445 0.000 2.229 1197 M HA -0.123 4.357 4.480 0.000 0.000 0.264 1197 M C 2.148 178.943 176.300 0.825 0.000 1.063 1197 M CA 1.284 56.944 55.300 0.600 0.000 1.114 1197 M CB -1.263 31.567 32.600 0.383 0.000 1.387 1197 M HN 0.237 nan 8.290 nan 0.000 0.420 1198 F N 0.802 121.075 119.950 0.538 0.000 2.149 1198 F HA 0.058 4.585 4.527 0.000 0.000 0.294 1198 F C 2.267 178.274 175.800 0.344 0.000 1.095 1198 F CA 1.387 59.633 58.000 0.408 0.000 1.276 1198 F CB -0.363 38.709 39.000 0.119 0.000 1.023 1198 F HN 0.078 nan 8.300 nan 0.000 0.480 1199 A N 0.365 123.362 122.820 0.294 0.000 1.883 1199 A HA -0.189 4.131 4.320 0.000 0.000 0.217 1199 A C 2.017 179.584 177.584 -0.029 0.000 1.186 1199 A CA 1.922 53.990 52.037 0.052 0.000 0.624 1199 A CB -1.564 17.394 19.000 -0.070 0.000 0.822 1199 A HN 0.453 nan 8.150 nan 0.000 0.444 1200 F N -1.769 118.303 119.950 0.203 0.000 2.325 1200 F HA 0.027 4.555 4.527 0.000 0.000 0.299 1200 F C 1.883 177.790 175.800 0.179 0.000 1.090 1200 F CA 0.542 58.664 58.000 0.203 0.000 1.392 1200 F CB -0.682 38.484 39.000 0.276 0.000 1.053 1200 F HN 0.344 nan 8.300 nan 0.000 0.521 1201 F N 0.740 120.824 119.950 0.222 0.000 2.084 1201 F HA -0.126 4.401 4.527 0.000 0.000 0.296 1201 F C 2.430 178.173 175.800 -0.095 0.000 1.111 1201 F CA 1.527 59.384 58.000 -0.237 0.000 1.224 1201 F CB -0.689 38.328 39.000 0.030 0.000 0.991 1201 F HN -0.094 nan 8.300 nan 0.000 0.471 1202 A N -0.136 122.831 122.820 0.245 0.000 1.917 1202 A HA -0.298 4.022 4.320 0.000 0.000 0.219 1202 A C 2.251 179.837 177.584 0.003 0.000 1.182 1202 A CA 2.035 54.233 52.037 0.268 0.000 0.633 1202 A CB -1.097 18.139 19.000 0.393 0.000 0.819 1202 A HN 0.638 nan 8.150 nan 0.000 0.448 1203 Q N -1.374 118.393 119.800 -0.054 0.000 2.016 1203 Q HA -0.236 4.104 4.340 0.000 0.000 0.200 1203 Q C 2.188 177.904 176.000 -0.474 0.000 0.978 1203 Q CA 1.616 57.255 55.803 -0.274 0.000 0.833 1203 Q CB -0.394 28.219 28.738 -0.209 0.000 0.895 1203 Q HN 0.894 nan 8.270 nan 0.000 0.427 1204 H N -0.368 118.434 119.070 -0.447 0.000 2.319 1204 H HA -0.182 4.374 4.556 0.000 0.000 0.299 1204 H C 1.982 177.068 175.328 -0.404 0.000 1.092 1204 H CA 1.879 57.615 56.048 -0.520 0.000 1.302 1204 H CB -0.304 29.220 29.762 -0.396 0.000 1.373 1204 H HN 0.326 nan 8.280 nan 0.000 0.497 1205 F N 2.016 121.603 119.950 -0.606 0.000 2.084 1205 F HA -0.166 4.361 4.527 0.000 0.000 0.296 1205 F C 2.838 178.055 175.800 -0.970 0.000 1.111 1205 F CA 2.430 59.968 58.000 -0.771 0.000 1.224 1205 F CB -1.065 37.453 39.000 -0.804 0.000 0.991 1205 F HN 0.197 nan 8.300 nan 0.000 0.471 1206 T N -2.519 111.318 114.554 -1.196 0.000 2.977 1206 T HA -0.217 4.134 4.350 0.000 0.000 0.271 1206 T C 1.302 175.101 174.700 -1.503 0.000 1.105 1206 T CA 1.667 62.661 62.100 -1.843 0.000 1.116 1206 T CB -0.979 67.170 68.868 -1.198 0.000 0.878 1206 T HN 0.428 nan 8.240 nan 0.000 0.509 1207 H N 1.299 119.774 119.070 -0.992 0.000 2.536 1207 H HA 0.211 4.767 4.556 0.000 0.000 0.276 1207 H C 2.253 177.228 175.328 -0.588 0.000 1.019 1207 H CA 0.570 56.284 56.048 -0.556 0.000 1.159 1207 H CB -0.078 29.628 29.762 -0.094 0.000 1.373 1207 H HN 0.785 nan 8.280 nan 0.000 0.584 1208 Q N -0.403 118.851 119.800 -0.910 0.000 2.373 1208 Q HA -0.013 4.327 4.340 0.000 0.000 0.210 1208 Q C 0.872 176.555 176.000 -0.529 0.000 0.913 1208 Q CA 0.655 56.034 55.803 -0.708 0.000 0.911 1208 Q CB -0.119 28.073 28.738 -0.909 0.000 1.040 1208 Q HN 0.533 nan 8.270 nan 0.000 0.521 1209 F N -2.514 117.058 119.950 -0.631 0.000 2.720 1209 F HA 0.483 5.011 4.527 0.000 0.000 0.301 1209 F C -0.088 175.471 175.800 -0.401 0.000 1.103 1209 F CA -1.015 56.653 58.000 -0.554 0.000 1.291 1209 F CB 0.485 39.112 39.000 -0.623 0.000 1.086 1209 F HN -0.220 nan 8.300 nan 0.000 0.592 1210 F N 3.717 123.444 119.950 -0.372 0.000 2.291 1210 F HA 0.464 4.991 4.527 0.000 0.000 0.368 1210 F C -0.205 175.397 175.800 -0.331 0.000 1.085 1210 F CA -1.704 56.123 58.000 -0.287 0.000 1.165 1210 F CB 0.679 39.345 39.000 -0.557 0.000 1.429 1210 F HN -0.017 nan 8.300 nan 0.000 0.503 1211 K N 1.660 122.064 120.400 0.007 0.000 2.920 1211 K HA 0.212 4.532 4.320 0.000 0.000 0.175 1211 K C -0.178 176.355 176.600 -0.111 0.000 1.099 1211 K CA -0.363 55.857 56.287 -0.113 0.000 0.939 1211 K CB 1.084 33.484 32.500 -0.168 0.000 1.148 1211 K HN 0.227 nan 8.250 nan 0.000 0.613 1212 T N 1.630 116.130 114.554 -0.090 0.000 2.934 1212 T HA -0.076 4.274 4.350 0.000 0.000 0.306 1212 T C 0.125 174.586 174.700 -0.398 0.000 1.042 1212 T CA 0.578 62.563 62.100 -0.192 0.000 1.145 1212 T CB 0.237 68.916 68.868 -0.316 0.000 0.982 1212 T HN 0.285 nan 8.240 nan 0.000 0.544 1213 D N 1.539 121.788 120.400 -0.251 0.000 2.500 1213 D HA 0.079 4.719 4.640 0.000 0.000 0.219 1213 D C 1.192 177.405 176.300 -0.146 0.000 1.137 1213 D CA -0.395 53.496 54.000 -0.182 0.000 0.946 1213 D CB 0.053 40.781 40.800 -0.120 0.000 1.022 1213 D HN 0.525 nan 8.370 nan 0.000 0.518 1214 H N 2.333 121.407 119.070 0.007 0.000 2.518 1214 H HA -0.077 4.479 4.556 0.000 0.000 0.292 1214 H C 1.391 176.706 175.328 -0.021 0.000 1.068 1214 H CA 0.851 56.905 56.048 0.010 0.000 1.275 1214 H CB 0.484 30.250 29.762 0.007 0.000 1.375 1214 H HN 0.483 nan 8.280 nan 0.000 0.563 1215 K N 0.708 121.128 120.400 0.034 0.000 2.148 1215 K HA -0.048 4.272 4.320 0.000 0.000 0.204 1215 K C 2.102 178.643 176.600 -0.099 0.000 1.050 1215 K CA 0.707 56.977 56.287 -0.027 0.000 0.942 1215 K CB 0.195 32.661 32.500 -0.057 0.000 0.724 1215 K HN 0.292 nan 8.250 nan 0.000 0.446 1216 R N 0.290 120.683 120.500 -0.179 0.000 2.087 1216 R HA 0.105 4.445 4.340 0.000 0.000 0.216 1216 R C 0.870 177.045 176.300 -0.208 0.000 1.114 1216 R CA 0.722 56.575 56.100 -0.412 0.000 1.002 1216 R CB 0.479 30.226 30.300 -0.923 0.000 0.903 1216 R HN 0.248 nan 8.270 nan 0.000 0.445 1217 G N -0.689 108.157 108.800 0.077 0.000 2.350 1217 G HA2 -0.015 3.945 3.960 0.000 0.000 0.304 1217 G HA3 -0.015 3.945 3.960 0.000 0.000 0.304 1217 G C -2.593 172.498 174.900 0.318 0.000 1.421 1217 G CA -0.935 44.328 45.100 0.271 0.000 0.934 1217 G HN -0.221 nan 8.290 nan 0.000 0.632 1218 P HA -0.005 nan 4.420 nan 0.000 0.218 1218 P C 1.682 179.095 177.300 0.188 0.000 1.149 1218 P CA 1.747 64.945 63.100 0.164 0.000 0.817 1218 P CB 0.035 31.790 31.700 0.092 0.000 0.785 1219 G N -1.758 107.122 108.800 0.133 0.000 3.026 1219 G HA2 0.080 4.040 3.960 0.000 0.000 0.208 1219 G HA3 0.080 4.040 3.960 0.000 0.000 0.208 1219 G C -0.027 174.741 174.900 -0.220 0.000 1.169 1219 G CA -0.135 44.970 45.100 0.008 0.000 0.788 1219 G HN 0.160 nan 8.290 nan 0.000 0.533 1220 F N -0.605 119.367 119.950 0.037 0.000 2.492 1220 F HA 0.615 5.142 4.527 0.000 0.000 0.327 1220 F C 0.453 175.998 175.800 -0.425 0.000 1.079 1220 F CA -0.766 57.103 58.000 -0.217 0.000 0.967 1220 F CB 2.451 41.306 39.000 -0.242 0.000 1.169 1220 F HN -0.160 nan 8.300 nan 0.000 0.472 1221 T N 0.896 115.163 114.554 -0.478 0.000 2.924 1221 T HA 0.481 4.831 4.350 0.000 0.000 0.291 1221 T C 0.529 175.034 174.700 -0.325 0.000 1.045 1221 T CA -0.558 61.164 62.100 -0.629 0.000 1.015 1221 T CB 1.351 69.535 68.868 -1.140 0.000 1.103 1221 T HN 0.732 nan 8.240 nan 0.000 0.496 1222 R N 1.125 121.463 120.500 -0.271 0.000 2.365 1222 R HA 0.276 4.616 4.340 0.000 0.000 0.223 1222 R C 1.259 177.444 176.300 -0.190 0.000 0.899 1222 R CA -0.075 55.911 56.100 -0.190 0.000 1.059 1222 R CB 0.587 30.793 30.300 -0.155 0.000 1.086 1222 R HN 0.600 nan 8.270 nan 0.000 0.522 1223 G N 1.357 110.007 108.800 -0.251 0.000 3.064 1223 G HA2 0.153 4.114 3.960 0.000 0.000 0.286 1223 G HA3 0.153 4.114 3.960 0.000 0.000 0.286 1223 G C 0.588 175.335 174.900 -0.256 0.000 0.834 1223 G CA -0.375 44.586 45.100 -0.230 0.000 1.856 1223 G HN 0.152 nan 8.290 nan 0.000 0.559 1224 L N 1.598 122.744 121.223 -0.128 0.000 2.633 1224 L HA 0.043 4.383 4.340 0.000 0.000 0.235 1224 L C 2.392 179.311 176.870 0.082 0.000 1.163 1224 L CA 0.589 55.429 54.840 0.000 0.000 0.859 1224 L CB 0.175 42.229 42.059 -0.009 0.000 0.973 1224 L HN 0.536 nan 8.230 nan 0.000 0.451 1225 G N -2.628 106.176 108.800 0.007 0.000 2.744 1225 G HA2 -0.080 3.880 3.960 0.000 0.000 0.211 1225 G HA3 -0.080 3.880 3.960 0.000 0.000 0.211 1225 G C 0.662 175.614 174.900 0.087 0.000 1.146 1225 G CA -0.243 44.879 45.100 0.035 0.000 0.787 1225 G HN 0.559 nan 8.290 nan 0.000 0.534 1226 H N -0.341 118.685 119.070 -0.073 0.000 2.690 1226 H HA -0.175 4.381 4.556 0.000 0.000 0.309 1226 H C 1.086 176.341 175.328 -0.121 0.000 1.138 1226 H CA 1.046 57.042 56.048 -0.085 0.000 1.142 1226 H CB -1.288 28.418 29.762 -0.093 0.000 1.410 1226 H HN 0.762 nan 8.280 nan 0.000 0.409 1227 G N -1.658 107.107 108.800 -0.060 0.000 2.325 1227 G HA2 0.234 4.194 3.960 0.000 0.000 0.295 1227 G HA3 0.234 4.194 3.960 0.000 0.000 0.295 1227 G C -0.611 174.286 174.900 -0.004 0.000 1.274 1227 G CA -0.314 44.716 45.100 -0.117 0.000 0.857 1227 G HN 0.136 nan 8.290 nan 0.000 0.499 1228 V N 2.214 122.137 119.914 0.016 0.000 2.070 1228 V HA 0.175 4.295 4.120 0.000 0.000 0.239 1228 V C 0.780 176.915 176.094 0.068 0.000 1.472 1228 V CA 1.183 63.528 62.300 0.076 0.000 1.453 1228 V CB -0.367 31.539 31.823 0.138 0.000 1.503 1228 V HN 0.741 nan 8.190 nan 0.000 0.501 1229 D N 2.089 122.520 120.400 0.052 0.000 2.369 1229 D HA 0.038 4.678 4.640 0.000 0.000 0.211 1229 D C 0.918 177.294 176.300 0.126 0.000 1.077 1229 D CA -0.360 53.684 54.000 0.073 0.000 0.842 1229 D CB 0.070 40.899 40.800 0.048 0.000 0.947 1229 D HN 0.306 nan 8.370 nan 0.000 0.509 1230 L N 0.838 122.140 121.223 0.131 0.000 3.717 1230 L HA -0.306 4.034 4.340 0.000 0.000 0.411 1230 L C 0.587 177.570 176.870 0.188 0.000 1.233 1230 L CA 0.765 55.723 54.840 0.196 0.000 0.917 1230 L CB -2.471 39.669 42.059 0.135 0.000 1.902 1230 L HN 0.357 nan 8.230 nan 0.000 0.894 1231 N N -0.489 118.299 118.700 0.147 0.000 2.459 1231 N HA -0.157 4.583 4.740 0.000 0.000 0.181 1231 N C 1.751 177.255 175.510 -0.009 0.000 1.046 1231 N CA 1.245 54.337 53.050 0.070 0.000 0.904 1231 N CB -0.163 38.324 38.487 -0.000 0.000 0.964 1231 N HN 0.698 nan 8.380 nan 0.000 0.444 1232 H N -0.693 118.225 119.070 -0.253 0.000 2.563 1232 H HA 0.152 4.708 4.556 0.000 0.000 0.272 1232 H C 1.203 176.354 175.328 -0.295 0.000 1.005 1232 H CA 0.456 56.276 56.048 -0.381 0.000 1.171 1232 H CB -0.142 29.373 29.762 -0.412 0.000 1.351 1232 H HN 0.411 nan 8.280 nan 0.000 0.602 1233 I N -0.995 119.257 120.570 -0.530 0.000 3.443 1233 I HA -0.047 4.123 4.170 0.000 0.000 0.277 1233 I C 1.250 177.080 176.117 -0.479 0.000 1.169 1233 I CA 0.048 60.976 61.300 -0.619 0.000 1.419 1233 I CB 0.136 37.526 38.000 -1.016 0.000 1.331 1233 I HN -0.036 nan 8.210 nan 0.000 0.458 1234 Y N 1.496 121.743 120.300 -0.088 0.000 2.510 1234 Y HA 0.442 4.992 4.550 0.001 0.000 0.273 1234 Y C 1.191 177.080 175.900 -0.017 0.000 1.119 1234 Y CA 0.170 58.265 58.100 -0.008 0.000 1.286 1234 Y CB -0.195 38.304 38.460 0.064 0.000 1.061 1234 Y HN 0.160 nan 8.280 nan 0.000 0.542 1235 G N 0.403 109.242 108.800 0.066 0.000 2.675 1235 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 1235 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 1235 G C 0.226 175.131 174.900 0.010 0.000 1.215 1235 G CA -0.399 44.704 45.100 0.005 0.000 0.777 1235 G HN 0.035 nan 8.290 nan 0.000 0.638 1236 E N -0.544 119.634 120.200 -0.036 0.000 2.112 1236 E HA 0.012 4.362 4.350 0.000 0.000 0.190 1236 E C 1.934 178.512 176.600 -0.036 0.000 0.979 1236 E CA 1.757 58.133 56.400 -0.039 0.000 0.814 1236 E CB -0.010 29.649 29.700 -0.068 0.000 0.762 1236 E HN 0.972 nan 8.360 nan 0.000 0.460 1237 T N -1.695 112.830 114.554 -0.047 0.000 2.902 1237 T HA 0.263 4.613 4.350 0.000 0.000 0.283 1237 T C 1.345 175.988 174.700 -0.095 0.000 1.009 1237 T CA -0.686 61.376 62.100 -0.063 0.000 1.051 1237 T CB 1.525 70.355 68.868 -0.064 0.000 0.999 1237 T HN -0.071 nan 8.240 nan 0.000 0.474 1238 L N 0.771 121.907 121.223 -0.145 0.000 2.079 1238 L HA -0.116 4.225 4.340 0.000 0.000 0.210 1238 L C 2.412 179.046 176.870 -0.393 0.000 1.081 1238 L CA 1.909 56.563 54.840 -0.310 0.000 0.752 1238 L CB -0.474 41.403 42.059 -0.302 0.000 0.896 1238 L HN 0.919 nan 8.230 nan 0.000 0.433 1239 D N -0.342 119.937 120.400 -0.200 0.000 2.117 1239 D HA -0.257 4.383 4.640 0.000 0.000 0.197 1239 D C 2.187 178.458 176.300 -0.049 0.000 0.987 1239 D CA 1.199 55.136 54.000 -0.106 0.000 0.829 1239 D CB 0.177 40.943 40.800 -0.057 0.000 0.961 1239 D HN 0.275 nan 8.370 nan 0.000 0.460 1240 R N 0.542 121.011 120.500 -0.052 0.000 2.075 1240 R HA -0.104 4.236 4.340 0.000 0.000 0.232 1240 R C 2.473 178.774 176.300 0.000 0.000 1.126 1240 R CA 1.112 57.201 56.100 -0.019 0.000 0.963 1240 R CB -0.152 30.130 30.300 -0.030 0.000 0.858 1240 R HN 0.176 nan 8.270 nan 0.000 0.435 1241 Q N -0.436 119.348 119.800 -0.026 0.000 2.096 1241 Q HA -0.220 4.120 4.340 0.000 0.000 0.204 1241 Q C 1.439 177.467 176.000 0.046 0.000 0.982 1241 Q CA 1.676 57.482 55.803 0.005 0.000 0.850 1241 Q CB -0.023 28.699 28.738 -0.027 0.000 0.901 1241 Q HN 0.519 nan 8.270 nan 0.000 0.422 1242 H N 0.099 119.154 119.070 -0.025 0.000 2.462 1242 H HA 0.024 4.581 4.556 0.000 0.000 0.292 1242 H C 1.664 177.064 175.328 0.119 0.000 1.049 1242 H CA 1.020 57.123 56.048 0.092 0.000 1.334 1242 H CB 0.172 30.068 29.762 0.224 0.000 1.404 1242 H HN 0.211 nan 8.280 nan 0.000 0.544 1243 K N -0.007 120.497 120.400 0.173 0.000 2.217 1243 K HA 0.048 4.368 4.320 0.000 0.000 0.202 1243 K C 1.748 178.386 176.600 0.063 0.000 1.051 1243 K CA 0.431 56.786 56.287 0.114 0.000 0.952 1243 K CB 0.226 32.767 32.500 0.070 0.000 0.736 1243 K HN 0.175 nan 8.250 nan 0.000 0.453 1244 L N 0.181 121.421 121.223 0.029 0.000 2.446 1244 L HA 0.059 4.399 4.340 0.000 0.000 0.219 1244 L C 0.552 177.396 176.870 -0.045 0.000 1.116 1244 L CA 0.127 54.973 54.840 0.009 0.000 0.844 1244 L CB 0.047 42.123 42.059 0.029 0.000 0.970 