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 1ddx_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 0.000 177.632 177.584 0.080 0.000 1.274 1033 A CA 0.000 52.078 52.037 0.068 0.000 0.836 1033 A CB 0.000 19.057 19.000 0.095 0.000 0.831 1034 N N 2.598 121.334 118.700 0.061 0.000 2.418 1034 N HA 0.107 4.845 4.740 -0.003 0.000 0.277 1034 N C -1.407 174.118 175.510 0.025 0.000 1.317 1034 N CA -0.942 52.140 53.050 0.053 0.000 0.922 1034 N CB 1.036 39.544 38.487 0.033 0.000 1.194 1034 N HN 0.238 nan 8.380 nan 0.000 0.485 1035 P HA -0.073 nan 4.420 nan 0.000 0.229 1035 P C 0.666 177.890 177.300 -0.127 0.000 1.150 1035 P CA 0.716 63.821 63.100 0.007 0.000 0.765 1035 P CB 0.135 31.907 31.700 0.121 0.000 0.783 1036 c N -1.958 116.599 118.600 -0.072 0.000 2.674 1036 c HA 0.073 4.641 4.570 -0.003 0.000 0.276 1036 c C 2.854 176.865 174.090 -0.131 0.000 1.300 1036 c CA -0.130 56.123 56.329 -0.127 0.000 1.732 1036 c CB -1.729 40.772 42.510 -0.014 0.000 2.076 1036 c HN 0.324 nan 8.230 nan 0.000 0.548 1037 c N 1.959 120.508 118.600 -0.085 0.000 2.381 1037 c HA -0.210 4.358 4.570 -0.003 0.000 0.273 1037 c C 2.736 176.773 174.090 -0.088 0.000 1.160 1037 c CA 2.369 58.657 56.329 -0.068 0.000 1.817 1037 c CB -1.467 41.017 42.510 -0.042 0.000 2.123 1037 c HN 0.796 nan 8.230 nan 0.000 0.464 1038 S N 0.251 115.876 115.700 -0.124 0.000 2.723 1038 S HA -0.035 4.433 4.470 -0.003 0.000 0.231 1038 S C 0.446 174.967 174.600 -0.132 0.000 0.967 1038 S CA 0.563 58.689 58.200 -0.124 0.000 0.958 1038 S CB -1.046 62.066 63.200 -0.147 0.000 0.778 1038 S HN 0.778 nan 8.310 nan 0.000 0.537 1039 N N 1.487 120.108 118.700 -0.132 0.000 2.708 1039 N HA -0.127 4.611 4.740 -0.003 0.000 0.251 1039 N C -1.821 173.620 175.510 -0.115 0.000 1.017 1039 N CA 0.720 53.698 53.050 -0.119 0.000 0.742 1039 N CB -1.034 37.389 38.487 -0.108 0.000 0.943 1039 N HN 0.490 nan 8.380 nan 0.000 0.539 1040 P HA -0.117 nan 4.420 nan 0.000 0.215 1040 P C 0.525 177.823 177.300 -0.004 0.000 1.157 1040 P CA 1.017 64.045 63.100 -0.119 0.000 0.874 1040 P CB -0.120 31.382 31.700 -0.331 0.000 0.790 1041 c N 2.801 121.429 118.600 0.046 0.000 2.638 1041 c HA 0.145 4.713 4.570 -0.003 0.000 0.410 1041 c C 0.990 175.068 174.090 -0.019 0.000 1.404 1041 c CA -0.399 55.967 56.329 0.061 0.000 1.651 1041 c CB -1.340 41.226 42.510 0.094 0.000 2.495 1041 c HN 0.300 nan 8.230 nan 0.000 0.606 1042 Q N 1.952 121.719 119.800 -0.054 0.000 2.195 1042 Q HA 0.308 4.646 4.340 -0.003 0.000 0.250 1042 Q C 0.246 176.142 176.000 -0.173 0.000 0.988 1042 Q CA -0.463 55.260 55.803 -0.134 0.000 0.911 1042 Q CB 0.481 29.102 28.738 -0.195 0.000 1.258 1042 Q HN 0.788 nan 8.270 nan 0.000 0.475 1043 N N 