1244 L HN -0.012 nan 8.230 nan 0.000 0.457 1245 R N 0.194 120.582 120.500 -0.188 0.000 2.441 1245 R HA 0.103 4.443 4.340 0.000 0.000 0.284 1245 R C 0.835 176.910 176.300 -0.374 0.000 1.070 1245 R CA -0.437 55.393 56.100 -0.451 0.000 1.047 1245 R CB 1.291 30.918 30.300 -1.122 0.000 1.016 1245 R HN -0.070 nan 8.270 nan 0.000 0.477 1246 L N 3.002 124.094 121.223 -0.218 0.000 2.131 1246 L HA 0.098 4.438 4.340 0.000 0.000 0.206 1246 L C 0.205 177.115 176.870 0.067 0.000 1.087 1246 L CA 1.304 56.130 54.840 -0.023 0.000 0.767 1246 L CB -0.260 41.841 42.059 0.071 0.000 0.917 1246 L HN 0.824 nan 8.230 nan 0.000 0.441 1247 F N -0.058 119.894 119.950 0.004 0.000 3.023 1247 F HA -0.260 4.267 4.527 0.000 0.000 0.297 1247 F C -0.047 175.762 175.800 0.015 0.000 0.858 1247 F CA 0.675 58.657 58.000 -0.030 0.000 1.222 1247 F CB -1.583 37.370 39.000 -0.080 0.000 1.263 1247 F HN 0.206 nan 8.300 nan 0.000 0.565 1248 K N 0.073 120.571 120.400 0.163 0.000 2.656 1248 K HA 0.297 4.618 4.320 0.000 0.000 0.253 1248 K C -0.270 176.418 176.600 0.147 0.000 1.002 1248 K CA -0.700 55.674 56.287 0.145 0.000 0.880 1248 K CB 1.898 34.471 32.500 0.123 0.000 1.232 1248 K HN 0.073 nan 8.250 nan 0.000 0.456 1249 D N 1.324 121.815 120.400 0.152 0.000 3.090 1249 D HA -0.177 4.463 4.640 0.000 0.000 0.215 1249 D C 0.802 177.218 176.300 0.194 0.000 1.140 1249 D CA 1.755 55.851 54.000 0.161 0.000 0.937 1249 D CB -0.998 39.884 40.800 0.136 0.000 1.108 1249 D HN 1.134 nan 8.370 nan 0.000 0.420 1250 G N 0.295 109.227 108.800 0.221 0.000 2.155 1250 G HA2 -0.392 3.568 3.960 0.000 0.000 0.257 1250 G HA3 -0.392 3.568 3.960 0.000 0.000 0.257 1250 G C 0.364 175.547 174.900 0.472 0.000 0.983 1250 G CA 1.134 46.437 45.100 0.338 0.000 0.676 1250 G HN 0.475 nan 8.290 nan 0.000 0.528 1251 K N -0.801 119.792 120.400 0.322 0.000 2.138 1251 K HA 0.569 4.890 4.320 0.000 0.000 0.251 1251 K C 0.310 177.117 176.600 0.345 0.000 1.015 1251 K CA -0.771 55.742 56.287 0.378 0.000 0.917 1251 K CB 0.439 33.102 32.500 0.271 0.000 1.021 1251 K HN 0.024 nan 8.250 nan 0.000 0.485 1252 L N 2.451 123.909 121.223 0.391 0.000 2.307 1252 L HA 0.260 4.601 4.340 0.000 0.000 0.282 1252 L C -0.019 177.003 176.870 0.253 0.000 1.051 1252 L CA -0.089 54.893 54.840 0.236 0.000 0.804 1252 L CB 1.175 43.355 42.059 0.202 0.000 1.197 1252 L HN 0.481 nan 8.230 nan 0.000 0.431 1253 K N 3.149 123.629 120.400 0.134 0.000 2.469 1253 K HA 0.267 4.587 4.320 0.000 0.000 0.274 1253 K C -1.037 175.667 176.600 0.174 0.000 0.983 1253 K CA 0.587 56.927 56.287 0.090 0.000 0.974 1253 K CB 0.455 32.960 32.500 0.008 0.000 0.913 1253 K HN 0.565 nan 8.250 nan 0.000 0.493 1254 Y N -2.004 118.293 120.300 -0.004 0.000 2.764 1254 Y HA 0.302 4.852 4.550 0.000 0.000 0.331 1254 Y C -1.581 174.295 175.900 -0.040 0.000 1.280 1254 Y CA -1.373 56.710 58.100 -0.029 0.000 1.065 1254 Y CB 0.995 39.447 38.460 -0.014 0.000 1.319 1254 Y HN 0.593 nan 8.280 nan 0.000 0.453 1255 Q N 0.547 120.379 119.800 0.054 0.000 2.456 1255 Q HA 0.811 5.152 4.340 0.000 0.000 0.283 1255 Q C -2.153 173.940 176.000 0.155 0.000 1.084 1255 Q CA -1.330 54.456 55.803 -0.029 0.000 0.801 1255 Q CB 3.103 31.791 28.738 -0.084 0.000 1.434 1255 Q HN 0.608 nan 8.270 nan 0.000 0.419 1256 V N 2.689 122.667 119.914 0.108 0.000 2.357 1256 V HA 0.465 4.585 4.120 0.000 0.000 0.284 1256 V C -0.618 175.551 176.094 0.125 0.000 1.018 1256 V CA -0.467 61.923 62.300 0.151 0.000 0.841 1256 V CB 1.042 32.943 31.823 0.130 0.000 0.991 1256 V HN 0.658 nan 8.190 nan 0.000 0.437 1257 I N 3.733 124.425 120.570 0.203 0.000 2.382 1257 I HA 0.579 4.749 4.170 0.000 0.000 0.286 1257 I C 1.074 177.287 176.117 0.160 0.000 1.002 1257 I CA -0.505 60.885 61.300 0.150 0.000 1.135 1257 I CB 1.703 39.764 38.000 0.101 0.000 1.288 1257 I HN 0.801 nan 8.210 nan 0.000 0.448 1258 G N 4.389 113.243 108.800 0.089 0.000 2.366 1258 G HA2 -0.121 3.839 3.960 0.000 0.000 0.299 1258 G HA3 -0.121 3.839 3.960 0.000 0.000 0.299 1258 G C 0.995 175.943 174.900 0.079 0.000 1.020 1258 G CA 0.584 45.729 45.100 0.074 0.000 1.026 1258 G HN 1.541 nan 8.290 nan 0.000 0.512 1259 G N -1.700 107.142 108.800 0.070 0.000 2.166 1259 G HA2 -0.241 3.719 3.960 0.000 0.000 0.260 1259 G HA3 -0.241 3.719 3.960 0.000 0.000 0.260 1259 G C 0.107 175.030 174.900 0.038 0.000 0.986 1259 G CA 1.052 46.182 45.100 0.050 0.000 0.683 1259 G HN 0.958 nan 8.290 nan 0.000 0.527 1260 E N -0.672 119.571 120.200 0.072 0.000 2.227 1260 E HA 0.551 4.901 4.350 0.000 0.000 0.268 1260 E C -0.215 176.336 176.600 -0.081 0.000 0.907 1260 E CA -0.831 55.548 56.400 -0.034 0.000 0.786 1260 E CB 2.388 32.085 29.700 -0.005 0.000 1.191 1260 E HN 0.066 nan 8.360 nan 0.000 0.411 1261 V N 3.698 123.451 119.914 -0.268 0.000 2.406 1261 V HA 0.243 4.363 4.120 0.000 0.000 0.272 1261 V C -0.851 175.002 176.094 -0.400 0.000 1.043 1261 V CA -0.035 62.148 62.300 -0.195 0.000 0.915 1261 V CB -0.300 31.372 31.823 -0.252 0.000 0.988 1261 V HN 0.502 nan 8.190 nan 0.000 0.466 1262 Y N 5.041 125.331 120.300 -0.017 0.000 2.605 1262 Y HA 0.522 5.072 4.550 0.000 0.000 0.343 1262 Y C -2.247 173.540 175.900 -0.189 0.000 1.036 1262 Y CA -2.833 55.196 58.100 -0.119 0.000 1.065 1262 Y CB 1.898 40.235 38.460 -0.204 0.000 1.288 1262 Y HN 0.424 nan 8.280 nan 0.000 0.481 1263 P HA 0.018 nan 4.420 nan 0.000 0.269 1263 P C -2.505 174.620 177.300 -0.290 0.000 1.217 1263 P CA -0.739 62.296 63.100 -0.108 0.000 0.783 1263 P CB -0.075 31.623 31.700 -0.003 0.000 0.898 1264 P HA 0.062 nan 4.420 nan 0.000 0.277 1264 P C -0.328 176.900 177.300 -0.121 0.000 1.276 1264 P CA 0.057 63.080 63.100 -0.128 0.000 0.788 1264 P CB 0.040 31.709 31.700 -0.051 0.000 1.114 1265 T N -3.725 110.793 114.554 -0.060 0.000 2.927 1265 T HA 0.253 4.603 4.350 0.000 0.000 0.281 1265 T C 1.319 176.050 174.700 0.052 0.000 0.998 1265 T CA -0.714 61.401 62.100 0.024 0.000 1.019 1265 T CB 0.305 69.184 68.868 0.019 0.000 1.061 1265 T HN 0.047 nan 8.240 nan 0.000 0.518 1266 V N 1.358 121.326 119.914 0.090 0.000 2.626 1266 V HA -0.063 4.057 4.120 0.000 0.000 0.252 1266 V C 2.659 178.781 176.094 0.046 0.000 1.067 1266 V CA 2.075 64.426 62.300 0.084 0.000 1.081 1266 V CB -0.876 31.020 31.823 0.121 0.000 0.686 1266 V HN 1.040 nan 8.190 nan 0.000 0.468 1267 K N 0.694 121.112 120.400 0.030 0.000 2.217 1267 K HA -0.192 4.128 4.320 0.000 0.000 0.202 1267 K C 1.672 178.277 176.600 0.009 0.000 1.051 1267 K CA 1.982 58.278 56.287 0.015 0.000 0.952 1267 K CB -0.146 32.356 32.500 0.005 0.000 0.736 1267 K HN 0.499 nan 8.250 nan 0.000 0.453 1268 D N -0.842 119.562 120.400 0.007 0.000 2.338 1268 D HA -0.052 4.588 4.640 0.000 0.000 0.208 1268 D C 1.473 177.777 176.300 0.008 0.000 0.997 1268 D CA 1.248 55.247 54.000 -0.001 0.000 0.880 1268 D CB 0.398 41.187 40.800 -0.019 0.000 0.980 1268 D HN 0.367 nan 8.370 nan 0.000 0.509 1269 T N -4.121 110.444 114.554 0.018 0.000 3.000 1269 T HA 0.141 4.491 4.350 0.000 0.000 0.248 1269 T C 0.983 175.702 174.700 0.032 0.000 1.034 1269 T CA 0.229 62.345 62.100 0.028 0.000 1.060 1269 T CB 0.266 69.153 68.868 0.031 0.000 0.983 1269 T HN -0.008 nan 8.240 nan 0.000 0.482 1270 Q N 0.090 119.908 119.800 0.031 0.000 2.385 1270 Q HA -0.136 4.204 4.340 0.000 0.000 0.215 1270 Q C 0.118 176.135 176.000 0.028 0.000 0.671 1270 Q CA 0.820 56.640 55.803 0.028 0.000 1.335 1270 Q CB -2.511 26.241 28.738 0.023 0.000 1.425 1270 Q HN 0.894 nan 8.270 nan 0.000 0.781 1271 V N -0.221 119.713 119.914 0.033 0.000 2.583 1271 V HA 0.375 4.495 4.120 0.000 0.000 0.287 1271 V C 0.516 176.626 176.094 0.027 0.000 1.051 1271 V CA -0.486 61.829 62.300 0.024 0.000 1.010 1271 V CB 1.299 33.135 31.823 0.022 0.000 0.988 1271 V HN 0.206 nan 8.190 nan 0.000 0.478 1272 E N 6.657 126.862 120.200 0.008 0.000 2.344 1272 E HA 0.343 4.693 4.350 0.000 0.000 0.270 1272 E C -0.570 176.022 176.600 -0.014 0.000 1.021 1272 E CA -0.254 56.148 56.400 0.003 0.000 0.887 1272 E CB 0.979 30.671 29.700 -0.013 0.000 0.997 1272 E HN 0.625 nan 8.360 nan 0.000 0.429 1273 M N 2.141 121.739 119.600 -0.004 0.000 2.619 1273 M HA 0.447 4.927 4.480 0.000 0.000 0.297 1273 M C -0.405 175.807 176.300 -0.146 0.000 1.229 1273 M CA -0.938 54.310 55.300 -0.085 0.000 0.860 1273 M CB 1.753 34.339 32.600 -0.024 0.000 1.741 1273 M HN 0.432 nan 8.290 nan 0.000 0.462 1274 I N 1.737 122.132 120.570 -0.292 0.000 2.307 1274 I HA 0.334 4.504 4.170 0.000 0.000 0.289 1274 I C -1.407 174.454 176.117 -0.426 0.000 1.021 1274 I CA -0.185 60.973 61.300 -0.237 0.000 1.224 1274 I CB 0.480 38.393 38.000 -0.144 0.000 1.376 1274 I HN 0.491 nan 8.210 nan 0.000 0.470 1275 Y N 6.621 126.879 120.300 -0.070 0.000 2.492 1275 Y HA 0.427 4.977 4.550 0.000 0.000 0.346 1275 Y C -2.067 173.697 175.900 -0.228 0.000 0.997 1275 Y CA -2.151 55.866 58.100 -0.138 0.000 1.025 1275 Y CB 2.079 40.467 38.460 -0.119 0.000 1.263 1275 Y HN 0.408 nan 8.280 nan 0.000 0.454 1276 P HA 0.067 nan 4.420 nan 0.000 0.269 1276 P C -2.199 174.964 177.300 -0.229 0.000 1.215 1276 P CA -1.238 61.680 63.100 -0.303 0.000 0.780 1276 P CB 0.592 31.971 31.700 -0.534 0.000 0.898 1277 P HA -0.189 nan 4.420 nan 0.000 0.220 1277 P C 1.122 178.404 177.300 -0.031 0.000 1.144 1277 P CA 1.630 64.707 63.100 -0.039 0.000 0.800 1277 P CB -0.480 31.228 31.700 0.013 0.000 0.772 1278 H N -1.800 117.245 119.070 -0.041 0.000 2.539 1278 H HA 0.150 4.706 4.556 0.000 0.000 0.267 1278 H C 0.456 175.754 175.328 -0.049 0.000 0.982 1278 H CA -0.398 55.629 56.048 -0.035 0.000 1.146 1278 H CB -0.212 29.537 29.762 -0.023 0.000 1.382 1278 H HN 0.040 nan 8.280 nan 0.000 0.577 1279 I N 4.999 125.365 120.570 -0.339 0.000 2.396 1279 I HA 0.147 4.317 4.170 0.000 0.000 0.289 1279 I C -2.057 173.940 176.117 -0.200 0.000 1.056 1279 I CA -2.489 58.633 61.300 -0.296 0.000 1.365 1279 I CB 0.980 38.733 38.000 -0.410 0.000 1.407 1279 I HN 0.042 nan 8.210 nan 0.000 0.509 1280 P HA 0.104 nan 4.420 nan 0.000 0.267 1280 P C 0.543 177.762 177.300 -0.134 0.000 1.205 1280 P CA -0.077 62.958 63.100 -0.109 0.000 0.765 1280 P CB 0.837 32.489 31.700 -0.080 0.000 0.828 1281 E N 2.461 122.607 120.200 -0.090 0.000 2.169 1281 E HA -0.271 4.079 4.350 0.000 0.000 0.202 1281 E C 1.537 178.108 176.600 -0.049 0.000 1.016 1281 E CA 1.645 58.003 56.400 -0.070 0.000 0.817 1281 E CB -0.219 29.460 29.700 -0.035 0.000 0.736 1281 E HN 0.600 nan 8.360 nan 0.000 0.462 1282 N N 0.686 119.364 118.700 -0.037 0.000 2.571 1282 N HA -0.134 4.607 4.740 0.000 0.000 0.189 1282 N C 1.349 176.893 175.510 0.056 0.000 1.154 1282 N CA 0.731 53.786 53.050 0.008 0.000 0.907 1282 N CB 0.063 38.547 38.487 -0.005 0.000 0.977 1282 N HN 0.266 nan 8.380 nan 0.000 0.449 1283 L N -0.562 120.615 121.223 -0.076 0.000 2.701 1283 L HA 0.200 4.540 4.340 0.000 0.000 0.238 1283 L C 0.261 176.864 176.870 -0.446 0.000 1.106 1283 L CA -0.010 54.677 54.840 -0.254 0.000 0.898 1283 L CB 0.251 42.111 42.059 -0.333 0.000 1.188 1283 L HN 0.016 nan 8.230 nan 0.000 0.508 1284 Q N 1.277 120.866 119.800 -0.353 0.000 2.431 1284 Q HA 0.186 4.527 4.340 0.000 0.000 0.234 1284 Q C -0.714 175.387 176.000 0.168 0.000 1.203 1284 Q CA 0.056 55.516 55.803 -0.571 0.000 0.902 1284 Q CB 0.034 28.555 28.738 -0.361 0.000 1.455 1284 Q HN 0.230 nan 8.270 nan 0.000 0.515 1285 F N 0.806 120.766 119.950 0.017 0.000 2.429 1285 F HA 0.344 4.872 4.527 0.000 0.000 0.348 1285 F C 0.753 176.685 175.800 0.221 0.000 1.109 1285 F CA -1.149 56.930 58.000 0.133 0.000 1.232 1285 F CB 0.836 39.914 39.000 0.129 0.000 1.157 1285 F HN 0.391 nan 8.300 nan 0.000 0.564 1286 A N 3.994 126.980 122.820 0.277 0.000 2.256 1286 A HA 0.652 4.972 4.320 0.000 0.000 0.317 1286 A C -0.529 177.129 177.584 0.124 0.000 1.318 1286 A CA -0.489 51.652 52.037 0.174 0.000 0.894 1286 A CB 0.579 19.643 19.000 0.105 0.000 1.165 1286 A HN 0.622 nan 8.150 nan 0.000 0.525 1287 V N 0.307 120.281 119.914 0.100 0.000 3.145 1287 V HA 0.899 5.019 4.120 0.000 0.000 0.311 1287 V C 1.193 177.258 176.094 -0.050 0.000 1.238 1287 V CA 0.024 62.356 62.300 0.054 0.000 1.066 1287 V CB 0.952 32.858 31.823 0.138 0.000 1.144 1287 V HN 0.872 nan 8.190 nan 0.000 0.465 1288 G N -1.034 107.696 108.800 -0.117 0.000 2.421 1288 G HA2 -0.071 3.889 3.960 0.000 0.000 0.216 1288 G HA3 -0.071 3.889 3.960 0.000 0.000 0.216 1288 G C 0.751 175.491 174.900 -0.266 0.000 1.171 1288 G CA 0.527 45.524 45.100 -0.172 0.000 0.775 1288 G HN 0.661 nan 8.290 nan 0.000 0.543 1289 Q N 0.722 120.217 119.800 -0.509 0.000 2.294 1289 Q HA 0.142 4.482 4.340 0.000 0.000 0.257 1289 Q C 1.262 176.977 176.000 -0.475 0.000 0.955 1289 Q CA -0.073 55.292 55.803 -0.731 0.000 0.936 1289 Q CB 1.374 29.012 28.738 -1.833 0.000 1.188 1289 Q HN 0.748 nan 8.270 nan 0.000 0.420 1290 E N 1.708 121.736 120.200 -0.287 0.000 2.401 1290 E HA -0.127 4.223 4.350 0.000 0.000 0.199 1290 E C 1.108 177.608 176.600 -0.168 0.000 1.023 1290 E CA 0.594 56.885 56.400 -0.182 0.000 0.859 1290 E CB 0.100 29.721 29.700 -0.132 0.000 0.780 1290 E HN 0.258 nan 8.360 nan 0.000 0.523 1291 V N 0.085 119.917 119.914 -0.136 0.000 3.660 1291 V HA 0.027 4.147 4.120 0.000 0.000 0.276 1291 V C 0.406 176.634 176.094 0.223 0.000 1.317 1291 V CA 0.022 62.334 62.300 0.020 0.000 1.097 1291 V CB -0.317 31.567 31.823 0.103 0.000 0.863 1291 V HN 0.230 nan 8.190 nan 0.000 0.438 1292 F N 0.960 120.892 119.950 -0.030 0.000 2.771 1292 F HA 0.196 4.724 4.527 0.000 0.000 0.299 1292 F C 2.068 177.868 175.800 -0.001 0.000 1.177 1292 F CA 0.526 58.534 58.000 0.015 0.000 1.450 1292 F CB -1.218 37.825 39.000 0.072 0.000 1.114 1292 F HN 0.284 nan 8.300 nan 0.000 0.587 1293 G N -0.864 107.981 108.800 0.075 0.000 3.088 1293 G HA2 0.089 4.049 3.960 0.000 0.000 0.217 1293 G HA3 0.089 4.049 3.960 0.000 0.000 0.217 1293 G C 1.440 176.397 174.900 0.096 0.000 1.159 1293 G CA -0.069 45.060 45.100 0.049 0.000 0.760 1293 G HN 0.326 nan 8.290 nan 0.000 0.550 1294 L N 0.476 121.738 121.223 0.066 0.000 2.592 1294 L HA 0.261 4.601 4.340 0.000 0.000 0.227 1294 L C -0.283 176.549 176.870 -0.062 0.000 1.127 1294 L CA 0.148 55.076 54.840 0.146 0.000 0.884 1294 L CB 0.511 42.709 42.059 0.231 0.000 1.065 1294 L HN -0.075 nan 8.230 nan 0.000 0.457 1295 V N -0.836 119.019 119.914 -0.098 0.000 2.577 1295 V HA 0.199 4.319 4.120 0.000 0.000 0.294 1295 V C -1.873 174.034 176.094 -0.312 0.000 1.052 1295 V CA -0.831 61.330 62.300 -0.232 0.000 0.891 1295 V CB 2.046 33.828 31.823 -0.069 0.000 1.017 1295 V HN -0.159 nan 8.190 nan 0.000 0.436 1296 P HA -0.121 nan 4.420 nan 0.000 0.218 1296 P C 1.568 178.714 177.300 -0.256 0.000 1.146 1296 P CA 1.671 64.501 63.100 -0.450 0.000 0.813 1296 P CB 0.330 31.628 31.700 -0.671 0.000 0.778 1297 G N -0.820 107.735 108.800 -0.409 0.000 2.421 1297 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 1297 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 1297 G C 1.351 176.016 174.900 -0.391 0.000 1.143 1297 G CA 0.273 44.896 45.100 -0.794 0.000 0.784 1297 G HN 0.159 nan 8.290 nan 0.000 0.541 1298 L N -0.139 120.937 121.223 -0.246 0.000 2.072 1298 L HA 0.252 4.592 4.340 0.000 0.000 0.205 1298 L C 2.635 179.486 176.870 -0.032 0.000 1.079 1298 L CA 1.325 56.074 54.840 -0.151 0.000 0.752 1298 L CB -0.507 41.357 42.059 -0.324 0.000 0.906 1298 L HN 0.235 nan 8.230 nan 0.000 0.436 1299 M N -1.730 117.853 119.600 -0.029 0.000 2.476 1299 M HA -0.153 4.327 4.480 0.000 0.000 0.262 1299 M C 1.997 178.310 176.300 0.022 0.000 1.079 1299 M CA 1.284 56.626 55.300 0.069 0.000 1.104 1299 M CB -0.275 32.343 32.600 0.030 0.000 1.409 1299 M HN 0.270 nan 8.290 nan 0.000 0.467 1300 M N -1.499 118.046 119.600 -0.092 0.000 2.098 1300 M HA -0.199 4.282 4.480 0.000 0.000 0.262 1300 M C 1.505 177.707 176.300 -0.163 0.000 1.072 1300 M CA 1.809 57.007 55.300 -0.170 0.000 1.133 1300 M CB -0.274 32.219 32.600 -0.179 0.000 1.344 1300 M HN 0.250 nan 8.290 nan 0.000 0.414 1301 Y N 0.467 120.690 120.300 -0.129 0.000 2.242 1301 Y HA -0.074 4.476 4.550 0.000 0.000 0.291 1301 Y C 2.655 178.459 175.900 -0.161 0.000 1.137 1301 Y CA 1.508 59.454 58.100 -0.257 0.000 1.181 1301 Y CB -1.016 37.086 38.460 -0.596 0.000 0.989 1301 Y HN 0.388 nan 8.280 nan 0.000 0.527 1302 A N -0.547 122.351 122.820 0.130 0.000 1.917 1302 A HA -0.241 4.080 4.320 0.000 0.000 0.219 1302 A C 2.296 180.008 177.584 0.214 0.000 1.182 1302 A CA 2.530 54.767 52.037 0.334 0.000 0.633 1302 A CB -1.218 18.026 19.000 0.407 0.000 0.819 1302 A HN 0.427 nan 8.150 nan 0.000 0.448 1303 T N -0.043 114.587 114.554 0.127 0.000 2.812 1303 T HA -0.008 4.342 4.350 0.000 0.000 0.264 1303 T C 1.811 176.499 174.700 -0.020 0.000 1.042 1303 T CA 1.304 63.434 62.100 0.051 0.000 1.140 1303 T CB -0.343 68.535 68.868 0.016 0.000 0.870 1303 T HN 0.408 nan 8.240 nan 0.000 0.445 1304 I N -0.644 119.891 120.570 -0.059 0.000 2.226 1304 I HA -0.167 4.003 4.170 0.000 0.000 0.245 1304 I C 2.118 178.169 176.117 -0.109 0.000 1.100 1304 I CA 1.448 62.658 61.300 -0.150 0.000 1.374 1304 I CB -0.207 37.645 38.000 -0.247 0.000 1.057 1304 I HN 0.343 nan 8.210 nan 0.000 0.413 1305 W N 0.234 121.538 121.300 0.007 0.000 2.518 1305 W HA -0.059 4.601 4.660 0.000 0.000 0.273 1305 W C 2.393 178.914 176.519 0.002 0.000 1.247 1305 W CA 0.274 57.627 57.345 0.014 0.000 1.288 1305 W CB -0.004 29.457 29.460 0.003 0.000 1.107 1305 W HN 0.104 nan 8.180 nan 0.000 0.586 1306 L N 0.574 121.918 121.223 0.202 0.000 2.005 1306 L HA -0.173 4.167 4.340 0.000 0.000 0.207 1306 L C 2.530 179.463 176.870 0.104 0.000 1.072 1306 L CA 1.617 56.535 54.840 0.129 0.000 0.744 1306 L CB -0.373 41.734 42.059 0.081 0.000 0.895 1306 L HN -0.103 nan 8.230 nan 0.000 0.433 1307 R N -0.051 120.455 120.500 0.011 0.000 2.117 1307 R HA -0.261 4.079 4.340 0.000 0.000 0.243 1307 R C 2.152 178.442 176.300 -0.017 0.000 1.143 1307 R CA 1.895 57.954 56.100 -0.069 0.000 0.968 1307 R CB -0.178 30.044 30.300 -0.130 0.000 0.863 1307 R HN 0.406 nan 8.270 nan 0.000 0.444 1308 E N -0.863 119.363 120.200 0.042 0.000 2.072 1308 E HA -0.207 4.143 4.350 0.000 0.000 0.190 1308 E C 1.673 178.360 176.600 0.145 0.000 0.982 1308 E CA 1.694 58.138 56.400 0.073 0.000 0.803 1308 E CB -0.198 29.556 29.700 0.090 0.000 0.755 1308 E HN 0.489 nan 8.360 nan 0.000 0.453 1309 H N 0.224 119.386 119.070 0.154 0.000 2.290 1309 H HA -0.084 4.472 4.556 0.000 0.000 0.298 1309 H C 1.557 176.960 175.328 0.125 0.000 1.087 1309 H CA 2.475 58.628 56.048 0.175 0.000 1.291 1309 H CB -0.234 29.656 29.762 0.213 0.000 1.369 1309 H HN 0.150 nan 8.280 nan 0.000 0.492 1310 N N 0.330 119.064 118.700 0.057 0.000 2.309 1310 N HA -0.129 4.611 4.740 0.000 0.000 0.182 1310 N C 1.993 177.469 175.510 -0.057 0.000 1.018 1310 N CA 0.938 53.980 53.050 -0.014 0.000 0.876 1310 N CB -0.389 38.107 38.487 0.015 0.000 0.972 1310 N HN 0.423 nan 8.380 nan 0.000 0.434 1311 R N 0.854 121.326 120.500 -0.046 0.000 2.070 1311 R HA -0.051 4.289 4.340 0.000 0.000 0.233 1311 R C 1.610 177.892 176.300 -0.030 0.000 1.137 1311 R CA 1.208 57.283 56.100 -0.041 0.000 0.945 1311 R CB -0.299 29.979 30.300 -0.036 0.000 0.845 1311 R HN -0.000 nan 8.270 nan 0.000 0.430 1312 V N 0.237 120.134 119.914 -0.029 0.000 2.594 1312 V HA -0.278 3.842 4.120 0.000 0.000 0.253 1312 V C 2.459 178.539 176.094 -0.023 0.000 1.069 1312 V CA 1.429 63.723 62.300 -0.010 0.000 1.082 1312 V CB -0.446 31.388 31.823 0.018 0.000 0.680 1312 V HN 0.535 nan 8.190 nan 0.000 0.469 1313 C N 0.067 119.316 119.300 -0.084 0.000 2.422 1313 C HA -0.130 4.330 4.460 0.000 0.000 0.279 1313 C C 2.446 177.451 174.990 0.025 0.000 1.305 1313 C CA 0.936 59.932 59.018 -0.037 0.000 1.757 1313 C CB -0.947 26.756 27.740 -0.063 0.000 1.962 1313 C HN 0.610 nan 8.230 nan 0.000 0.499 1314 D N 0.604 121.008 120.400 0.006 0.000 2.162 1314 D HA -0.006 4.634 4.640 0.000 0.000 0.203 1314 D C 1.934 178.238 176.300 0.006 0.000 0.967 1314 D CA 0.956 54.963 54.000 0.012 0.000 0.840 1314 D CB -0.320 40.478 40.800 -0.002 0.000 0.972 1314 D HN 0.427 nan 8.370 nan 0.000 0.482 1315 I N 0.726 121.297 120.570 0.003 0.000 2.179 1315 I HA -0.234 3.936 4.170 0.000 0.000 0.242 1315 I C 2.448 178.561 176.117 -0.007 0.000 1.088 1315 I CA 0.750 62.048 61.300 -0.004 0.000 1.357 1315 I CB -0.096 37.908 38.000 0.008 0.000 1.051 1315 I HN -0.022 nan 8.210 nan 0.000 0.409 1316 L N 0.490 121.734 121.223 0.036 0.000 2.046 1316 L HA -0.239 4.102 4.340 0.000 0.000 0.208 1316 L C 2.617 179.495 176.870 0.014 0.000 1.077 1316 L CA 1.532 56.410 54.840 0.064 0.000 0.747 1316 L CB -0.559 41.618 42.059 0.198 0.000 0.896 1316 L HN 0.245 nan 8.230 nan 0.000 0.432 1317 K N 0.189 120.621 120.400 0.054 0.000 2.147 1317 K HA -0.274 4.046 4.320 0.000 0.000 0.205 1317 K C 2.130 178.712 176.600 -0.029 0.000 1.049 1317 K CA 1.498 57.815 56.287 0.050 0.000 0.936 1317 K CB 0.032 32.577 32.500 0.075 0.000 0.722 1317 K HN 0.143 nan 8.250 nan 0.000 0.446 1318 Q N 0.704 120.473 119.800 -0.050 0.000 2.050 1318 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 1318 Q C 1.551 177.457 176.000 -0.157 0.000 0.980 1318 Q CA 1.890 57.646 55.803 -0.078 0.000 0.840 1318 Q CB 0.108 28.808 28.738 -0.064 0.000 0.898 1318 Q HN 0.327 nan 8.270 nan 0.000 0.424 1319 E N -0.578 119.471 120.200 -0.251 0.000 2.216 1319 E HA -0.065 4.285 4.350 0.000 0.000 0.192 1319 E C 0.170 176.325 176.600 -0.740 0.000 0.988 1319 E CA 0.671 56.786 56.400 -0.475 0.000 0.834 1319 E CB 0.256 29.612 29.700 -0.573 0.000 0.772 1319 E HN 0.489 nan 8.360 nan 0.000 0.479 1320 H N 0.528 119.339 119.070 -0.432 0.000 2.336 1320 H HA 0.168 4.724 4.556 0.000 0.000 0.230 1320 H C -1.751 173.414 175.328 -0.273 0.000 1.426 1320 H CA -1.723 53.955 56.048 -0.618 0.000 1.359 1320 H CB 0.980 29.746 29.762 -1.660 0.000 1.555 1320 H HN 0.013 nan 8.280 nan 0.000 0.512 1321 P HA -0.144 nan 4.420 nan 0.000 0.223 1321 P C 0.631 177.987 177.300 0.093 0.000 1.144 1321 P CA 1.019 64.134 63.100 0.024 0.000 0.783 1321 P CB 0.392 32.091 31.700 -0.003 0.000 0.771 1322 E N -2.508 117.764 120.200 0.120 0.000 2.489 1322 E HA -0.021 4.330 4.350 0.000 0.000 0.193 1322 E C 0.276 177.095 176.600 0.365 0.000 1.057 1322 E CA 0.039 56.558 56.400 0.199 0.000 0.866 1322 E CB -0.601 29.213 29.700 0.190 0.000 0.916 1322 E HN 0.212 nan 8.360 nan 0.000 0.500 1323 W N 1.757 123.103 121.300 0.076 0.000 2.251 1323 W HA 0.597 5.256 4.660 -0.000 0.000 0.329 1323 W C 1.070 177.621 176.519 0.054 0.000 1.234 1323 W CA -1.119 56.255 57.345 0.048 0.000 1.228 1323 W CB 0.716 30.203 29.460 0.045 0.000 1.135 1323 W HN 0.014 nan 8.180 nan 0.000 0.576 1324 G N 0.840 109.754 108.800 0.190 0.000 2.535 1324 G HA2 0.107 4.067 3.960 0.000 0.000 0.303 1324 G HA3 0.107 4.067 3.960 0.000 0.000 0.303 1324 G C 0.346 175.330 174.900 0.139 0.000 1.237 1324 G CA -0.181 44.996 45.100 0.128 0.000 0.986 1324 G HN 0.489 nan 8.290 nan 0.000 0.494 1325 D N -1.106 119.374 120.400 0.132 0.000 2.104 1325 D HA -0.152 4.488 4.640 0.000 0.000 0.194 1325 D C 1.985 178.382 176.300 0.163 0.000 0.994 1325 D CA 1.495 55.590 54.000 0.159 0.000 0.830 1325 D CB 0.144 41.045 40.800 0.167 0.000 0.959 1325 D HN 0.364 nan 8.370 nan 0.000 0.452 1326 E N -0.075 120.194 120.200 0.115 0.000 2.077 1326 E HA -0.218 4.132 4.350 0.000 0.000 0.193 1326 E C 2.040 178.698 176.600 0.096 0.000 0.989 1326 E CA 0.825 57.293 56.400 0.114 0.000 0.800 1326 E CB -0.203 29.534 29.700 0.062 0.000 0.746 1326 E HN 0.526 nan 8.360 nan 0.000 0.452 1327 Q N 0.219 119.996 119.800 -0.039 0.000 2.224 1327 Q HA -0.081 4.259 4.340 0.000 0.000 0.203 1327 Q C 2.298 178.222 176.000 -0.127 0.000 0.970 1327 Q CA 0.574 56.237 55.803 -0.233 0.000 0.865 1327 Q CB 0.097 28.471 28.738 -0.605 0.000 0.922 1327 Q HN 0.224 nan 8.270 nan 0.000 0.445 1328 L N -0.423 120.869 121.223 0.114 0.000 2.044 1328 L HA -0.108 4.232 4.340 0.000 0.000 0.205 1328 L C 2.244 179.236 176.870 0.203 0.000 1.075 1328 L CA 1.078 56.078 54.840 0.266 0.000 0.747 1328 L CB -0.480 41.757 42.059 0.296 0.000 0.903 1328 L HN 0.319 nan 8.230 nan 0.000 0.435 1329 F N 0.546 120.561 119.950 0.108 0.000 2.095 1329 F HA -0.283 4.244 4.527 0.000 0.000 0.298 1329 F C 2.701 178.560 175.800 0.099 0.000 1.104 1329 F CA 1.603 59.695 58.000 0.153 0.000 1.232 1329 F CB -0.184 38.862 39.000 0.078 0.000 0.987 1329 F HN 0.055 nan 8.300 nan 0.000 0.475 1330 Q N 0.069 119.905 119.800 0.060 0.000 2.084 1330 Q HA -0.141 4.200 4.340 0.000 0.000 0.202 1330 Q C 2.242 178.176 176.000 -0.110 0.000 0.978 1330 Q CA 2.226 57.983 55.803 -0.077 0.000 0.844 1330 Q CB -1.054 27.716 28.738 0.053 0.000 0.898 1330 Q HN 0.452 nan 8.270 nan 0.000 0.426 1331 T N 0.625 115.161 114.554 -0.029 0.000 2.857 1331 T HA -0.048 4.302 4.350 0.000 0.000 0.266 1331 T C 2.175 176.946 174.700 0.118 0.000 1.048 1331 T CA 1.188 63.333 62.100 0.074 0.000 1.139 1331 T CB -0.085 68.887 68.868 0.175 0.000 0.874 1331 T HN 0.161 nan 8.240 nan 0.000 0.455 1332 S N 1.069 116.795 115.700 0.043 0.000 2.348 1332 S HA -0.115 4.355 4.470 0.000 0.000 0.221 1332 S C 2.119 176.776 174.600 0.094 0.000 1.033 1332 S CA 1.164 59.385 58.200 0.034 0.000 1.010 1332 S CB -0.282 62.800 63.200 -0.197 0.000 0.891 1332 S HN 0.465 nan 8.310 nan 0.000 0.442 1333 R N 0.885 121.325 120.500 -0.099 0.000 2.139 1333 R HA -0.062 4.278 4.340 0.000 0.000 0.243 1333 R C 2.098 178.449 176.300 0.084 0.000 1.145 1333 R CA 1.165 57.191 56.100 -0.123 0.000 0.976 1333 R CB -0.356 29.488 30.300 -0.761 0.000 0.866 1333 R HN 0.366 nan 8.270 nan 0.000 0.449 1334 L N 0.223 121.520 121.223 0.122 0.000 2.093 1334 L HA -0.140 4.200 4.340 0.000 0.000 0.208 1334 L C 2.380 179.499 176.870 0.415 0.000 1.085 1334 L CA 1.113 56.126 54.840 0.288 0.000 0.755 1334 L CB -0.244 42.004 42.059 0.315 0.000 0.904 1334 L HN 0.301 nan 8.230 nan 0.000 0.435 1335 I N -0.662 120.126 120.570 0.362 0.000 2.202 1335 I HA -0.301 3.869 4.170 0.000 0.000 0.242 1335 I C 2.327 178.592 176.117 0.248 0.000 1.091 1335 I CA 1.002 62.475 61.300 0.287 0.000 1.368 1335 I CB -0.090 38.059 38.000 0.247 0.000 1.058 1335 I HN 0.177 nan 8.210 nan 0.000 0.410 1336 L N 0.350 121.734 121.223 0.269 0.000 2.131 1336 L HA -0.172 4.168 4.340 0.000 0.000 0.210 1336 L C 2.273 179.249 176.870 0.177 0.000 1.092 1336 L CA 1.695 56.704 54.840 0.281 0.000 0.759 1336 L CB -0.449 41.798 42.059 0.314 0.000 0.903 1336 L HN 0.177 nan 8.230 nan 0.000 0.435 1337 I N -1.287 119.399 120.570 0.193 0.000 2.252 1337 I HA -0.203 3.967 4.170 0.000 0.000 0.245 1337 I C 2.422 178.649 176.117 0.183 0.000 1.102 1337 I CA 1.322 62.719 61.300 0.162 0.000 1.385 1337 I CB -0.847 37.272 38.000 0.197 0.000 1.064 1337 I HN 0.341 nan 8.210 nan 0.000 0.414 1338 G N 0.178 109.131 108.800 0.255 0.000 2.408 1338 G HA2 -0.188 3.772 3.960 0.000 0.000 0.217 1338 G HA3 -0.188 3.772 3.960 0.000 0.000 0.217 1338 G C 1.525 176.568 174.900 0.238 0.000 1.150 1338 G CA 0.339 45.620 45.100 0.303 0.000 0.776 1338 G HN 0.375 nan 8.290 nan 0.000 0.542 1339 E N -0.005 120.329 120.200 0.223 0.000 2.051 1339 E HA -0.103 4.247 4.350 0.000 0.000 0.192 1339 E C 2.781 179.529 176.600 0.247 0.000 0.991 1339 E CA 1.432 57.985 56.400 0.254 0.000 0.799 1339 E CB -0.215 29.698 29.700 0.355 0.000 0.748 1339 E HN 0.321 nan 8.360 nan 0.000 0.449 1340 T N 1.825 116.504 114.554 0.208 0.000 2.720 1340 T HA -0.127 4.223 4.350 0.000 0.000 0.268 1340 T C 1.947 176.615 174.700 -0.054 0.000 1.037 1340 T CA 0.882 63.049 62.100 0.111 0.000 1.144 1340 T CB -0.114 68.707 68.868 -0.078 0.000 0.864 1340 T HN 0.135 nan 8.240 nan 0.000 0.444 1341 I N 1.053 121.525 120.570 -0.163 0.000 2.394 1341 I HA -0.127 4.043 4.170 0.000 0.000 0.251 1341 I C 2.506 178.169 176.117 -0.758 0.000 1.136 1341 I CA 1.199 62.217 61.300 -0.470 0.000 1.425 1341 I CB -0.570 37.046 38.000 -0.641 0.000 1.079 1341 I HN 0.221 nan 8.210 nan 0.000 0.425 1342 K N 2.183 122.262 120.400 -0.535 0.000 2.001 1342 K HA -0.103 