1.755 120.317 118.700 -0.231 0.000 2.696 1043 N HA -0.220 4.518 4.740 -0.003 0.000 0.256 1043 N C -0.525 174.964 175.510 -0.034 0.000 1.031 1043 N CA 0.453 53.384 53.050 -0.198 0.000 0.730 1043 N CB -0.390 37.807 38.487 -0.483 0.000 0.894 1043 N HN 0.631 nan 8.380 nan 0.000 0.544 1044 R N -3.774 116.703 120.500 -0.038 0.000 4.000 1044 R HA -0.166 4.173 4.340 -0.003 0.000 0.362 1044 R C 1.057 177.378 176.300 0.036 0.000 1.183 1044 R CA 1.347 57.445 56.100 -0.002 0.000 1.011 1044 R CB -2.307 28.002 30.300 0.015 0.000 1.501 1044 R HN 0.600 nan 8.270 nan 0.000 0.553 1045 G N 0.696 109.514 108.800 0.029 0.000 2.664 1045 G HA2 0.215 4.174 3.960 -0.003 0.000 0.242 1045 G HA3 0.215 4.174 3.960 -0.003 0.000 0.242 1045 G C -0.408 174.532 174.900 0.066 0.000 1.225 1045 G CA -0.257 44.879 45.100 0.060 0.000 0.849 1045 G HN 0.198 nan 8.290 nan 0.000 0.581 1046 E N -1.153 119.100 120.200 0.089 0.000 2.176 1046 E HA 0.366 4.714 4.350 -0.003 0.000 0.267 1046 E C -0.804 175.865 176.600 0.115 0.000 0.893 1046 E CA -0.658 55.806 56.400 0.106 0.000 0.761 1046 E CB 1.622 31.401 29.700 0.133 0.000 1.133 1046 E HN 0.494 nan 8.360 nan 0.000 0.409 1047 c N 5.411 124.082 118.600 0.117 0.000 2.388 1047 c HA 0.707 5.275 4.570 -0.003 0.000 0.362 1047 c C -0.413 173.773 174.090 0.160 0.000 1.266 1047 c CA -0.440 55.990 56.329 0.168 0.000 2.028 1047 c CB -0.704 41.891 42.510 0.141 0.000 2.440 1047 c HN 0.872 nan 8.230 nan 0.000 0.547 1048 M N 5.497 125.200 119.600 0.171 0.000 2.326 1048 M HA 0.434 4.912 4.480 -0.003 0.000 0.292 1048 M C -0.090 176.291 176.300 0.136 0.000 1.081 1048 M CA -0.037 55.344 55.300 0.134 0.000 0.919 1048 M CB 1.912 34.567 32.600 0.092 0.000 1.634 1048 M HN 0.619 nan 8.290 nan 0.000 0.451 1049 S N 2.291 118.062 115.700 0.118 0.000 2.686 1049 S HA 0.129 4.597 4.470 -0.003 0.000 0.324 1049 S C 0.723 175.352 174.600 0.048 0.000 1.172 1049 S CA -0.110 58.150 58.200 0.099 0.000 1.127 1049 S CB -1.101 62.139 63.200 0.067 0.000 1.338 1049 S HN 0.776 nan 8.310 nan 0.000 0.547 1050 T N 0.144 114.729 114.554 0.052 0.000 3.624 1050 T HA 0.530 4.878 4.350 -0.003 0.000 0.231 1050 T C 0.772 175.478 174.700 0.011 0.000 0.865 1050 T CA -0.037 62.071 62.100 0.012 0.000 0.926 1050 T CB -1.131 67.732 68.868 -0.008 0.000 1.189 1050 T HN 1.326 nan 8.240 nan 0.000 0.640 1051 G N 0.147 108.939 108.800 -0.014 0.000 2.362 1051 G HA2 0.072 4.030 3.960 -0.003 0.000 0.656 1051 G HA3 0.072 4.030 3.960 -0.003 0.000 0.656 1051 G C -0.139 174.770 174.900 0.015 0.000 1.376 1051 G CA -0.702 44.384 45.100 -0.024 0.000 0.971 1051 G HN 0.126 nan 8.290 nan 0.000 0.636 1052 F N 0.100 120.081 119.950 0.052 0.000 2.063 1052 F HA -0.087 4.438 4.527 -0.003 