4.217 4.320 0.000 0.000 0.208 1342 K C 1.929 178.513 176.600 -0.026 0.000 1.048 1342 K CA 1.613 57.799 56.287 -0.168 0.000 0.932 1342 K CB -0.408 32.210 32.500 0.197 0.000 0.715 1342 K HN 0.190 nan 8.250 nan 0.000 0.437 1343 I N 0.337 120.927 120.570 0.034 0.000 2.226 1343 I HA -0.233 3.937 4.170 0.000 0.000 0.245 1343 I C 2.046 178.188 176.117 0.040 0.000 1.100 1343 I CA 0.904 62.255 61.300 0.085 0.000 1.374 1343 I CB -0.159 37.956 38.000 0.192 0.000 1.057 1343 I HN -0.026 nan 8.210 nan 0.000 0.413 1344 V N 0.948 120.818 119.914 -0.073 0.000 2.490 1344 V HA -0.259 3.861 4.120 0.000 0.000 0.250 1344 V C 2.126 178.232 176.094 0.020 0.000 1.061 1344 V CA 1.789 63.988 62.300 -0.168 0.000 1.064 1344 V CB -0.361 31.184 31.823 -0.463 0.000 0.670 1344 V HN 0.375 nan 8.190 nan 0.000 0.461 1345 I N -0.900 119.662 120.570 -0.014 0.000 3.035 1345 I HA -0.016 4.154 4.170 0.000 0.000 0.271 1345 I C 2.110 178.281 176.117 0.090 0.000 1.190 1345 I CA 0.833 62.167 61.300 0.056 0.000 1.472 1345 I CB 0.004 38.019 38.000 0.026 0.000 1.116 1345 I HN 0.320 nan 8.210 nan 0.000 0.443 1346 E N 0.104 120.357 120.200 0.088 0.000 2.473 1346 E HA -0.004 4.346 4.350 0.000 0.000 0.204 1346 E C 0.592 177.256 176.600 0.107 0.000 0.994 1346 E CA 0.214 56.665 56.400 0.085 0.000 0.945 1346 E CB 0.599 30.349 29.700 0.084 0.000 0.990 1346 E HN 0.398 nan 8.360 nan 0.000 0.493 1347 D N -0.234 120.266 120.400 0.165 0.000 3.206 1347 D HA -0.036 4.604 4.640 0.000 0.000 0.267 1347 D C 1.542 178.067 176.300 0.375 0.000 1.506 1347 D CA 0.097 54.260 54.000 0.272 0.000 1.173 1347 D CB -0.584 40.400 40.800 0.306 0.000 1.141 1347 D HN -0.022 nan 8.370 nan 0.000 0.350 1348 Y N 2.518 122.877 120.300 0.098 0.000 2.014 1348 Y HA -0.289 4.261 4.550 0.000 0.000 0.272 1348 Y C 2.257 178.185 175.900 0.047 0.000 1.164 1348 Y CA 1.907 59.861 58.100 -0.243 0.000 1.114 1348 Y CB -0.450 37.785 38.460 -0.376 0.000 0.961 1348 Y HN -0.209 nan 8.280 nan 0.000 0.489 1349 V N 0.323 120.419 119.914 0.302 0.000 2.427 1349 V HA -0.294 3.826 4.120 0.000 0.000 0.248 1349 V C 2.269 178.373 176.094 0.017 0.000 1.051 1349 V CA 1.955 64.355 62.300 0.168 0.000 1.048 1349 V CB -0.887 31.058 31.823 0.203 0.000 0.666 1349 V HN 0.419 nan 8.190 nan 0.000 0.456 1350 Q N 0.614 120.452 119.800 0.062 0.000 2.077 1350 Q HA -0.290 4.050 4.340 0.000 0.000 0.206 1350 Q C 2.144 178.125 176.000 -0.033 0.000 0.989 1350 Q CA 2.703 58.515 55.803 0.015 0.000 0.853 1350 Q CB -0.548 28.229 28.738 0.065 0.000 0.907 1350 Q HN 0.870 nan 8.270 nan 0.000 0.418 1351 H N -1.042 117.984 119.070 -0.075 0.000 2.363 1351 H HA -0.062 4.495 4.556 0.000 0.000 0.301 1351 H C 1.628 176.781 175.328 -0.292 0.000 1.074 1351 H CA 1.553 57.511 56.048 -0.149 0.000 1.354 1351 H CB -0.420 29.285 29.762 -0.094 0.000 1.397 1351 H HN 0.315 nan 8.280 nan 0.000 0.516 1352 L N 0.764 121.701 121.223 -0.477 0.000 2.012 1352 L HA -0.190 4.150 4.340 0.000 0.000 0.210 1352 L C 2.756 179.324 176.870 -0.504 0.000 1.073 1352 L CA 2.215 56.724 54.840 -0.553 0.000 0.748 1352 L CB -1.185 40.762 42.059 -0.186 0.000 0.891 1352 L HN 0.610 nan 8.230 nan 0.000 0.431 1353 S N -1.111 114.309 115.700 -0.467 0.000 2.383 1353 S HA 0.005 4.475 4.470 0.000 0.000 0.227 1353 S C 1.768 175.996 174.600 -0.620 0.000 1.026 1353 S CA 0.873 58.630 58.200 -0.739 0.000 0.981 1353 S CB -0.807 61.638 63.200 -1.258 0.000 0.818 1353 S HN 0.747 nan 8.310 nan 0.000 0.472 1354 G N -0.210 108.321 108.800 -0.447 0.000 2.162 1354 G HA2 -0.255 3.705 3.960 0.000 0.000 0.260 1354 G HA3 -0.255 3.705 3.960 0.000 0.000 0.260 1354 G C -0.086 174.689 174.900 -0.209 0.000 0.976 1354 G CA 0.349 45.267 45.100 -0.304 0.000 0.655 1354 G HN 0.508 nan 8.290 nan 0.000 0.533 1355 Y N -0.159 120.012 120.300 -0.215 0.000 2.457 1355 Y HA 0.382 4.932 4.550 0.000 0.000 0.341 1355 Y C 1.712 177.428 175.900 -0.308 0.000 1.240 1355 Y CA 0.047 57.996 58.100 -0.252 0.000 1.437 1355 Y CB 0.317 38.696 38.460 -0.136 0.000 1.328 1355 Y HN 0.312 nan 8.280 nan 0.000 0.588 1356 H N 0.587 119.610 119.070 -0.078 0.000 2.563 1356 H HA 0.052 4.608 4.556 0.000 0.000 0.264 1356 H C -0.159 175.102 175.328 -0.112 0.000 0.957 1356 H CA -0.282 55.730 56.048 -0.059 0.000 1.173 1356 H CB 0.292 30.113 29.762 0.099 0.000 1.420 1356 H HN 0.386 nan 8.280 nan 0.000 0.551 1357 F N 2.530 122.193 119.950 -0.480 0.000 2.456 1357 F HA 0.174 4.701 4.527 0.000 0.000 0.358 1357 F C 0.219 175.967 175.800 -0.086 0.000 1.095 1357 F CA -0.826 56.921 58.000 -0.422 0.000 1.216 1357 F CB 0.519 39.014 39.000 -0.842 0.000 1.125 1357 F HN -0.255 nan 8.300 nan 0.000 0.549 1358 K N 7.870 127.824 120.400 -0.744 0.000 2.292 1358 K HA 0.271 4.591 4.320 0.000 0.000 0.290 1358 K C -0.424 175.646 176.600 -0.882 0.000 1.083 1358 K CA -0.387 55.553 56.287 -0.579 0.000 0.918 1358 K CB 0.193 32.519 32.500 -0.290 0.000 1.089 1358 K HN 0.724 nan 8.250 nan 0.000 0.473 1359 L N 3.429 124.365 121.223 -0.478 0.000 2.483 1359 L HA 0.086 4.426 4.340 0.000 0.000 0.275 1359 L C 0.409 177.203 176.870 -0.126 0.000 1.220 1359 L CA 0.554 55.252 54.840 -0.236 0.000 0.833 1359 L CB 0.273 42.331 42.059 -0.002 0.000 1.102 1359 L HN 0.527 nan 8.230 nan 0.000 0.490 1360 K N 2.083 122.479 120.400 -0.007 0.000 2.471 1360 K HA 0.322 4.643 4.320 0.000 0.000 0.252 1360 K C -1.372 175.310 176.600 0.138 0.000 0.938 1360 K CA -0.696 55.621 56.287 0.050 0.000 0.796 1360 K CB 1.657 34.174 32.500 0.029 0.000 1.161 1360 K HN 0.279 nan 8.250 nan 0.000 0.425 1361 F N 4.692 124.632 119.950 -0.017 0.000 2.335 1361 F HA 0.325 4.852 4.527 0.000 0.000 0.365 1361 F C -0.895 174.865 175.800 -0.068 0.000 1.122 1361 F CA -0.920 57.055 58.000 -0.042 0.000 1.151 1361 F CB 0.473 39.464 39.000 -0.015 0.000 1.282 1361 F HN 0.424 nan 8.300 nan 0.000 0.513 1362 D N 8.351 128.510 120.400 -0.401 0.000 2.328 1362 D HA 0.334 4.974 4.640 0.000 0.000 0.243 1362 D C -2.316 173.615 176.300 -0.615 0.000 1.324 1362 D CA -2.014 51.684 54.000 -0.503 0.000 0.966 1362 D CB 1.799 42.477 40.800 -0.205 0.000 1.324 1362 D HN 0.171 nan 8.370 nan 0.000 0.549 1363 P HA -0.123 nan 4.420 nan 0.000 0.220 1363 P C 0.807 177.497 177.300 -1.018 0.000 1.144 1363 P CA 0.958 63.535 63.100 -0.871 0.000 0.800 1363 P CB 0.325 31.329 31.700 -1.160 0.000 0.772 1364 E N -0.408 119.133 120.200 -1.097 0.000 2.268 1364 E HA -0.097 4.253 4.350 0.000 0.000 0.195 1364 E C 1.767 177.985 176.600 -0.637 0.000 0.995 1364 E CA 0.688 56.285 56.400 -1.338 0.000 0.836 1364 E CB -0.620 28.783 29.700 -0.495 0.000 0.763 1364 E HN 0.360 nan 8.360 nan 0.000 0.491 1365 L N 0.421 121.419 121.223 -0.374 0.000 2.362 1365 L HA -0.121 4.219 4.340 0.000 0.000 0.219 1365 L C 2.066 178.876 176.870 -0.101 0.000 1.134 1365 L CA 0.686 55.435 54.840 -0.152 0.000 0.807 1365 L CB -0.124 41.878 42.059 -0.096 0.000 0.927 1365 L HN 0.128 nan 8.230 nan 0.000 0.447 1366 L N -2.267 118.865 121.223 -0.151 0.000 2.616 1366 L HA 0.083 4.423 4.340 0.000 0.000 0.229 1366 L C 1.946 178.977 176.870 0.268 0.000 1.110 1366 L CA -0.033 54.799 54.840 -0.014 0.000 0.884 1366 L CB -0.066 41.888 42.059 -0.174 0.000 1.115 1366 L HN 0.158 nan 8.230 nan 0.000 0.481 1367 F N 1.572 121.587 119.950 0.108 0.000 2.333 1367 F HA -0.186 4.341 4.527 0.001 0.000 0.300 1367 F C 1.646 177.525 175.800 0.131 0.000 1.083 1367 F CA 0.505 58.595 58.000 0.150 0.000 1.395 1367 F CB -0.000 39.081 39.000 0.136 0.000 1.056 1367 F HN 0.430 nan 8.300 nan 0.000 0.529 1368 N N -0.437 118.436 118.700 0.287 0.000 2.275 1368 N HA 0.083 4.823 4.740 0.000 0.000 0.236 1368 N C -0.301 175.302 175.510 0.155 0.000 1.154 1368 N CA -0.007 53.159 53.050 0.192 0.000 0.866 1368 N CB 0.151 38.731 38.487 0.155 0.000 1.093 1368 N HN 0.206 nan 8.380 nan 0.000 0.515 1369 Q N 0.309 120.213 119.800 0.174 0.000 2.378 1369 Q HA 0.391 4.731 4.340 0.000 0.000 0.276 1369 Q C -0.953 175.146 176.000 0.164 0.000 1.083 1369 Q CA -0.491 55.399 55.803 0.144 0.000 0.856 1369 Q CB 1.732 30.539 28.738 0.116 0.000 1.383 1369 Q HN 0.165 nan 8.270 nan 0.000 0.458 1370 Q N 1.328 121.215 119.800 0.144 0.000 2.349 1370 Q HA 0.469 4.809 4.340 0.000 0.000 0.254 1370 Q C -1.400 174.709 176.000 0.182 0.000 0.980 1370 Q CA -0.122 55.759 55.803 0.131 0.000 0.924 1370 Q CB 0.627 29.417 28.738 0.087 0.000 1.209 1370 Q HN 0.444 nan 8.270 nan 0.000 0.445 1371 F N 1.676 121.581 119.950 -0.074 0.000 2.596 1371 F HA 0.220 4.747 4.527 0.000 0.000 0.311 1371 F C -1.249 174.362 175.800 -0.315 0.000 1.116 1371 F CA -0.829 57.053 58.000 -0.196 0.000 0.957 1371 F CB 1.792 40.632 39.000 -0.267 0.000 1.250 1371 F HN 0.257 nan 8.300 nan 0.000 0.444 1372 Q N 5.500 124.743 119.800 -0.928 0.000 2.322 1372 Q HA 0.157 4.497 4.340 0.000 0.000 0.256 1372 Q C -1.079 174.478 176.000 -0.738 0.000 0.960 1372 Q CA -0.120 55.309 55.803 -0.623 0.000 0.934 1372 Q CB 0.852 29.341 28.738 -0.415 0.000 1.200 1372 Q HN 0.724 nan 8.270 nan 0.000 0.435 1373 Y N 2.874 123.121 120.300 -0.089 0.000 2.889 1373 Y HA 0.001 4.551 4.550 0.000 0.000 0.367 1373 Y C 0.920 176.817 175.900 -0.005 0.000 1.197 1373 Y CA -0.109 58.023 58.100 0.054 0.000 1.993 1373 Y CB 0.168 38.723 38.460 0.158 0.000 2.112 1373 Y HN 0.461 nan 8.280 nan 0.000 0.413 1374 Q N -0.286 119.504 119.800 -0.016 0.000 2.630 1374 Q HA 0.562 4.902 4.340 0.000 0.000 0.295 1374 Q C -1.955 174.007 176.000 -0.063 0.000 0.944 1374 Q CA -1.262 54.532 55.803 -0.016 0.000 0.766 1374 Q CB 2.252 30.974 28.738 -0.026 0.000 1.471 1374 Q HN 0.265 nan 8.270 nan 0.000 0.416 1375 N N -0.689 117.980 118.700 -0.052 0.000 2.823 1375 N HA 0.606 5.346 4.740 0.000 0.000 0.251 1375 N C -2.208 173.262 175.510 -0.067 0.000 1.392 1375 N CA -0.530 52.487 53.050 -0.055 0.000 0.864 1375 N CB 2.373 40.838 38.487 -0.036 0.000 1.481 1375 N HN 0.611 nan 8.380 nan 0.000 0.508 1376 R N 2.253 122.730 120.500 -0.038 0.000 2.605 1376 R HA 0.438 4.778 4.340 0.000 0.000 0.291 1376 R C -1.209 175.183 176.300 0.154 0.000 1.226 1376 R CA -0.485 55.608 56.100 -0.012 0.000 0.981 1376 R CB 0.244 30.448 30.300 -0.161 0.000 1.215 1376 R HN 0.552 nan 8.270 nan 0.000 0.428 1377 I N 3.487 124.273 120.570 0.360 0.000 2.821 1377 I HA 0.055 4.225 4.170 0.000 0.000 0.294 1377 I C 0.801 177.056 176.117 0.229 0.000 1.210 1377 I CA 0.498 61.919 61.300 0.201 0.000 1.430 1377 I CB -0.053 38.052 38.000 0.176 0.000 1.356 1377 I HN 0.703 nan 8.210 nan 0.000 0.563 1378 A N 5.187 128.008 122.820 0.001 0.000 2.316 1378 A HA 0.308 4.628 4.320 0.000 0.000 0.284 1378 A C 1.231 178.729 177.584 -0.145 0.000 1.115 1378 A CA -0.174 51.775 52.037 -0.147 0.000 0.812 1378 A CB 0.872 19.454 19.000 -0.696 0.000 1.064 1378 A HN 0.784 nan 8.150 nan 0.000 0.489 1379 S N 0.410 116.039 115.700 -0.118 0.000 2.368 1379 S HA -0.135 4.335 4.470 0.000 0.000 0.224 1379 S C 1.652 176.144 174.600 -0.179 0.000 1.029 1379 S CA 2.061 60.110 58.200 -0.251 0.000 0.988 1379 S CB -0.392 62.784 63.200 -0.040 0.000 0.838 1379 S HN 0.779 nan 8.310 nan 0.000 0.462 1380 E N 0.393 120.538 120.200 -0.091 0.000 2.118 1380 E HA -0.097 4.254 4.350 0.000 0.000 0.195 1380 E C 1.591 178.170 176.600 -0.035 0.000 0.992 1380 E CA 1.132 57.523 56.400 -0.014 0.000 0.804 1380 E CB -0.329 29.365 29.700 -0.010 0.000 0.741 1380 E HN 0.557 nan 8.360 nan 0.000 0.458 1381 F N 2.035 121.713 119.950 -0.454 0.000 2.102 1381 F HA -0.194 4.334 4.527 0.000 0.000 0.298 1381 F C 1.982 177.692 175.800 -0.150 0.000 1.105 1381 F CA 1.391 59.236 58.000 -0.258 0.000 1.239 1381 F CB -0.520 38.216 39.000 -0.440 0.000 0.991 1381 F HN 0.034 nan 8.300 nan 0.000 0.474 1382 N N -0.170 118.258 118.700 -0.453 0.000 2.104 1382 N HA -0.172 4.568 4.740 0.000 0.000 0.190 1382 N C 1.691 176.821 175.510 -0.633 0.000 1.024 1382 N CA 2.091 54.401 53.050 -1.234 0.000 0.853 1382 N CB -0.394 37.401 38.487 -1.154 0.000 1.008 1382 N HN 0.308 nan 8.380 nan 0.000 0.424 1383 T N 1.782 116.110 114.554 -0.377 0.000 2.737 1383 T HA -0.104 4.246 4.350 0.000 0.000 0.265 1383 T C 1.850 176.493 174.700 -0.094 0.000 1.038 1383 T CA 1.387 63.288 62.100 -0.333 0.000 1.144 1383 T CB -0.242 68.450 68.868 -0.293 0.000 0.866 1383 T HN 0.410 nan 8.240 nan 0.000 0.434 1384 L N -1.331 119.879 121.223 -0.022 0.000 2.549 1384 L HA 0.191 4.532 4.340 0.000 0.000 0.229 1384 L C 1.680 178.545 176.870 -0.008 0.000 1.158 1384 L CA 1.357 56.238 54.840 0.068 0.000 0.842 1384 L CB -0.960 41.158 42.059 0.099 0.000 0.952 1384 L HN 0.134 nan 8.230 nan 0.000 0.452 1385 Y N -0.535 119.578 120.300 -0.313 0.000 2.457 1385 Y HA 0.207 4.757 4.550 0.000 0.000 0.263 1385 Y C 0.904 176.419 175.900 -0.642 0.000 1.164 1385 Y CA -0.247 57.381 58.100 -0.788 0.000 1.274 1385 Y CB 0.049 38.012 38.460 -0.827 0.000 1.097 1385 Y HN 0.267 nan 8.280 nan 0.000 0.523 1386 H N 0.153 119.132 119.070 -0.153 0.000 3.198 1386 H HA -0.082 4.474 4.556 0.000 0.000 0.255 1386 H C -0.490 174.985 175.328 0.246 0.000 1.729 1386 H CA -0.155 55.895 56.048 0.002 0.000 1.495 1386 H CB -0.313 29.522 29.762 0.122 0.000 1.807 1386 H HN 0.378 nan 8.280 nan 0.000 0.554 1387 W N 1.754 123.015 121.300 -0.066 0.000 3.066 1387 W HA 0.094 4.754 4.660 0.000 0.000 0.442 1387 W C 0.846 177.340 176.519 -0.041 0.000 0.820 1387 W CA -0.850 56.499 57.345 0.005 0.000 2.047 1387 W CB -1.181 28.317 29.460 0.063 0.000 0.980 1387 W HN 0.662 nan 8.180 nan 0.000 0.825 1388 H N 0.458 119.751 119.070 0.372 0.000 2.456 1388 H HA -0.102 4.454 4.556 0.000 0.000 0.296 1388 H C -0.483 174.984 175.328 0.233 0.000 1.079 1388 H CA 1.485 57.701 56.048 0.279 0.000 1.322 1388 H CB -1.179 28.735 29.762 0.252 0.000 1.388 1388 H HN 0.006 nan 8.280 nan 0.000 0.538 1389 P HA -0.135 nan 4.420 nan 0.000 0.225 1389 P C 1.216 178.600 177.300 0.140 0.000 1.148 1389 P CA 0.952 64.153 63.100 0.169 0.000 0.779 1389 P CB 0.050 31.804 31.700 0.090 0.000 0.780 1390 L N -1.424 119.899 121.223 0.166 0.000 2.046 1390 L HA -0.115 4.225 4.340 0.000 0.000 0.208 1390 L C 1.077 178.042 176.870 0.158 0.000 1.077 1390 L CA 0.730 55.654 54.840 0.139 0.000 0.747 1390 L CB -0.790 41.379 42.059 0.183 0.000 0.896 1390 L HN -0.020 nan 8.230 nan 0.000 0.432 1391 L N 0.747 122.089 121.223 0.198 0.000 2.514 1391 L HA 0.057 4.397 4.340 0.000 0.000 0.280 1391 L C -1.925 175.069 176.870 0.207 0.000 1.223 1391 L CA -1.353 53.609 54.840 0.203 0.000 0.864 1391 L CB -0.564 41.756 42.059 0.435 0.000 1.118 1391 L HN -0.047 nan 8.230 nan 0.000 0.494 1392 P HA 0.163 nan 4.420 nan 0.000 0.297 1392 P C -0.470 176.705 177.300 -0.209 0.000 1.307 1392 P CA -0.427 62.523 63.100 -0.249 0.000 0.773 1392 P CB 0.966 32.337 31.700 -0.549 0.000 1.265 1393 D N -1.592 118.628 120.400 -0.299 0.000 2.305 1393 D HA 0.041 4.681 4.640 0.000 0.000 0.206 1393 D C 0.416 176.639 176.300 -0.128 0.000 0.974 1393 D CA 1.292 55.244 54.000 -0.079 0.000 0.871 1393 D CB 0.137 40.877 40.800 -0.100 0.000 0.947 1393 D HN 0.498 nan 8.370 nan 0.000 0.516 1394 T N -1.992 112.314 114.554 -0.413 0.000 2.923 1394 T HA 0.520 4.870 4.350 0.000 0.000 0.311 1394 T C -0.803 173.493 174.700 -0.673 0.000 1.183 1394 T CA -0.859 61.004 62.100 -0.395 0.000 1.020 1394 T CB 1.070 69.832 68.868 -0.176 0.000 1.165 1394 T HN -0.228 nan 8.240 nan 0.000 0.482 1395 F N 2.425 122.227 119.950 -0.246 0.000 2.371 1395 F HA 0.418 4.945 4.527 0.000 0.000 0.363 1395 F C 0.495 176.250 175.800 -0.075 0.000 1.122 1395 F CA -1.018 56.809 58.000 -0.288 0.000 1.129 1395 F CB 0.893 39.332 39.000 -0.935 0.000 1.173 1395 F HN 0.446 nan 8.300 nan 0.000 0.489 1396 N N 5.635 124.355 118.700 0.034 0.000 2.527 1396 N HA 0.341 5.081 4.740 0.000 0.000 0.236 1396 N C -0.805 174.643 175.510 -0.103 0.000 0.999 1396 N CA -0.207 52.823 53.050 -0.033 0.000 0.935 1396 N CB 1.395 39.834 38.487 -0.081 0.000 1.132 1396 N HN 0.463 nan 8.380 nan 0.000 0.511 1397 I N 1.418 121.881 120.570 -0.177 0.000 2.328 1397 I HA 0.122 4.292 4.170 0.000 0.000 0.287 1397 I C 1.096 176.986 176.117 -0.379 0.000 1.012 1397 I CA -0.055 60.962 61.300 -0.472 0.000 1.195 1397 I CB 0.444 37.947 38.000 -0.829 0.000 1.350 1397 I HN 0.510 nan 8.210 nan 0.000 0.464 1398 E N 2.762 122.813 120.200 -0.248 0.000 3.043 1398 E HA -0.323 4.027 4.350 0.000 0.000 0.368 1398 E C 0.251 176.810 176.600 -0.069 0.000 1.459 1398 E CA 1.791 58.126 56.400 -0.109 0.000 1.337 1398 E CB -0.602 29.087 29.700 -0.019 0.000 1.696 1398 E HN 0.744 nan 8.360 nan 0.000 0.520 1399 D N 0.491 120.878 120.400 -0.022 0.000 2.213 1399 D HA 0.011 4.651 4.640 0.000 0.000 0.205 1399 D C 0.615 176.868 176.300 -0.079 0.000 0.961 1399 D CA 0.759 54.743 54.000 -0.027 0.000 0.853 1399 D CB 0.056 40.863 40.800 0.013 0.000 0.967 1399 D HN 0.092 nan 8.370 nan 0.000 0.496 1400 Q N 0.492 120.224 119.800 -0.114 0.000 2.631 1400 Q HA 0.247 4.587 4.340 0.000 0.000 0.210 1400 Q C -0.173 175.643 176.000 -0.308 0.000 1.094 1400 Q CA 0.545 56.169 55.803 -0.298 0.000 1.055 1400 Q CB 0.531 28.918 28.738 -0.586 0.000 1.261 1400 Q HN 0.173 nan 8.270 nan 0.000 0.615 1401 E N 0.756 120.685 120.200 -0.452 0.000 2.646 1401 E HA 0.179 4.529 4.350 0.000 0.000 0.336 1401 E C -1.342 175.100 176.600 -0.262 0.000 1.027 1401 E CA -0.080 56.167 56.400 -0.255 0.000 0.765 1401 E CB 0.676 30.274 29.700 -0.170 0.000 1.545 1401 E HN 0.386 nan 8.360 nan 0.000 0.382 1402 Y N 0.894 121.222 120.300 0.046 0.000 2.304 1402 Y HA 0.181 4.731 4.550 0.000 0.000 0.328 1402 Y C 1.300 177.293 175.900 0.155 0.000 1.123 1402 Y CA -0.469 57.715 58.100 0.139 0.000 1.218 1402 Y CB 1.098 39.717 38.460 0.265 0.000 1.207 1402 Y HN 0.291 nan 8.280 nan 0.000 0.495 1403 S N 1.444 117.340 115.700 0.328 0.000 2.645 1403 S HA 0.212 4.682 4.470 0.000 0.000 0.266 1403 S C 0.769 175.634 174.600 0.442 0.000 1.258 1403 S CA -0.566 57.828 58.200 0.322 0.000 0.990 1403 S CB 0.431 63.787 63.200 0.260 0.000 0.967 1403 S HN 0.565 nan 8.310 nan 0.000 0.556 1404 F N 1.120 121.267 119.950 0.328 0.000 2.065 1404 F HA -0.047 4.480 4.527 0.000 0.000 0.298 1404 F C 2.718 178.670 175.800 0.254 0.000 1.112 1404 F CA 1.861 60.079 58.000 0.364 0.000 1.212 1404 F CB -0.427 38.736 39.000 0.272 0.000 0.975 1404 F HN 0.588 nan 8.300 nan 0.000 0.476 1405 K N 0.602 121.241 120.400 0.398 0.000 2.089 1405 K HA -0.251 4.069 4.320 0.000 0.000 0.210 1405 K C 1.873 178.616 176.600 0.239 0.000 1.048 1405 K CA 2.121 58.571 56.287 0.272 0.000 0.926 1405 K CB -0.405 32.228 32.500 0.222 0.000 0.714 1405 K HN 0.487 nan 8.250 nan 0.000 0.448 1406 Q N -1.613 118.354 119.800 0.279 0.000 2.269 1406 Q HA -0.071 4.269 4.340 0.000 0.000 0.201 1406 Q C 1.995 178.128 176.000 0.223 0.000 0.946 1406 Q CA 0.701 56.668 55.803 0.273 0.000 0.877 1406 Q CB -0.134 28.835 28.738 0.385 0.000 0.963 1406 Q HN 0.170 nan 8.270 nan 0.000 0.472 1407 F N 1.636 121.601 119.950 0.026 0.000 2.187 1407 F HA 0.031 4.559 4.527 0.000 0.000 0.295 1407 F C 0.915 176.565 175.800 -0.250 0.000 1.091 1407 F CA 0.328 58.225 58.000 -0.171 0.000 1.308 1407 F CB 0.131 38.933 39.000 -0.330 0.000 1.030 1407 F HN -0.075 nan 8.300 nan 0.000 0.487 1408 L N 1.650 122.745 121.223 -0.214 0.000 2.559 1408 L HA -0.159 4.182 4.340 0.000 0.000 0.282 1408 L C 0.283 176.753 176.870 -0.665 0.000 1.232 1408 L CA 0.128 54.585 54.840 -0.638 0.000 0.885 1408 L CB -0.858 40.660 42.059 -0.901 0.000 1.131 1408 L HN 0.507 nan 8.230 nan 0.000 0.498 1409 Y N 0.838 121.101 120.300 -0.062 0.000 3.305 1409 Y HA -0.282 4.268 4.550 0.000 0.000 0.214 1409 Y C 0.453 176.295 175.900 -0.097 0.000 1.185 1409 Y CA 0.187 58.267 58.100 -0.033 0.000 1.326 1409 Y CB -2.110 36.377 38.460 0.044 0.000 1.367 1409 Y HN 0.630 nan 8.280 nan 0.000 0.588 1410 N N 1.457 120.064 118.700 -0.156 0.000 2.696 1410 N HA 0.213 4.953 4.740 0.000 0.000 0.246 1410 N C 0.104 175.436 175.510 -0.295 0.000 1.057 1410 N CA -0.470 52.475 53.050 -0.176 0.000 0.867 1410 N CB 0.353 38.745 38.487 -0.160 0.000 1.141 1410 N HN 0.288 nan 8.380 nan 0.000 0.517 1411 N N 0.400 118.912 118.700 -0.313 0.000 2.398 1411 N HA -0.007 4.733 4.740 0.000 0.000 0.188 1411 N C 0.925 176.213 175.510 -0.370 0.000 1.122 1411 N CA 0.244 53.038 53.050 -0.428 0.000 0.866 1411 N CB 0.403 38.481 38.487 -0.681 0.000 0.970 1411 N HN 0.407 nan 8.380 nan 0.000 0.462 1412 S N 1.049 116.594 115.700 -0.259 0.000 2.402 1412 S HA 0.028 4.498 4.470 0.000 0.000 0.229 1412 S C 2.045 176.564 174.600 -0.135 0.000 1.021 1412 S CA 0.454 58.544 58.200 -0.182 0.000 0.974 1412 S CB -0.049 63.085 63.200 -0.111 0.000 0.800 1412 S HN 0.280 nan 8.310 nan 0.000 0.484 1413 I N 1.162 121.659 120.570 -0.121 0.000 2.163 1413 I HA -0.189 3.981 4.170 0.000 0.000 0.243 1413 I C 2.421 178.623 176.117 0.140 0.000 1.085 1413 I CA 0.982 62.291 61.300 0.014 0.000 1.347 1413 I CB -0.415 37.510 38.000 -0.124 0.000 1.044 1413 I HN 0.237 nan 8.210 nan 0.000 0.408 1414 L N 0.886 122.033 121.223 -0.127 0.000 1.994 1414 L HA -0.194 4.146 4.340 0.000 0.000 0.208 1414 L C 2.303 179.041 176.870 -0.219 0.000 1.071 1414 L CA 1.866 56.448 54.840 -0.429 0.000 0.745 1414 L CB -0.572 41.156 42.059 -0.553 0.000 0.892 1414 L HN 0.134 nan 8.230 nan 0.000 0.431 1415 L N -0.646 120.428 121.223 -0.248 0.000 2.261 1415 L HA -0.202 4.138 4.340 0.000 0.000 0.216 1415 L C 2.439 179.244 176.870 -0.107 0.000 1.114 1415 L CA 1.112 55.813 54.840 -0.232 0.000 0.777 1415 L CB -0.447 41.450 42.059 -0.270 0.000 0.910 1415 L HN 0.434 nan 8.230 nan 0.000 0.440 1416 E N -0.172 119.971 120.200 -0.096 0.000 2.008 1416 E HA -0.179 4.171 4.350 0.000 0.000 0.191 1416 E C 2.173 178.657 176.600 -0.193 0.000 0.986 1416 E CA 1.473 57.767 56.400 -0.178 0.000 0.807 1416 E CB -0.001 29.530 29.700 -0.280 0.000 0.766 1416 E HN 0.440 nan 8.360 nan 0.000 0.450 1417 H N -0.676 118.477 119.070 0.137 0.000 2.497 1417 H HA 0.265 4.821 4.556 0.000 0.000 0.282 1417 H C 0.987 176.401 175.328 0.143 0.000 1.003 1417 H CA 0.798 56.945 56.048 0.165 0.000 1.307 1417 H CB 0.234 30.145 29.762 0.247 0.000 1.437 1417 H HN 0.305 nan 8.280 nan 0.000 0.544 1418 G N 1.004 109.930 108.800 0.210 0.000 2.712 1418 G HA2 -0.213 3.747 3.960 0.000 0.000 0.686 1418 G HA3 -0.213 3.747 3.960 0.000 0.000 0.686 1418 G C 0.459 175.414 174.900 0.093 0.000 1.321 1418 G CA -0.251 44.932 45.100 0.139 0.000 0.813 1418 G HN 0.142 nan 8.290 nan 0.000 0.599 1419 L N 1.066 122.291 121.223 0.003 0.000 2.079 1419 L HA -0.102 4.238 4.340 0.000 0.000 0.210 1419 L C 3.169 180.050 176.870 0.018 0.000 1.081 1419 L CA 3.086 57.896 54.840 -0.050 0.000 0.752 1419 L CB -1.756 40.227 42.059 -0.127 0.000 0.896 1419 L HN 0.878 nan 8.230 nan 0.000 0.433 1420 T N -1.352 113.216 114.554 0.023 0.000 2.746 1420 T HA -0.244 4.106 4.350 0.000 0.000 0.267 1420 T C 1.809 176.540 174.700 0.053 0.000 1.039 1420 T CA 1.331 63.445 62.100 0.023 0.000 1.142 1420 T CB -0.115 68.764 68.868 0.019 0.000 0.866 1420 T HN 0.150 nan 8.240 nan 0.000 0.444 1421 Q N 0.085 119.947 119.800 0.102 0.000 2.119 1421 Q HA 0.024 4.364 4.340 0.000 0.000 0.201 1421 Q C 1.794 177.800 176.000 0.009 0.000 0.972 1421 Q CA 1.363 57.219 55.803 0.088 0.000 0.847 1421 Q CB -0.583 28.264 28.738 0.182 0.000 0.903 1421 Q HN 0.489 nan 8.270 nan 0.000 0.433 1422 F N -0.997 118.843 119.950 -0.183 0.000 2.102 1422 F HA -0.167 4.360 4.527 0.000 0.000 0.298 1422 F C 2.182 177.819 175.800 -0.272 0.000 1.105 1422 F CA 1.056 58.829 58.000 -0.378 0.000 1.239 1422 F CB -0.646 38.184 39.000 -0.283 0.000 0.991 1422 F HN -0.078 nan 8.300 nan 0.000 0.474 1423 V N -0.253 119.698 119.914 0.063 0.000 2.287 1423 V HA -0.300 3.820 4.120 0.000 0.000 0.248 1423 V C 2.177 178.288 176.094 0.028 0.000 1.053 1423 V CA 2.149 64.470 62.300 0.035 0.000 1.027 1423 V CB -0.688 31.122 31.823 -0.022 0.000 0.646 1423 V HN 0.305 nan 8.190 nan 0.000 0.447 1424 E N 0.009 120.213 120.200 0.008 0.000 2.072 1424 E HA -0.152 4.198 4.350 0.000 0.000 0.191 1424 E C 2.427 179.031 176.600 0.008 0.000 0.985 1424 E CA 1.522 57.936 56.400 0.023 0.000 0.801 1424 E CB -0.157 29.555 29.700 0.020 0.000 0.750 1424 E HN 0.528 nan 8.360 nan 0.000 0.452 1425 S N 0.183 115.831 115.700 -0.086 0.000 2.371 1425 S HA -0.063 4.407 4.470 0.000 0.000 0.224 1425 S C 1.485 176.104 174.600 0.033 0.000 1.029 1425 S CA 0.665 58.788 58.200 -0.128 0.000 0.978 1425 S CB -0.112 62.865 63.200 -0.371 0.000 0.833 1425 S HN 0.182 nan 8.310 nan 0.000 0.466 1426 F N 2.119 122.070 119.950 0.001 0.000 2.456 1426 F HA 0.074 4.601 4.527 0.000 0.000 0.298 1426 F C 2.499 178.361 175.800 0.104 0.000 1.104 1426 F CA 0.351 58.400 58.000 0.082 0.000 1.435 1426 F CB -1.432 37.663 39.000 0.159 0.000 1.078 1426 F HN 0.133 nan 8.300 nan 0.000 0.546 1427 T N -0.924 113.775 114.554 0.242 0.000 3.023 1427 T HA -0.064 4.287 4.350 0.000 0.000 0.266 1427 T C 2.135 176.921 174.700 0.142 0.000 1.093 1427 T CA 0.810 63.001 62.100 0.152 0.000 1.129 1427 T CB 0.018 68.935 68.868 0.081 0.000 0.899 1427 T HN 0.178 nan 8.240 nan 0.000 0.491 1428 R N 0.497 121.077 120.500 0.134 0.000 2.189 1428 R HA 0.173 4.513 4.340 0.000 0.000 0.203 1428 R C 1.215 177.568 176.300 0.087 0.000 1.012 1428 R CA 0.104 56.262 56.100 0.096 0.000 1.015 1428 R CB 0.232 30.570 30.300 0.063 0.000 0.938 1428 R HN 0.347 nan 8.270 nan 0.000 0.472 1429 Q N 1.719 121.592 119.800 0.122 0.000 2.307 1429 Q HA 0.140 4.481 4.340 0.000 0.000 0.259 1429 Q C -0.623 175.428 176.000 0.086 0.000 0.998 1429 Q CA -0.259 55.597 55.803 0.089 0.000 0.923 1429 Q CB 0.833 29.643 28.738 0.119 0.000 1.196 1429 Q HN 0.069 nan 8.270 nan 0.000 0.416 1430 I N 3.533 124.145 120.570 0.070 0.000 2.754 1430 I HA 0.275 4.446 4.170 0.000 0.000 0.285 1430 I C -0.517 175.696 176.117 0.161 0.000 1.166 1430 I CA 0.472 61.836 61.300 0.106 0.000 1.417 1430 I CB 0.874 38.950 38.000 0.128 0.000 1.382 1430 I HN 0.801 nan 8.210 nan 0.000 0.588 1431 A N 5.154 128.069 122.820 0.158 0.000 2.322 1431 A HA 0.780 5.101 4.320 0.000 0.000 0.327 1431 A C 0.112 177.797 177.584 0.168 0.000 1.134 1431 A CA -0.196 51.955 52.037 0.191 0.000 0.831 1431 A CB 0.540 19.613 19.000 0.122 0.000 1.288 1431 A HN 0.908 nan 8.150 nan 0.000 0.472 1432 G N -0.306 108.582 108.800 0.147 0.000 2.636 1432 G HA2 0.434 4.394 3.960 0.000 0.000 0.246 1432 G HA3 0.434 4.394 3.960 0.000 0.000 0.246 1432 G C 0.285 175.053 174.900 -0.220 0.000 1.216 1432 G CA -0.420 44.547 45.100 -0.221 0.000 0.854 1432 G HN 0.939 nan 8.290 nan 0.000 0.572 1433 R N -0.109 120.205 120.500 -0.309 0.000 2.582 1433 R HA 0.342 4.682 4.340 0.000 0.000 0.271 1433 R C 0.588 176.772 176.300 -0.193 0.000 1.078 1433 R CA -0.594 55.346 56.100 -0.265 0.000 1.127 1433 R CB 0.993 31.140 30.300 -0.256 0.000 1.038 1433 R HN 0.226 nan 8.270 nan 0.000 0.500 1434 V N 2.461 122.262 119.914 -0.189 0.000 2.788 1434 V HA 0.085 4.205 4.120 0.000 0.000 0.241 1434 V C 1.493 177.561 176.094 -0.044 0.000 1.083 1434 V CA 1.433 63.680 62.300 -0.089 0.000 1.103 1434 V CB 0.150 31.922 31.823 -0.085 0.000 0.800 1434 V HN 0.925 nan 8.190 nan 0.000 0.476 1435 A N 0.509 123.308 122.820 -0.036 0.000 2.218 1435 A HA 0.262 4.583 4.320 0.000 0.000 0.209 1435 A C 2.155 179.711 177.584 -0.047 0.000 1.168 1435 A CA 1.001 53.028 52.037 -0.017 0.000 0.804 1435 A CB -0.611 18.410 19.000 0.034 0.000 0.834 1435 A HN 0.482 nan 8.150 nan 0.000 0.482 1436 G N -0.148 108.605 108.800 -0.077 0.000 2.422 1436 G HA2 0.346 4.306 3.960 0.000 0.000 0.218 1436 G HA3 0.346 4.306 3.960 0.000 0.000 0.218 1436 G C 0.981 175.844 174.900 -0.062 0.000 1.146 1436 G CA 0.831 45.885 45.100 -0.077 0.000 0.769 1436 G HN 1.709 nan 8.290 nan 0.000 0.547 1437 G N -1.346 107.417 108.800 -0.060 0.000 2.440 1437 G HA2 0.127 4.087 3.960 0.000 0.000 0.684 1437 G HA3 0.127 4.087 3.960 0.000 0.000 0.684 1437 G C 0.043 174.915 174.900 -0.046 0.000 1.309 1437 G CA -0.331 44.740 45.100 -0.048 0.000 0.931 1437 G HN 0.831 nan 8.290 nan 0.000 0.612 1438 R N -0.651 119.829 120.500 -0.033 0.000 2.916 1438 R HA -0.234 4.106 