0.000 0.298 1052 F C 1.926 177.760 175.800 0.056 0.000 1.105 1052 F CA 2.201 60.232 58.000 0.051 0.000 1.215 1052 F CB 0.245 39.269 39.000 0.041 0.000 0.972 1052 F HN 0.342 nan 8.300 nan 0.000 0.483 1053 D N 0.044 120.602 120.400 0.263 0.000 2.891 1053 D HA 0.149 4.787 4.640 -0.003 0.000 0.312 1053 D C -0.446 175.951 176.300 0.161 0.000 1.354 1053 D CA 0.169 54.275 54.000 0.176 0.000 0.838 1053 D CB 0.204 41.084 40.800 0.135 0.000 1.117 1053 D HN 0.369 nan 8.370 nan 0.000 0.473 1054 Q N 0.100 120.006 119.800 0.176 0.000 2.482 1054 Q HA 0.470 4.808 4.340 -0.003 0.000 0.286 1054 Q C -1.010 175.143 176.000 0.256 0.000 1.007 1054 Q CA -1.107 54.816 55.803 0.202 0.000 0.801 1054 Q CB 2.256 31.063 28.738 0.114 0.000 1.455 1054 Q HN 0.201 nan 8.270 nan 0.000 0.398 1055 Y N -1.095 119.225 120.300 0.034 0.000 2.818 1055 Y HA 0.881 5.430 4.550 -0.003 0.000 0.322 1055 Y C -1.587 174.330 175.900 0.029 0.000 1.323 1055 Y CA -1.143 56.975 58.100 0.030 0.000 1.090 1055 Y CB 1.944 40.421 38.460 0.028 0.000 1.328 1055 Y HN 0.729 nan 8.280 nan 0.000 0.482 1056 K N 0.281 120.561 120.400 -0.200 0.000 2.557 1056 K HA 0.626 4.944 4.320 -0.003 0.000 0.261 1056 K C -2.449 174.123 176.600 -0.046 0.000 0.932 1056 K CA -0.227 55.898 56.287 -0.269 0.000 0.829 1056 K CB 1.930 34.359 32.500 -0.118 0.000 1.358 1056 K HN 0.953 nan 8.250 nan 0.000 0.430 1057 c N 2.618 121.184 118.600 -0.057 0.000 2.303 1057 c HA 0.435 5.003 4.570 -0.003 0.000 0.326 1057 c C -0.616 173.505 174.090 0.051 0.000 1.285 1057 c CA -0.752 55.610 56.329 0.056 0.000 1.675 1057 c CB 0.669 43.230 42.510 0.085 0.000 2.289 1057 c HN 0.766 nan 8.230 nan 0.000 0.512 1058 D N 2.434 122.877 120.400 0.072 0.000 2.563 1058 D HA 0.139 4.777 4.640 -0.003 0.000 0.222 1058 D C -0.135 176.216 176.300 0.086 0.000 1.145 1058 D CA -0.067 53.974 54.000 0.070 0.000 1.001 1058 D CB 0.417 41.260 40.800 0.072 0.000 1.049 1058 D HN 0.686 nan 8.370 nan 0.000 0.515 1059 c N 2.858 121.517 118.600 0.099 0.000 3.424 1059 c HA 0.197 4.765 4.570 -0.003 0.000 0.577 1059 c C 0.887 175.052 174.090 0.126 0.000 1.086 1059 c CA -0.704 55.706 56.329 0.135 0.000 1.153 1059 c CB -1.891 40.725 42.510 0.177 0.000 1.411 1059 c HN 0.288 nan 8.230 nan 0.000 0.636 1060 T N 1.348 115.962 114.554 0.100 0.000 2.744 1060 T HA 0.359 4.708 4.350 -0.003 0.000 0.291 1060 T C 0.889 175.639 174.700 0.083 0.000 0.957 1060 T CA -0.324 61.823 62.100 0.079 0.000 1.002 1060 T CB 0.578 69.480 68.868 0.057 0.000 0.919 1060 T HN 0.671 nan 8.240 nan 0.000 0.468 1061 R N 0.338 120.883 120.500 0.075 0.000 4.000 1061 R HA -0.238 4.101 4.340 -0.003 0.000 0.348 1061 R C 1.804 178.163 176.300 0.098 0.000 1.204 1061 R CA 1.364 57.505 