4.340 0.000 0.000 0.232 1438 R C 0.335 176.619 176.300 -0.027 0.000 0.833 1438 R CA 1.081 57.167 56.100 -0.024 0.000 0.566 1438 R CB -1.030 29.256 30.300 -0.023 0.000 1.058 1438 R HN 0.516 nan 8.270 nan 0.000 0.498 1439 N N -0.318 118.369 118.700 -0.022 0.000 2.307 1439 N HA 0.089 4.830 4.740 0.000 0.000 0.248 1439 N C -0.968 174.561 175.510 0.031 0.000 1.322 1439 N CA -0.087 52.949 53.050 -0.023 0.000 0.861 1439 N CB 1.135 39.571 38.487 -0.086 0.000 1.303 1439 N HN 0.078 nan 8.380 nan 0.000 0.498 1440 V N 2.885 122.828 119.914 0.048 0.000 2.427 1440 V HA 0.332 4.452 4.120 0.000 0.000 0.268 1440 V C -2.011 174.119 176.094 0.060 0.000 1.046 1440 V CA -1.444 60.909 62.300 0.087 0.000 0.970 1440 V CB 1.021 32.899 31.823 0.092 0.000 1.001 1440 V HN 0.105 nan 8.190 nan 0.000 0.476 1441 P HA 0.124 nan 4.420 nan 0.000 0.264 1441 P C 1.112 178.355 177.300 -0.096 0.000 1.193 1441 P CA 0.222 63.318 63.100 -0.008 0.000 0.763 1441 P CB 0.520 32.211 31.700 -0.014 0.000 0.810 1442 I N 2.380 122.890 120.570 -0.100 0.000 2.454 1442 I HA -0.253 3.917 4.170 0.000 0.000 0.254 1442 I C 1.969 177.984 176.117 -0.170 0.000 1.156 1442 I CA 1.385 62.625 61.300 -0.100 0.000 1.433 1442 I CB -0.484 37.479 38.000 -0.062 0.000 1.082 1442 I HN 0.386 nan 8.210 nan 0.000 0.432 1443 A N -0.194 122.423 122.820 -0.339 0.000 2.172 1443 A HA -0.052 4.268 4.320 0.000 0.000 0.216 1443 A C 1.856 179.229 177.584 -0.352 0.000 1.154 1443 A CA 1.047 52.813 52.037 -0.451 0.000 0.701 1443 A CB -0.179 18.210 19.000 -1.019 0.000 0.789 1443 A HN 0.292 nan 8.150 nan 0.000 0.465 1444 V N 0.269 120.020 119.914 -0.271 0.000 2.991 1444 V HA 0.013 4.133 4.120 0.000 0.000 0.355 1444 V C 1.589 177.625 176.094 -0.096 0.000 1.384 1444 V CA 0.523 62.739 62.300 -0.140 0.000 1.171 1444 V CB 0.052 31.828 31.823 -0.078 0.000 1.190 1444 V HN 0.864 nan 8.190 nan 0.000 0.540 1445 Q N 0.260 120.016 119.800 -0.073 0.000 2.224 1445 Q HA -0.068 4.273 4.340 0.000 0.000 0.203 1445 Q C 2.019 178.003 176.000 -0.027 0.000 0.970 1445 Q CA 1.773 57.556 55.803 -0.034 0.000 0.865 1445 Q CB -0.347 28.375 28.738 -0.026 0.000 0.922 1445 Q HN 0.538 nan 8.270 nan 0.000 0.445 1446 A N 1.443 124.241 122.820 -0.036 0.000 1.877 1446 A HA -0.133 4.187 4.320 0.000 0.000 0.216 1446 A C 2.402 179.960 177.584 -0.044 0.000 1.186 1446 A CA 1.647 53.666 52.037 -0.030 0.000 0.620 1446 A CB -0.950 18.036 19.000 -0.024 0.000 0.822 1446 A HN 0.251 nan 8.150 nan 0.000 0.443 1447 V N 0.004 119.873 119.914 -0.075 0.000 2.324 1447 V HA -0.301 3.819 4.120 0.000 0.000 0.250 1447 V C 2.994 179.049 176.094 -0.066 0.000 1.060 1447 V CA 2.155 64.390 62.300 -0.109 0.000 1.042 1447 V CB -1.487 30.155 31.823 -0.302 0.000 0.650 1447 V HN 0.621 nan 8.190 nan 0.000 0.450 1448 A N -0.671 122.137 122.820 -0.020 0.000 1.898 1448 A HA -0.197 4.123 4.320 0.000 0.000 0.216 1448 A C 2.382 180.009 177.584 0.072 0.000 1.181 1448 A CA 1.876 53.974 52.037 0.101 0.000 0.620 1448 A CB -0.464 18.629 19.000 0.155 0.000 0.819 1448 A HN 0.470 nan 8.150 nan 0.000 0.442 1449 K N -0.279 120.137 120.400 0.027 0.000 2.009 1449 K HA -0.147 4.173 4.320 0.000 0.000 0.210 1449 K C 2.253 178.837 176.600 -0.027 0.000 1.049 1449 K CA 1.306 57.603 56.287 0.016 0.000 0.929 1449 K CB -0.341 32.160 32.500 0.002 0.000 0.714 1449 K HN 0.387 nan 8.250 nan 0.000 0.440 1450 A N 0.780 123.566 122.820 -0.057 0.000 1.908 1450 A HA -0.166 4.155 4.320 0.000 0.000 0.218 1450 A C 2.204 179.676 177.584 -0.186 0.000 1.181 1450 A CA 2.149 54.132 52.037 -0.090 0.000 0.627 1450 A CB -0.625 18.331 19.000 -0.073 0.000 0.818 1450 A HN 0.349 nan 8.150 nan 0.000 0.445 1451 S N -0.007 115.519 115.700 -0.291 0.000 2.365 1451 S HA -0.181 4.289 4.470 0.000 0.000 0.225 1451 S C 1.814 176.108 174.600 -0.510 0.000 1.039 1451 S CA 1.652 59.462 58.200 -0.651 0.000 1.033 1451 S CB -0.567 61.897 63.200 -1.227 0.000 0.887 1451 S HN 0.565 nan 8.310 nan 0.000 0.447 1452 I N 1.859 122.301 120.570 -0.214 0.000 2.127 1452 I HA -0.229 3.941 4.170 0.000 0.000 0.241 1452 I C 2.157 178.228 176.117 -0.077 0.000 1.075 1452 I CA 1.353 62.637 61.300 -0.027 0.000 1.334 1452 I CB -0.643 37.418 38.000 0.102 0.000 1.040 1452 I HN 0.222 nan 8.210 nan 0.000 0.405 1453 D N 0.697 121.055 120.400 -0.071 0.000 2.087 1453 D HA -0.220 4.420 4.640 0.000 0.000 0.192 1453 D C 2.219 178.473 176.300 -0.076 0.000 0.993 1453 D CA 1.421 55.390 54.000 -0.051 0.000 0.828 1453 D CB -0.493 40.286 40.800 -0.036 0.000 0.968 1453 D HN 0.429 nan 8.370 nan 0.000 0.448 1454 Q N 0.419 120.147 119.800 -0.120 0.000 2.135 1454 Q HA -0.095 4.245 4.340 0.000 0.000 0.204 1454 Q C 2.311 178.200 176.000 -0.184 0.000 0.981 1454 Q CA 1.287 57.019 55.803 -0.120 0.000 0.856 1454 Q CB -0.027 28.627 28.738 -0.139 0.000 0.902 1454 Q HN 0.101 nan 8.270 nan 0.000 0.425 1455 S N 0.237 115.736 115.700 -0.334 0.000 2.399 1455 S HA -0.109 4.361 4.470 0.000 0.000 0.231 1455 S C 1.695 176.169 174.600 -0.210 0.000 1.022 1455 S CA 1.014 58.868 58.200 -0.576 0.000 0.983 1455 S CB -0.057 62.726 63.200 -0.695 0.000 0.803 1455 S HN 0.320 nan 8.310 nan 0.000 0.480 1456 R N 0.896 121.351 120.500 -0.074 0.000 2.119 1456 R HA 0.094 4.434 4.340 0.000 0.000 0.222 1456 R C 2.368 178.704 176.300 0.059 0.000 1.088 1456 R CA 0.751 56.872 56.100 0.035 0.000 0.984 1456 R CB -0.140 30.182 30.300 0.038 0.000 0.884 1456 R HN 0.430 nan 8.270 nan 0.000 0.447 1457 E N 0.922 121.141 120.200 0.032 0.000 2.077 1457 E HA -0.140 4.210 4.350 0.000 0.000 0.193 1457 E C 1.282 177.942 176.600 0.100 0.000 0.989 1457 E CA 1.072 57.508 56.400 0.059 0.000 0.800 1457 E CB 0.131 29.856 29.700 0.041 0.000 0.746 1457 E HN 0.267 nan 8.360 nan 0.000 0.452 1458 M N 0.793 120.464 119.600 0.119 0.000 2.608 1458 M HA 0.044 4.524 4.480 0.000 0.000 0.224 1458 M C -0.364 176.085 176.300 0.248 0.000 1.204 1458 M CA 0.154 55.570 55.300 0.193 0.000 0.984 1458 M CB 0.408 33.162 32.600 0.256 0.000 1.691 1458 M HN -0.188 nan 8.290 nan 0.000 0.469 1459 K N -0.241 120.277 120.400 0.196 0.000 3.156 1459 K HA -0.205 4.115 4.320 0.000 0.000 0.266 1459 K C -0.869 175.870 176.600 0.232 0.000 0.966 1459 K CA 0.810 57.201 56.287 0.173 0.000 0.719 1459 K CB -2.557 30.006 32.500 0.104 0.000 1.333 1459 K HN 0.340 nan 8.250 nan 0.000 0.468 1460 Y N 0.774 121.124 120.300 0.082 0.000 2.607 1460 Y HA -0.028 4.523 4.550 0.000 0.000 0.348 1460 Y C 1.728 177.727 175.900 0.165 0.000 1.261 1460 Y CA 0.428 58.621 58.100 0.155 0.000 1.480 1460 Y CB 0.482 39.023 38.460 0.135 0.000 1.358 1460 Y HN 0.192 nan 8.280 nan 0.000 0.630 1461 Q N 0.387 120.380 119.800 0.322 0.000 2.193 1461 Q HA 0.350 4.690 4.340 0.000 0.000 0.246 1461 Q C -0.145 176.015 176.000 0.266 0.000 0.959 1461 Q CA -0.866 55.015 55.803 0.130 0.000 0.904 1461 Q CB 1.334 29.955 28.738 -0.194 0.000 1.238 1461 Q HN 0.801 nan 8.270 nan 0.000 0.469 1462 S N 0.426 116.203 115.700 0.129 0.000 2.572 1462 S HA -0.082 4.388 4.470 0.000 0.000 0.267 1462 S C 1.001 175.719 174.600 0.196 0.000 1.361 1462 S CA -0.250 58.027 58.200 0.128 0.000 1.009 1462 S CB 0.369 63.593 63.200 0.040 0.000 0.888 1462 S HN 0.690 nan 8.310 nan 0.000 0.553 1463 L N 1.902 123.208 121.223 0.137 0.000 2.191 1463 L HA -0.049 4.291 4.340 0.000 0.000 0.212 1463 L C 1.827 178.759 176.870 0.103 0.000 1.103 1463 L CA 1.973 56.902 54.840 0.148 0.000 0.769 1463 L CB -0.969 41.132 42.059 0.069 0.000 0.908 1463 L HN 0.830 nan 8.230 nan 0.000 0.438 1464 N N -1.175 117.543 118.700 0.029 0.000 2.416 1464 N HA -0.109 4.631 4.740 0.000 0.000 0.177 1464 N C 1.442 176.933 175.510 -0.031 0.000 1.036 1464 N CA 0.327 53.361 53.050 -0.026 0.000 0.901 1464 N CB 0.126 38.582 38.487 -0.053 0.000 0.976 1464 N HN 0.338 nan 8.380 nan 0.000 0.444 1465 E N 0.412 120.592 120.200 -0.033 0.000 2.047 1465 E HA -0.124 4.226 4.350 0.000 0.000 0.191 1465 E C 1.273 177.783 176.600 -0.151 0.000 0.987 1465 E CA 1.168 57.488 56.400 -0.134 0.000 0.799 1465 E CB -0.289 29.283 29.700 -0.214 0.000 0.752 1465 E HN 0.473 nan 8.360 nan 0.000 0.449 1466 Y N 0.634 120.954 120.300 0.033 0.000 2.373 1466 Y HA -0.031 4.519 4.550 0.000 0.000 0.293 1466 Y C 2.497 178.487 175.900 0.149 0.000 1.129 1466 Y CA 0.938 59.111 58.100 0.122 0.000 1.226 1466 Y CB -0.005 38.542 38.460 0.145 0.000 1.000 1466 Y HN -0.040 nan 8.280 nan 0.000 0.549 1467 R N 0.019 120.620 120.500 0.167 0.000 2.066 1467 R HA -0.149 4.191 4.340 0.000 0.000 0.232 1467 R C 2.147 178.472 176.300 0.041 0.000 1.131 1467 R CA 1.492 57.631 56.100 0.065 0.000 0.955 1467 R CB -0.160 30.087 30.300 -0.088 0.000 0.851 1467 R HN 0.190 nan 8.270 nan 0.000 0.432 1468 K N 0.039 120.429 120.400 -0.015 0.000 2.057 1468 K HA -0.191 4.129 4.320 0.000 0.000 0.207 1468 K C 2.082 178.642 176.600 -0.067 0.000 1.049 1468 K CA 1.414 57.668 56.287 -0.056 0.000 0.931 1468 K CB -0.069 32.376 32.500 -0.093 0.000 0.714 1468 K HN -0.116 nan 8.250 nan 0.000 0.440 1469 R N 0.165 120.618 120.500 -0.078 0.000 2.120 1469 R HA -0.085 4.255 4.340 0.000 0.000 0.234 1469 R C 0.733 176.843 176.300 -0.316 0.000 1.123 1469 R CA 1.521 57.506 56.100 -0.192 0.000 0.975 1469 R CB -0.340 29.838 30.300 -0.203 0.000 0.866 1469 R HN 0.105 nan 8.270 nan 0.000 0.446 1470 F N 0.581 120.497 119.950 -0.057 0.000 2.730 1470 F HA 0.301 4.828 4.527 0.000 0.000 0.295 1470 F C 0.406 176.169 175.800 -0.062 0.000 1.143 1470 F CA 0.050 57.999 58.000 -0.085 0.000 1.367 1470 F CB 0.245 39.191 39.000 -0.089 0.000 0.970 1470 F HN -0.072 nan 8.300 nan 0.000 0.514 1471 S N 0.741 116.464 115.700 0.038 0.000 3.635 1471 S HA -0.178 4.292 4.470 0.000 0.000 0.328 1471 S C -0.061 174.570 174.600 0.053 0.000 1.135 1471 S CA 0.262 58.494 58.200 0.054 0.000 0.942 1471 S CB -1.795 61.467 63.200 0.103 0.000 0.930 1471 S HN 0.277 nan 8.310 nan 0.000 0.512 1472 L N 0.222 121.462 121.223 0.030 0.000 2.330 1472 L HA 0.528 4.868 4.340 0.000 0.000 0.271 1472 L C 0.495 177.330 176.870 -0.059 0.000 1.013 1472 L CA -0.831 54.001 54.840 -0.013 0.000 0.816 1472 L CB 1.207 43.246 42.059 -0.034 0.000 1.287 1472 L HN -0.019 nan 8.230 nan 0.000 0.435 1473 K N 2.115 122.465 120.400 -0.084 0.000 2.297 1473 K HA 0.306 4.626 4.320 0.000 0.000 0.286 1473 K C -2.334 174.158 176.600 -0.179 0.000 1.053 1473 K CA -1.612 54.620 56.287 -0.091 0.000 0.940 1473 K CB 1.045 33.516 32.500 -0.048 0.000 1.019 1473 K HN 0.200 nan 8.250 nan 0.000 0.475 1474 P HA -0.073 nan 4.420 nan 0.000 0.266 1474 P C -0.981 176.247 177.300 -0.119 0.000 1.195 1474 P CA 0.250 63.252 63.100 -0.165 0.000 0.768 1474 P CB 0.254 31.900 31.700 -0.090 0.000 0.838 1475 Y N 0.437 120.701 120.300 -0.060 0.000 2.425 1475 Y HA 0.030 4.580 4.550 0.000 0.000 0.331 1475 Y C 2.194 178.033 175.900 -0.102 0.000 1.157 1475 Y CA 0.030 58.083 58.100 -0.079 0.000 1.372 1475 Y CB 0.502 38.894 38.460 -0.113 0.000 1.253 1475 Y HN 0.418 nan 8.280 nan 0.000 0.536 1476 T N -2.184 112.434 114.554 0.108 0.000 3.065 1476 T HA 0.127 4.477 4.350 0.000 0.000 0.252 1476 T C 0.240 174.931 174.700 -0.014 0.000 1.099 1476 T CA 0.424 62.540 62.100 0.027 0.000 1.063 1476 T CB -0.049 68.839 68.868 0.034 0.000 0.948 1476 T HN 0.498 nan 8.240 nan 0.000 0.506 1477 S N -0.968 114.707 115.700 -0.043 0.000 2.596 1477 S HA 0.596 5.066 4.470 0.000 0.000 0.270 1477 S C -0.211 174.305 174.600 -0.140 0.000 1.155 1477 S CA -0.949 57.218 58.200 -0.055 0.000 0.827 1477 S CB 0.431 63.651 63.200 0.032 0.000 1.130 1477 S HN -0.042 nan 8.310 nan 0.000 0.467 1478 F N 1.010 120.943 119.950 -0.028 0.000 2.407 1478 F HA 0.130 4.657 4.527 0.000 0.000 0.299 1478 F C 2.411 178.151 175.800 -0.101 0.000 1.097 1478 F CA 0.924 58.888 58.000 -0.060 0.000 1.422 1478 F CB -0.213 38.778 39.000 -0.015 0.000 1.067 1478 F HN 0.675 nan 8.300 nan 0.000 0.539 1479 E N -0.036 120.216 120.200 0.087 0.000 2.216 1479 E HA -0.195 4.156 4.350 0.000 0.000 0.192 1479 E C 1.982 178.538 176.600 -0.073 0.000 0.988 1479 E CA 0.790 57.198 56.400 0.013 0.000 0.834 1479 E CB -0.108 29.608 29.700 0.027 0.000 0.772 1479 E HN 0.533 nan 8.360 nan 0.000 0.479 1480 E N 0.834 120.958 120.200 -0.127 0.000 2.158 1480 E HA -0.146 4.204 4.350 0.000 0.000 0.191 1480 E C 2.152 178.440 176.600 -0.519 0.000 0.982 1480 E CA 0.229 56.511 56.400 -0.197 0.000 0.823 1480 E CB 0.148 29.793 29.700 -0.092 0.000 0.766 1480 E HN 0.099 nan 8.360 nan 0.000 0.468 1481 L N 0.948 121.746 121.223 -0.708 0.000 2.005 1481 L HA -0.110 4.230 4.340 0.000 0.000 0.207 1481 L C 2.458 179.062 176.870 -0.443 0.000 1.072 1481 L CA 2.732 56.959 54.840 -1.021 0.000 0.744 1481 L CB -0.982 40.712 42.059 -0.608 0.000 0.895 1481 L HN 0.267 nan 8.230 nan 0.000 0.433 1482 T N -3.938 110.487 114.554 -0.215 0.000 3.009 1482 T HA 0.257 4.607 4.350 0.000 0.000 0.258 1482 T C 1.637 176.285 174.700 -0.086 0.000 1.063 1482 T CA 0.599 62.636 62.100 -0.105 0.000 1.139 1482 T CB -0.417 68.428 68.868 -0.038 0.000 0.890 1482 T HN 0.802 nan 8.240 nan 0.000 0.471 1483 G N 1.648 110.394 108.800 -0.091 0.000 2.159 1483 G HA2 -0.204 3.756 3.960 0.000 0.000 0.256 1483 G HA3 -0.204 3.756 3.960 0.000 0.000 0.256 1483 G C -0.086 174.794 174.900 -0.034 0.000 0.977 1483 G CA 0.624 45.690 45.100 -0.057 0.000 0.652 1483 G HN 0.953 nan 8.290 nan 0.000 0.531 1484 E N -1.750 118.432 120.200 -0.030 0.000 2.469 1484 E HA 0.843 5.193 4.350 0.000 0.000 0.237 1484 E C 0.912 177.505 176.600 -0.010 0.000 0.840 1484 E CA -0.743 55.645 56.400 -0.020 0.000 0.894 1484 E CB 0.336 30.023 29.700 -0.022 0.000 1.681 1484 E HN 0.020 nan 8.360 nan 0.000 0.401 1485 K N -0.664 119.730 120.400 -0.009 0.000 2.462 1485 K HA 0.148 4.468 4.320 0.000 0.000 0.201 1485 K C 1.693 178.287 176.600 -0.010 0.000 1.268 1485 K CA 0.189 56.473 56.287 -0.005 0.000 0.933 1485 K CB 0.522 33.018 32.500 -0.005 0.000 1.162 1485 K HN 0.502 nan 8.250 nan 0.000 0.527 1486 E N 1.659 121.850 120.200 -0.015 0.000 2.015 1486 E HA -0.083 4.267 4.350 0.000 0.000 0.191 1486 E C 2.003 178.588 176.600 -0.025 0.000 0.991 1486 E CA 1.096 57.483 56.400 -0.021 0.000 0.802 1486 E CB 0.093 29.780 29.700 -0.020 0.000 0.759 1486 E HN 0.105 nan 8.360 nan 0.000 0.447 1487 M N 0.255 119.844 119.600 -0.019 0.000 2.159 1487 M HA -0.156 4.324 4.480 0.000 0.000 0.263 1487 M C 2.284 178.574 176.300 -0.016 0.000 1.063 1487 M CA 1.461 56.751 55.300 -0.017 0.000 1.110 1487 M CB -0.070 32.525 32.600 -0.009 0.000 1.374 1487 M HN 0.223 nan 8.290 nan 0.000 0.411 1488 A N 0.209 123.029 122.820 0.001 0.000 1.902 1488 A HA -0.115 4.205 4.320 0.000 0.000 0.217 1488 A C 2.325 179.866 177.584 -0.072 0.000 1.181 1488 A CA 1.977 54.033 52.037 0.031 0.000 0.623 1488 A CB -1.021 18.018 19.000 0.065 0.000 0.818 1488 A HN 0.510 nan 8.150 nan 0.000 0.443 1489 A N -0.525 122.258 122.820 -0.062 0.000 1.902 1489 A HA -0.159 4.161 4.320 0.000 0.000 0.217 1489 A C 1.972 179.473 177.584 -0.138 0.000 1.181 1489 A CA 1.696 53.680 52.037 -0.089 0.000 0.623 1489 A CB -0.457 18.511 19.000 -0.053 0.000 0.818 1489 A HN 0.478 nan 8.150 nan 0.000 0.443 1490 E N -0.005 120.129 120.200 -0.110 0.000 2.077 1490 E HA -0.161 4.189 4.350 0.000 0.000 0.193 1490 E C 2.084 178.585 176.600 -0.164 0.000 0.989 1490 E CA 1.145 57.479 56.400 -0.110 0.000 0.800 1490 E CB -0.411 29.249 29.700 -0.066 0.000 0.746 1490 E HN 0.681 nan 8.360 nan 0.000 0.452 1491 L N 0.601 121.703 121.223 -0.201 0.000 2.056 1491 L HA -0.149 4.191 4.340 0.000 0.000 0.207 1491 L C 2.649 179.084 176.870 -0.724 0.000 1.078 1491 L CA 1.212 55.893 54.840 -0.264 0.000 0.749 1491 L CB -0.351 41.657 42.059 -0.084 0.000 0.901 1491 L HN 0.059 nan 8.230 nan 0.000 0.433 1492 K N 0.687 120.475 120.400 -1.020 0.000 2.147 1492 K HA -0.155 4.165 4.320 0.000 0.000 0.205 1492 K C 1.964 178.331 176.600 -0.388 0.000 1.049 1492 K CA 1.347 57.043 56.287 -0.986 0.000 0.936 1492 K CB -0.066 32.145 32.500 -0.482 0.000 0.722 1492 K HN 0.246 nan 8.250 nan 0.000 0.446 1493 A N 0.395 123.050 122.820 -0.274 0.000 2.067 1493 A HA 0.053 4.373 4.320 0.000 0.000 0.217 1493 A C 1.907 179.396 177.584 -0.158 0.000 1.156 1493 A CA 0.775 52.715 52.037 -0.160 0.000 0.683 1493 A CB -0.237 18.688 19.000 -0.125 0.000 0.808 1493 A HN 0.309 nan 8.150 nan 0.000 0.455 1494 L N -2.815 118.278 121.223 -0.217 0.000 2.145 1494 L HA 0.013 4.353 4.340 0.000 0.000 0.201 1494 L C 2.332 179.028 176.870 -0.291 0.000 1.075 1494 L CA 0.997 55.669 54.840 -0.280 0.000 0.773 1494 L CB -0.352 41.471 42.059 -0.393 0.000 0.936 1494 L HN 0.448 nan 8.230 nan 0.000 0.451 1495 Y N -1.203 119.058 120.300 -0.065 0.000 2.389 1495 Y HA -0.033 4.517 4.550 0.000 0.000 0.292 1495 Y C 2.023 177.993 175.900 0.117 0.000 1.117 1495 Y CA 0.609 58.759 58.100 0.082 0.000 1.195 1495 Y CB 0.409 39.036 38.460 0.277 0.000 1.076 1495 Y HN 0.129 nan 8.280 nan 0.000 0.548 1496 S N -1.462 114.363 115.700 0.209 0.000 1.402 1496 S HA -0.249 4.221 4.470 0.000 0.000 0.247 1496 S C -0.082 174.730 174.600 0.353 0.000 0.661 1496 S CA 1.185 59.502 58.200 0.195 0.000 1.198 1496 S CB -1.319 61.961 63.200 0.133 0.000 1.282 1496 S HN 0.475 nan 8.310 nan 0.000 0.501 1497 D N 0.881 121.493 120.400 0.353 0.000 2.177 1497 D HA 0.564 5.204 4.640 0.000 0.000 0.247 1497 D C 0.716 177.126 176.300 0.183 0.000 1.063 1497 D CA -0.396 53.751 54.000 0.245 0.000 0.867 1497 D CB 1.421 42.304 40.800 0.139 0.000 1.168 1497 D HN 0.188 nan 8.370 nan 0.000 0.445 1498 I N 2.367 122.858 120.570 -0.133 0.000 2.617 1498 I HA -0.099 4.071 4.170 0.000 0.000 0.256 1498 I C 0.970 176.930 176.117 -0.262 0.000 1.167 1498 I CA 1.053 61.988 61.300 -0.609 0.000 1.469 1498 I CB -0.019 37.621 38.000 -0.601 0.000 1.098 1498 I HN 0.265 nan 8.210 nan 0.000 0.436 1499 D N -0.269 120.067 120.400 -0.105 0.000 2.352 1499 D HA 0.029 4.669 4.640 0.000 0.000 0.232 1499 D C 1.749 178.037 176.300 -0.020 0.000 1.055 1499 D CA 0.510 54.477 54.000 -0.054 0.000 0.891 1499 D CB 0.347 41.131 40.800 -0.026 0.000 0.897 1499 D HN 0.259 nan 8.370 nan 0.000 0.529 1500 V N 0.083 119.995 119.914 -0.003 0.000 3.556 1500 V HA 0.124 4.244 4.120 0.000 0.000 0.287 1500 V C 0.584 176.647 176.094 -0.051 0.000 1.422 1500 V CA -0.261 62.071 62.300 0.052 0.000 1.038 1500 V CB 0.221 32.143 31.823 0.165 0.000 0.850 1500 V HN 0.098 nan 8.190 nan 0.000 0.437 1501 M N 1.781 121.257 119.600 -0.207 0.000 2.248 1501 M HA 0.070 4.550 4.480 0.000 0.000 0.343 1501 M C 0.215 176.349 176.300 -0.276 0.000 1.243 1501 M CA 0.533 55.542 55.300 -0.484 0.000 1.025 1501 M CB -0.298 32.088 32.600 -0.356 0.000 1.759 1501 M HN 0.290 nan 8.290 nan 0.000 0.452 1502 E N 3.769 123.772 120.200 -0.328 0.000 2.301 1502 E HA 0.119 4.469 4.350 0.000 0.000 0.275 1502 E C 0.612 177.218 176.600 0.010 0.000 1.030 1502 E CA -0.576 55.802 56.400 -0.037 0.000 0.852 1502 E CB 1.089 30.834 29.700 0.074 0.000 1.060 1502 E HN 0.774 nan 8.360 nan 0.000 0.401 1503 L N 4.120 125.400 121.223 0.096 0.000 1.944 1503 L HA -0.278 4.062 4.340 0.000 0.000 0.218 1503 L C 2.059 178.965 176.870 0.059 0.000 1.075 1503 L CA 1.995 56.888 54.840 0.087 0.000 0.767 1503 L CB -0.823 41.293 42.059 0.096 0.000 0.890 1503 L HN 0.740 nan 8.230 nan 0.000 0.434 1504 Y N 1.031 121.300 120.300 -0.051 0.000 2.030 1504 Y HA -0.246 4.304 4.550 0.000 0.000 0.272 1504 Y C -0.501 175.393 175.900 -0.010 0.000 1.185 1504 Y CA 2.584 60.644 58.100 -0.067 0.000 1.120 1504 Y CB -2.107 36.268 38.460 -0.142 0.000 0.955 1504 Y HN 0.285 nan 8.280 nan 0.000 0.495 1505 P HA -0.182 nan 4.420 nan 0.000 0.215 1505 P C 1.638 178.816 177.300 -0.203 0.000 1.157 1505 P CA 2.684 65.593 63.100 -0.318 0.000 0.868 1505 P CB -0.512 31.177 31.700 -0.019 0.000 0.788 1506 A N -0.643 122.121 122.820 -0.094 0.000 1.997 1506 A HA -0.223 4.097 4.320 0.000 0.000 0.221 1506 A C 2.243 179.800 177.584 -0.045 0.000 1.172 1506 A CA 1.716 53.729 52.037 -0.040 0.000 0.645 1506 A CB -1.798 17.203 19.000 0.001 0.000 0.813 1506 A HN 0.147 nan 8.150 nan 0.000 0.454 1507 L N -0.992 120.178 121.223 -0.087 0.000 2.093 1507 L HA -0.106 4.234 4.340 0.000 0.000 0.208 1507 L C 2.284 179.106 176.870 -0.080 0.000 1.085 1507 L CA 0.926 55.727 54.840 -0.064 0.000 0.755 1507 L CB -0.306 41.723 42.059 -0.050 0.000 0.904 1507 L HN 0.375 nan 8.230 nan 0.000 0.435 1508 L N -1.612 119.514 121.223 -0.162 0.000 2.478 1508 L HA -0.058 4.282 4.340 0.000 0.000 0.223 1508 L C 1.884 178.707 176.870 -0.079 0.000 1.140 1508 L CA 0.211 54.978 54.840 -0.121 0.000 0.842 1508 L CB 0.061 42.002 42.059 -0.198 0.000 0.953 1508 L HN 0.073 nan 8.230 nan 0.000 0.452 1509 V N -1.183 118.688 119.914 -0.071 0.000 3.605 1509 V HA 0.074 4.194 4.120 0.000 0.000 0.284 1509 V C 1.127 177.198 176.094 -0.037 0.000 1.386 1509 V CA -0.035 62.238 62.300 -0.045 0.000 1.053 1509 V CB 0.490 32.297 31.823 -0.026 0.000 0.857 1509 V HN 0.273 nan 8.190 nan 0.000 0.436 1510 E N 1.835 122.017 120.200 -0.029 0.000 2.437 1510 E HA -0.047 4.303 4.350 0.000 0.000 0.263 1510 E C 0.321 176.906 176.600 -0.024 0.000 1.030 1510 E CA -0.062 56.325 56.400 -0.022 0.000 0.934 1510 E CB 0.435 30.159 29.700 0.040 0.000 0.943 1510 E HN 0.264 nan 8.360 nan 0.000 0.444 1511 K N 5.466 125.840 120.400 -0.043 0.000 2.395 1511 K HA 0.086 4.406 4.320 0.000 0.000 0.283 1511 K C -2.319 174.286 176.600 0.009 0.000 1.068 1511 K CA -1.254 55.016 56.287 -0.027 0.000 1.039 1511 K CB 0.300 32.777 32.500 -0.039 0.000 0.924 1511 K HN 0.164 nan 8.250 nan 0.000 0.468 1512 P HA 0.040 nan 4.420 nan 0.000 0.269 1512 P C -0.583 176.730 177.300 0.020 0.000 1.217 1512 P CA -0.183 62.917 63.100 0.000 0.000 0.783 1512 P CB 0.543 32.215 31.700 -0.047 0.000 0.898 1513 R N 2.388 122.915 120.500 0.044 0.000 2.707 1513 R HA 0.250 4.590 4.340 0.000 0.000 0.270 1513 R C -1.942 174.361 176.300 0.004 0.000 1.083 1513 R CA -1.478 54.661 56.100 0.066 0.000 1.182 1513 R CB -0.894 29.500 30.300 0.156 0.000 1.084 1513 R HN 0.366 nan 8.270 nan 0.000 0.528 1514 P HA -0.111 nan 4.420 nan 0.000 0.253 1514 P C -1.014 176.247 177.300 -0.064 0.000 1.170 1514 P CA 0.902 63.988 63.100 -0.023 0.000 0.806 1514 P CB 0.143 31.846 31.700 0.004 0.000 0.775 1515 D N 0.093 120.448 120.400 -0.074 0.000 3.012 1515 D HA -0.197 4.443 4.640 0.000 0.000 0.222 1515 D C 0.292 176.502 176.300 -0.149 0.000 1.167 1515 D CA 1.511 55.448 54.000 -0.106 0.000 0.854 1515 D CB -1.071 39.669 40.800 -0.100 0.000 1.107 1515 D HN 0.467 nan 8.370 nan 0.000 0.421 1516 A N -0.082 122.653 122.820 -0.143 0.000 2.281 1516 A HA 0.701 5.022 4.320 0.000 0.000 0.329 1516 A C 1.287 178.709 177.584 -0.269 0.000 1.122 1516 A CA -0.384 51.533 52.037 -0.200 0.000 0.850 1516 A CB 1.081 20.026 19.000 -0.091 0.000 1.207 1516 A HN 0.157 nan 8.150 nan 0.000 0.495 1517 I N -0.929 119.364 120.570 -0.462 0.000 2.852 1517 I HA 0.196 4.366 4.170 0.000 0.000 0.264 1517 I C -0.659 175.168 176.117 -0.482 0.000 1.179 1517 I CA 0.470 61.415 61.300 -0.592 0.000 1.480 1517 I CB -0.059 37.364 38.000 -0.962 0.000 1.111 1517 I HN 0.470 nan 8.210 nan 0.000 0.441 1518 F N -0.041 119.769 119.950 -0.233 0.000 2.575 1518 F HA 0.656 5.183 4.527 0.000 0.000 0.330 1518 F C 0.847 176.591 175.800 -0.093 0.000 1.056 1518 F CA -1.318 56.568 58.000 -0.191 0.000 0.964 1518 F CB 0.455 39.329 39.000 -0.211 0.000 1.258 1518 F HN -0.241 nan 8.300 nan 0.000 0.484 1519 G N -0.495 108.412 108.800 0.177 0.000 2.531 1519 G HA2 0.269 4.229 3.960 0.000 0.000 0.313 1519 G HA3 0.269 4.229 3.960 0.000 0.000 0.313 1519 G C 0.559 175.529 174.900 0.116 0.000 1.238 1519 G CA -0.341 44.832 45.100 0.121 0.000 0.994 1519 G HN 0.705 nan 8.290 nan 0.000 0.493 1520 E N -0.815 119.462 120.200 0.128 0.000 2.077 1520 E HA -0.163 4.187 4.350 0.000 0.000 0.193 1520 E C 2.224 178.849 176.600 0.041 0.000 0.989 1520 E CA 1.778 58.241 56.400 0.105 0.000 0.800 1520 E CB -0.244 29.534 29.700 0.130 0.000 0.746 1520 E HN 0.454 nan 8.360 nan 0.000 0.452 1521 T N 1.234 115.813 114.554 0.040 0.000 2.720 1521 T HA -0.212 4.139 4.350 0.000 0.000 0.268 1521 T C 1.748 176.406 174.700 -0.070 0.000 1.037 1521 T CA 1.680 63.772 62.100 -0.014 0.000 1.144 1521 T CB -0.272 68.609 68.868 0.022 0.000 0.864 1521 T HN 0.177 nan 8.240 nan 0.000 0.444 1522 M N 1.301 120.859 119.600 -0.071 0.000 2.086 1522 M HA -0.030 4.451 4.480 0.000 0.000 0.261 1522 M C 2.110 178.307 176.300 -0.173 0.000 1.067 1522 M CA 1.475 56.674 55.300 -0.169 0.000 1.116 1522 M CB -0.660 31.744 32.600 -0.325 0.000 1.348 1522 M HN 0.065 nan 8.290 nan 0.000 0.407 1523 V N 0.084 119.936 119.914 -0.103 0.000 2.453 1523 V HA -0.156 3.965 4.120 0.000 0.000 0.247 1523 V C 2.357 178.412 176.094 -0.066 0.000 1.048 1523 V CA 1.534 63.800 62.300 -0.056 0.000 1.049 1523 V CB -0.852 30.953 31.823 -0.029 0.000 0.672 1523 V HN 0.404 nan 8.190 nan 0.000 0.457 1524 E N -0.083 120.066 120.200 -0.084 0.000 2.208 1524 E HA -0.029 4.321 4.350 0.000 0.000 0.193 1524 E C 2.096 178.508 176.600 -0.313 0.000 0.988 1524 E CA 0.807 57.142 56.400 -0.108 0.000 0.828 1524 E CB -0.012 29.661 29.700 -0.045 0.000 0.763 1524 E HN 0.439 nan 8.360 nan 0.000 0.478 1525 L N -0.982 119.977 121.223 -0.441 0.000 2.221 1525 L HA 0.116 4.456 4.340 0.000 0.000 0.202 1525 L C 2.267 178.848 176.870 -0.482 0.000 1.074 1525 L CA 1.163 55.469 54.840 -0.890 0.000 0.795 1525 L CB -0.946 40.747 42.059 -0.610 0.000 0.960 1525 L HN 0.138 nan 8.230 nan 0.000 0.458 1526 G N -0.031 108.719 108.800 -0.083 0.000 2.408 1526 G HA2 -0.153 3.808 3.960 0.000 0.000 0.217 1526 G HA3 -0.153 3.808 3.960 0.000 0.000 0.217 1526 G C 1.782 176.754 174.900 0.121 0.000 1.150 1526 G CA 0.829 46.065 45.100 0.226 0.000 0.776 1526 G HN 0.409 nan 8.290 nan 0.000 0.542 1527 A N 1.773 124.603 122.820 0.017 0.000 1.858 1527 A HA 0.051 4.372 4.320 0.000 0.000 0.216 1527 A C 0.784 178.340 177.584 -0.046 0.000 1.190 1527 A CA 2.002 54.057 52.037 0.030 0.000 0.617 1527 A CB -1.195 17.819 19.000 0.023 0.000 0.827 1527 A HN 0.375 nan 8.150 nan 0.000 0.443 1528 P HA -0.152 nan 4.420 nan 0.000 0.214 1528 P C 1.290 178.488 177.300 -0.169 0.000 1.163 1528 P CA 1.193 64.190 63.100 -0.172 0.000 0.883 1528 P CB -0.284 31.286 31.700 -0.217 0.000 0.788 1529 F N -0.536 119.242 119.950 -0.287 0.000 2.161 1529 F HA -0.204 4.323 4.527 0.000 0.000 0.300 1529 F C 2.740 178.130 175.800 -0.683 0.000 1.089 1529 F CA 1.187 58.828 58.000 -0.599 0.000 1.282 1529 F CB -0.782 37.503 39.000 -1.193 0.000 1.010 1529 F HN -0.018 nan 8.300 nan 0.000 0.485 1530 S N 0.701 116.216 115.700 -0.310 0.000 2.335 1530 S HA -0.148 4.322 4.470 0.000 0.000 0.216 1530 S C 1.992 176.617 174.600 0.042 0.000 1.032 1530 S CA 1.166 59.352 58.200 -0.023 0.000 1.000 1530 S CB -0.503 62.860 63.200 0.272 0.000 0.928 1530 S HN 0.251 nan 8.310 nan 0.000 0.434 1531 L N 1.316 122.576 121.223 0.062 0.000 2.083 1531 L HA -0.065 4.275 4.340 0.000 0.000 0.209 1531 L C 2.819 179.763 176.870 0.124 0.000 1.083 1531 L CA 1.106 56.000 54.840 0.091 0.000 0.752 1531 L CB -0.474 41.632 42.059 0.079 0.000 0.899 1531 L HN 0.213 nan 8.230 nan 0.000 0.433 1532 K N 0.640 121.098 120.400 0.097 0.000 2.044 1532 K HA -0.151 4.169 4.320 0.000 0.000 0.210 1532 K C 1.966 178.625 176.600 0.098 0.000 1.049 1532 K CA 1.780 58.145 56.287 0.131 0.000 0.927 1532 K CB -0.741 31.777 32.500 0.031 0.000 0.713 1532 K HN 0.378 nan 8.250 nan 0.000 0.443 1533 G N 0.053 108.851 108.800 -0.003 0.000 2.511 1533 G HA2 -0.116 3.844 3.960 0.000 0.000 0.217 1533 G HA3 -0.116 3.844 3.960 0.000 0.000 0.217 1533 G C 1.449 176.361 174.900 0.021 0.000 1.133 1533 G CA 0.037 45.108 45.100 -0.048 0.000 0.792 1533 G HN 0.171 nan 8.290 nan 0.000 0.539 1534 L N -0.028 121.237 121.223 0.070 0.000 2.102 1534 L HA 0.292 4.632 4.340 0.000 0.000 0.202 1534 L C 2.556 179.507 176.870 0.135 0.000 1.076 1534 L CA 1.155 56.047 54.840 0.086 0.000 0.761 1534 L CB -0.331 41.774 42.059 0.077 0.000 0.921 1534 L HN 0.080 nan 8.230 nan 0.000 0.444 1535 M N -1.142 118.568 119.600 0.184 0.000 2.447 1535 M HA 0.154 4.634 4.480 0.000 0.000 0.264 1535 M C 2.050 178.630 176.300 0.468 0.000 1.095 1535 M CA 0.805 56.240 55.300 0.226 0.000 1.125 1535 M CB -1.708 30.890 32.600 -0.003 0.000 1.389 1535 M HN 0.236 nan 8.290 nan 0.000 0.459 1536 G N 0.388 109.454 108.800 0.444 0.000 2.598 1536 G HA2 -0.147 3.813 3.960 0.000 0.000 0.215 1536 G HA3 -0.147 3.813 3.960 0.000 0.000 0.215 1536 G C 0.866 175.964 174.900 0.330 0.000 1.131 1536 G CA -0.071 45.260 45.100 0.385 0.000 0.785 1536 G HN 0.442 nan 8.290 nan 0.000 0.539 1537 N N 1.091 119.950 118.700 0.265 0.000 2.454 1537 N HA 0.040 4.780 4.740 0.000 0.000 0.254 1537 N C -0.964 174.646 175.510 0.166 0.000 1.228 1537 N CA -1.224 51.932 53.050 0.176 0.000 0.900 1537 N CB 1.945 40.521 38.487 0.147 0.000 1.089 1537 N HN -0.076 nan 8.380 nan 0.000 0.449 1538 P HA -0.187 nan 4.420 nan 0.000 0.216 1538 P C 1.508 178.646 177.300 -0.271 0.000 1.153 1538 P CA 1.455 64.437 63.100 -0.196 0.000 0.858 1538 P CB -0.231 31.221 31.700 -0.413 0.000 0.789 1539 I N -3.238 117.263 120.570 -0.114 0.000 2.800 1539 I HA -0.133 4.037 4.170 0.000 0.000 0.266 1539 I C 1.590 177.998 176.117 0.485 0.000 1.249 1539 I CA 1.440 62.891 61.300 0.252 0.000 1.458 1539 I CB -1.197 37.104 38.000 0.502 0.000 1.093 1539 I HN -0.148 nan 8.210 nan 0.000 0.466 1540 C N 1.117 120.568 119.300 0.251 0.000 2.799 1540 C HA 0.244 4.704 4.460 0.000 0.000 0.267 1540 C C 1.691 176.726 174.990 0.074 0.000 1.257 1540 C CA 0.197 59.303 59.018 0.146 0.000 1.702 1540 C CB -1.527 26.328 27.740 0.191 0.000 1.934 1540 C HN 0.701 nan 8.230 nan 0.000 0.594 1541 S N 1.967 117.559 115.700 -0.180 0.000 2.585 1541 S HA 0.202 4.672 4.470 0.000 0.000 0.273 1541 S C -1.656 172.911 174.600 -0.056 0.000 1.339 1541 S CA -0.581 57.252 58.200 -0.611 0.000 1.028 1541 S CB 0.612 63.486 63.200 -0.543 0.000 0.906 1541 S HN 0.076 nan 8.310 nan 0.000 0.528 1542 P HA -0.146 nan 4.420 nan 0.000 0.215 1542 P C 1.572 178.814 177.300 -0.095 0.000 1.157 1542 P CA 1.181 64.022 63.100 -0.433 0.000 0.874 1542 P CB 0.007 31.287 31.700 -0.700 0.000 0.790 1543 Q N -2.149 117.605 119.800 -0.075 0.000 2.291 1543 Q HA -0.137 4.203 4.340 0.000 0.000 0.206 1543 Q C 1.834 177.731 176.000 -0.172 0.000 0.976 1543 Q CA 1.484 57.219 55.803 -0.113 0.000 0.875 1543 Q CB -0.615 28.045 28.738 -0.131 0.000 0.927 1543 Q HN 0.478 nan 8.270 nan 0.000 0.450 1544 Y N -2.220 118.093 120.300 0.021 0.000 2.441 1544 Y HA 0.027 4.577 4.550 0.001 0.000 0.288 1544 Y C 0.955 176.971 175.900 0.193 0.000 1.118 1544 Y CA -0.294 57.840 58.100 0.057 0.000 1.215 1544 Y CB 0.265 38.801 38.460 0.126 0.000 1.118 1544 Y HN 0.148 nan 8.280 nan 0.000 0.547 1545 W N 5.230 126.705 121.300 0.292 0.000 2.160 1545 W HA 0.211 4.871 4.660 0.000 0.000 0.464 1545 W C -0.665 175.979 176.519 0.209 0.000 0.914 1545 W CA 0.298 57.900 57.345 0.428 0.000 1.742 1545 W CB -0.586 29.215 29.460 0.568 0.000 1.780 1545 W HN 0.086 nan 8.180 nan 0.000 0.307 1546 K N 3.069 123.265 120.400 -0.339 0.000 2.610 1546 K HA 0.284 4.604 4.320 0.000 0.000 0.278 1546 K C -2.695 173.334 176.600 -0.952 0.000 0.964 1546 K CA -1.475 54.414 56.287 -0.662 0.000 0.859 1546 K CB 1.231 33.557 32.500 -0.289 0.000 1.434 1546 K HN -0.242 nan 8.250 nan 0.000 0.410 1547 P HA -0.341 nan 4.420 nan 0.000 0.217 1547 P C 1.402 178.559 177.300 -0.239 0.000 1.162 1547 P CA 2.530 65.303 63.100 -0.545 0.000 0.901 1547 P CB -0.036 31.509 31.700 -0.259 0.000 0.793 1548 S N -1.680 113.887 115.700 -0.222 0.000 2.402 1548 S HA -0.212 4.258 4.470 0.000 0.000 0.233 1548 S C 1.840 176.322 174.600 -0.197 0.000 1.030 1548 S CA 2.224 60.345 58.200 -0.132 0.000 1.003 1548 S CB -2.136 60.987 63.200 -0.128 0.000 0.813 1548 S HN 0.171 nan 8.310 nan 0.000 0.477 1549 T N 1.221 115.508 114.554 -0.444 0.000 2.881 1549 T HA 0.074 4.424 4.350 0.000 0.000 0.270 1549 T C 0.535 174.875 174.700 -0.599 0.000 1.068 1549 T CA 1.048 62.766 62.100 -0.638 0.000 1.131 1549 T CB -0.479 67.775 68.868 -1.024 0.000 0.871 1549 T HN 0.629 nan 8.240 nan 0.000 0.479 1550 F N 0.407 120.386 119.950 0.048 0.000 2.850 1550 F HA 0.506 5.034 4.527 0.001 0.000 0.306 1550 F C 1.522 177.440 175.800 0.197 0.000 1.162 1550 F CA -0.728 57.359 58.000 0.145 0.000 1.327 1550 F CB -0.021 39.093 39.000 0.191 0.000 0.953 1550 F HN 0.155 nan 8.300 nan 0.000 0.507 1551 G N 0.360 109.356 108.800 0.327 0.000 2.160 1551 G HA2 0.095 4.056 3.960 0.000 0.000 0.251 1551 G HA3 0.095 4.056 3.960 0.000 0.000 0.251 1551 G C 0.604 175.701 174.900 0.330 0.000 1.008 1551 G CA 0.117 45.474 45.100 0.429 0.000 0.724 1551 G HN 1.274 nan 8.290 nan 0.000 0.514 1552 G N -1.533 107.392 108.800 0.209 0.000 2.483 1552 G HA2 0.201 4.161 3.960 0.000 0.000 0.521 1552 G HA3 0.201 4.161 3.960 0.000 0.000 0.521 1552 G C 0.274 175.259 174.900 0.142 0.000 1.278 1552 G CA 0.501 45.682 45.100 0.135 0.000 0.965 1552 G HN 0.484 nan 8.290 nan 0.000 0.504 1553 E N -0.641 119.623 120.200 0.106 0.000 2.274 1553 E HA 0.015 4.365 4.350 0.000 0.000 0.194 1553 E C 2.745 179.429 176.600 0.141 0.000 0.996 1553 E CA 1.188 57.676 56.400 0.148 0.000 0.840 1553 E CB -0.046 29.711 29.700 0.095 0.000 0.772 1553 E HN 0.396 nan 8.360 nan 0.000 0.491 1554 V N 0.239 120.210 119.914 0.095 0.000 2.379 1554 V HA -0.115 4.006 4.120 0.000 0.000 0.245 1554 V C 2.316 178.475 176.094 0.108 0.000 1.044 1554 V CA 1.879 64.219 62.300 0.066 0.000 1.036 1554 V CB -0.737 31.090 31.823 0.008 0.000 0.664 1554 V HN 0.295 nan 8.190 nan 0.000 0.453 1555 G N -0.995 107.909 108.800 0.173 0.000 2.402 1555 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 1555 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 1555 G C 1.541 176.581 174.900 0.233 0.000 1.162 1555 G CA 0.611 45.846 45.100 0.225 0.000 0.777 1555 G HN 0.384 nan 8.290 nan 0.000 0.539 1556 F N 1.861 121.846 119.950 0.057 0.000 2.126 1556 F HA -0.064 4.463 4.527 0.001 0.000 0.299 1556 F C 2.548 178.274 175.800 -0.123 0.000 1.096 1556 F CA 1.604 59.538 58.000 -0.111 0.000 1.255 1556 F CB -0.306 38.663 39.000 -0.052 0.000 0.997 1556 F HN 0.184 nan 8.300 nan 0.000 0.479 1557 K N 0.586 121.003 120.400 0.029 0.000 2.097 1557 K HA -0.148 4.172 4.320 0.000 0.000 0.206 1557 K C 2.112 178.686 176.600 -0.043 0.000 1.049 1557 K CA 1.680 57.938 56.287 -0.049 0.000 0.933 1557 K CB -0.462 32.042 32.500 0.007 0.000 0.717 1557 K HN 0.360 nan 8.250 nan 0.000 0.442 1558 I N 0.724 121.295 120.570 0.002 0.000 2.194 1558 I HA -0.335 3.835 4.170 0.000 0.000 0.246 1558 I C 2.166 178.291 176.117 0.014 0.000 1.093 1558 I CA 1.472 62.784 61.300 0.021 0.000 1.355 1558 I CB -0.361 37.673 38.000 0.057 0.000 1.046 1558 I HN 0.224 nan 8.210 nan 0.000 0.413 1559 I N 0.617 121.168 120.570 -0.032 0.000 2.163 1559 I HA -0.261 3.909 4.170 0.000 0.000 0.240 1559 I C 1.895 178.022 176.117 0.017 0.000 1.081 1559 I CA 1.336 62.634 61.300 -0.003 0.000 1.353 1559 I CB -0.619 37.307 38.000 -0.124 0.000 1.054 1559 I HN 0.287 nan 8.210 nan 0.000 0.407 1560 N N 0.651 119.273 118.700 -0.130 0.000 2.609 1560 N HA -0.096 4.644 4.740 0.000 0.000 0.190 1560 N C 1.394 176.890 175.510 -0.024 0.000 1.157 1560 N CA 1.601 54.590 53.050 -0.101 0.000 0.918 1560 N CB -0.119 38.192 38.487 -0.293 0.000 0.978 1560 N HN 0.528 nan 8.380 nan 0.000 0.448 1561 T N -3.831 110.719 114.554 -0.006 0.000 3.043 1561 T HA 0.435 4.785 4.350 0.000 0.000 0.272 1561 T C 0.655 175.371 174.700 0.027 0.000 0.990 1561 T CA -0.431 61.674 62.100 0.008 0.000 0.897 1561 T CB 0.341 69.206 68.868 -0.004 0.000 1.111 1561 T HN 0.090 nan 8.240 nan 0.000 0.529 1562 A N 2.044 124.895 122.820 0.052 0.000 2.520 1562 A HA 0.581 4.902 4.320 0.000 0.000 0.235 1562 A C 0.643 178.256 177.584 0.049 0.000 1.065 1562 A CA 0.144 52.219 52.037 0.062 0.000 0.764 1562 A CB -0.121 18.950 19.000 0.118 0.000 1.002 1562 A HN 1.188 nan 8.150 nan 0.000 0.502 1563 S N 0.866 116.574 115.700 0.015 0.000 2.550 1563 S HA 0.425 4.895 4.470 0.000 0.000 0.270 1563 S C 0.205 174.762 174.600 -0.071 0.000 1.145 1563 S CA -0.208 57.982 58.200 -0.017 0.000 0.852 1563 S CB 0.743 63.923 63.200 -0.033 0.000 1.119 1563 S HN 1.210 nan 8.310 nan 0.000 0.465 1564 I N 1.318 121.807 120.570 -0.135 0.000 2.756 1564 I HA 0.016 4.186 4.170 0.000 0.000 0.262 1564 I C 2.145 178.103 176.117 -0.265 0.000 1.225 1564 I CA 1.643 62.799 61.300 -0.239 0.000 1.472 1564 I CB -0.491 37.170 38.000 -0.565 0.000 1.094 1564 I HN 0.896 nan 8.210 nan 0.000 0.454 1565 Q N 0.448 120.110 119.800 -0.231 0.000 2.061 1565 Q HA -0.112 4.228 4.340 0.000 0.000 0.195 1565 Q C 2.379 178.288 176.000 -0.151 0.000 0.967 1565 Q CA 2.268 57.938 55.803 -0.222 0.000 0.829 1565 Q CB -0.575 28.054 28.738 -0.181 0.000 0.900 1565 Q HN 0.549 nan 8.270 nan 0.000 0.450 1566 S N -0.122 115.512 115.700 -0.109 0.000 2.474 1566 S HA -0.100 4.370 4.470 0.000 0.000 0.235 1566 S C 1.774 176.308 174.600 -0.110 0.000 0.997 1566 S CA 0.942 59.091 58.200 -0.084 0.000 0.949 1566 S CB -0.397 62.773 63.200 -0.051 0.000 0.766 1566 S HN 0.433 nan 8.310 nan 0.000 0.517 1567 L N 0.299 121.434 121.223 -0.147 0.000 2.156 1567 L HA 0.303 4.643 4.340 0.000 0.000 0.208 1567 L C 1.871 178.608 176.870 -0.222 0.000 1.095 1567 L CA 1.363 56.072 54.840 -0.218 0.000 0.770 1567 L CB -0.491 41.392 42.059 -0.294 0.000 0.914 1567 L HN 0.244 nan 8.230 nan 0.000 0.439 1568 I N -1.363 119.093 120.570 -0.190 0.000 2.400 1568 I HA -0.154 4.016 4.170 0.000 0.000 0.248 1568 I C 2.622 178.658 176.117 -0.135 0.000 1.109 1568 I CA 1.046 62.242 61.300 -0.173 0.000 1.425 1568 I CB -0.734 37.160 38.000 -0.177 0.000 1.094 1568 I HN 0.434 nan 8.210 nan 0.000 0.425 1569 c N 1.220 119.750 118.600 -0.116 0.000 2.413 1569 c HA -0.181 4.389 4.570 0.000 0.000 0.277 1569 c C 2.761 176.805 174.090 -0.078 0.000 1.228 1569 c CA 1.294 57.575 56.329 -0.081 0.000 1.731 1569 c CB -1.215 41.258 42.510 -0.063 0.000 2.042 1569 c HN 0.523 nan 8.230 nan 0.000 0.468 1570 N N 1.083 119.731 118.700 -0.085 0.000 2.309 1570 N HA -0.063 4.677 4.740 0.000 0.000 0.182 1570 N C 1.232 176.686 175.510 -0.092 0.000 1.018 1570 N CA 1.215 54.218 53.050 -0.078 0.000 0.876 1570 N CB -0.538 37.906 38.487 -0.072 0.000 0.972 1570 N HN 0.702 nan 8.380 nan 0.000 0.434 1571 N N -0.205 118.424 118.700 -0.118 0.000 2.332 1571 N HA 0.065 4.805 4.740 0.000 0.000 0.190 1571 N C -0.140 175.289 175.510 -0.135 0.000 1.117 1571 N CA 0.086 53.057 53.050 -0.132 0.000 0.883 1571 N CB 1.442 39.833 38.487 -0.159 0.000 1.089 1571 N HN -0.079 nan 8.380 nan 0.000 0.480 1572 V N 2.362 122.201 119.914 -0.124 0.000 2.439 1572 V HA 0.150 4.270 4.120 0.000 0.000 0.282 1572 V C 0.638 176.684 176.094 -0.080 0.000 1.039 1572 V CA -0.861 61.373 62.300 -0.111 0.000 0.913 1572 V CB 1.909 33.669 31.823 -0.106 0.000 0.983 1572 V HN 0.020 nan 8.190 nan 0.000 0.460 1573 K N 2.794 123.151 120.400 -0.071 0.000 2.484 1573 K HA 0.306 4.626 4.320 0.000 0.000 0.280 1573 K C 1.192 177.774 176.600 -0.030 0.000 1.013 1573 K CA 1.134 57.392 56.287 -0.048 0.000 1.029 1573 K CB 0.153 32.628 32.500 -0.040 0.000 0.902 1573 K HN 1.110 nan 8.250 nan 0.000 0.481 1574 G N 2.838 111.624 108.800 -0.023 0.000 2.176 1574 G HA2 -0.328 3.632 3.960 0.000 0.000 0.253 1574 G HA3 -0.328 3.632 3.960 0.000 0.000 0.253 1574 G C 0.330 175.224 174.900 -0.009 0.000 0.979 1574 G CA -0.138 44.956 45.100 -0.010 0.000 0.641 1574 G HN 1.125 nan 8.290 nan 0.000 0.530 1575 c N 0.947 119.533 118.600 -0.024 0.000 2.749 1575 c HA -0.039 4.532 4.570 0.000 0.000 0.241 1575 c C -0.538 173.550 174.090 -0.003 0.000 1.269 1575 c CA -0.077 56.236 56.329 -0.026 0.000 2.527 1575 c CB -1.577 40.922 42.510 -0.019 0.000 1.569 1575 c HN 0.711 nan 8.230 nan 0.000 0.405 1576 P HA 0.333 nan 4.420 nan 0.000 0.277 1576 P C -0.271 177.053 177.300 0.040 0.000 1.240 1576 P CA -0.284 62.833 63.100 0.029 0.000 0.798 1576 P CB 0.416 32.124 31.700 0.013 0.000 0.979 1577 F N 1.338 121.265 119.950 -0.037 0.000 2.429 1577 F HA 0.454 4.981 4.527 0.000 0.000 0.348 1577 F C 0.097 175.867 175.800 -0.049 0.000 1.109 1577 F CA 0.789 58.762 58.000 -0.044 0.000 1.232 1577 F CB 0.751 39.729 39.000 -0.036 0.000 1.157 1577 F HN 0.238 nan 8.300 nan 0.000 0.564 1578 T N 3.960 117.831 114.554 -1.138 0.000 2.883 1578 T HA 0.631 4.981 4.350 0.000 0.000 0.301 1578 T C -1.503 172.533 174.700 -1.106 0.000 1.158 1578 T CA -0.468 61.107 62.100 -0.874 0.000 1.007 1578 T CB 1.468 70.071 68.868 -0.442 0.000 1.186 1578 T HN 0.800 nan 8.240 nan 0.000 0.499 1579 S N 0.512 115.813 115.700 -0.666 0.000 2.595 1579 S HA 0.489 4.959 4.470 0.000 0.000 0.270 1579 S C -0.871 173.525 174.600 -0.340 0.000 1.145 1579 S CA -0.604 57.297 58.200 -0.498 0.000 0.825 1579 S CB 0.780 63.821 63.200 -0.264 0.000 1.107 1579 S HN 0.669 nan 8.310 nan 0.000 0.461 1580 F N 2.139 121.970 119.950 -0.199 0.000 2.731 1580 F HA 0.246 4.773 4.527 0.000 0.000 0.304 1580 F C 0.837 176.276 175.800 -0.602 0.000 1.133 1580 F CA -0.327 57.505 58.000 -0.280 0.000 1.380 1580 F CB 0.123 38.956 39.000 -0.279 0.000 1.079 1580 F HN 0.574 nan 8.300 nan 0.000 0.550 1581 N N -2.473 116.105 118.700 -0.203 0.000 2.308 1581 N HA 0.255 4.996 4.740 0.000 0.000 0.283 1581 N C -1.259 174.248 175.510 -0.005 0.000 1.105 1581 N CA -0.814 52.139 53.050 -0.161 0.000 0.840 1581 N CB 1.342 39.761 38.487 -0.115 0.000 1.633 1581 N HN -0.242 nan 8.380 nan 0.000 0.476 1582 V N 2.708 122.633 119.914 0.018 0.000 2.450 1582 V HA -0.049 4.071 4.120 0.000 0.000 0.264 1582 V C 1.066 177.194 176.094 0.057 0.000 0.996 1582 V CA -0.144 62.187 62.300 0.051 0.000 1.138 1582 V CB -1.283 30.564 31.823 0.040 0.000 1.051 1582 V HN 0.772 nan 8.190 nan 0.000 0.470 1583 Q N 0.000 119.857 119.800 0.096 0.000 2.315 1583 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 1583 Q CA 0.000 55.850 55.803 0.079 0.000 1.022 1583 Q CB 0.000 28.790 28.738 0.087 0.000 1.108 1583 Q HN 0.000 nan 8.270 nan 0.000 0.481