56.100 0.069 0.000 0.987 1061 R CB -2.179 28.156 30.300 0.058 0.000 1.446 1061 R HN 0.902 nan 8.270 nan 0.000 0.555 1062 T N -4.781 109.856 114.554 0.139 0.000 2.770 1062 T HA 0.139 4.487 4.350 -0.003 0.000 0.263 1062 T C 1.568 176.404 174.700 0.226 0.000 1.039 1062 T CA 1.290 63.528 62.100 0.229 0.000 1.142 1062 T CB 0.200 69.246 68.868 0.297 0.000 0.868 1062 T HN 0.715 nan 8.240 nan 0.000 0.435 1063 G N 0.655 109.502 108.800 0.078 0.000 2.175 1063 G HA2 0.001 3.960 3.960 -0.003 0.000 0.182 1063 G HA3 0.001 3.960 3.960 -0.003 0.000 0.182 1063 G C -0.202 174.295 174.900 -0.672 0.000 1.003 1063 G CA -0.359 44.560 45.100 -0.301 0.000 0.666 1063 G HN 0.564 nan 8.290 nan 0.000 0.506 1064 F N 0.103 120.117 119.950 0.107 0.000 2.591 1064 F HA 0.702 5.228 4.527 -0.003 0.000 0.309 1064 F C 0.562 176.453 175.800 0.151 0.000 1.098 1064 F CA -1.483 56.550 58.000 0.055 0.000 0.937 1064 F CB 0.870 39.854 39.000 -0.028 0.000 1.250 1064 F HN 0.150 nan 8.300 nan 0.000 0.447 1065 Y N 0.234 120.647 120.300 0.189 0.000 3.045 1065 Y HA 0.890 5.438 4.550 -0.003 0.000 0.391 1065 Y C 0.967 176.936 175.900 0.115 0.000 1.234 1065 Y CA -1.345 56.825 58.100 0.118 0.000 1.281 1065 Y CB -0.356 38.147 38.460 0.071 0.000 1.401 1065 Y HN 0.892 nan 8.280 nan 0.000 0.837 1066 G N 0.377 109.326 108.800 0.249 0.000 2.750 1066 G HA2 -0.292 3.667 3.960 -0.003 0.000 0.686 1066 G HA3 -0.292 3.667 3.960 -0.003 0.000 0.686 1066 G C 0.302 175.253 174.900 0.085 0.000 1.395 1066 G CA 0.208 45.373 45.100 0.108 0.000 0.918 1066 G HN 1.048 nan 8.290 nan 0.000 0.594 1067 E N 0.543 120.775 120.200 0.055 0.000 2.233 1067 E HA -0.232 4.116 4.350 -0.003 0.000 0.199 1067 E C 1.504 178.130 176.600 0.044 0.000 1.004 1067 E CA 1.718 58.127 56.400 0.015 0.000 0.819 1067 E CB -0.066 29.635 29.700 0.001 0.000 0.738 1067 E HN 0.469 nan 8.360 nan 0.000 0.478 1068 N N -0.792 117.949 118.700 0.068 0.000 2.187 1068 N HA 0.080 4.818 4.740 -0.003 0.000 0.212 1068 N C -0.509 175.022 175.510 0.035 0.000 1.152 1068 N CA 0.622 53.722 53.050 0.083 0.000 0.872 1068 N CB 0.547 39.076 38.487 0.070 0.000 1.025 1068 N HN 0.167 nan 8.380 nan 0.000 0.514 1069 c N 0.530 119.162 118.600 0.052 0.000 4.529 1069 c HA -0.128 4.441 4.570 -0.003 0.000 0.296 1069 c C 1.888 175.959 174.090 -0.032 0.000 1.353 1069 c CA 0.930 57.302 56.329 0.072 0.000 2.011 1069 c CB -2.905 39.637 42.510 0.053 0.000 1.235 1069 c HN 0.559 nan 8.230 nan 0.000 0.784 1070 T N -3.084 111.455 114.554 -0.026 0.000 3.053 1070 T HA 0.083 4.431 4.350 -0.003 0.000 0.236 1070 T C 0.679 175.419 174.700 0.066 0.000 0.996 1070 T CA 1.021 63.072 62.100 -0.083 0.000 1.185 1070 T CB -0.390 68.436 68.868 -0.069 0.000 0.892 1070 T HN 0.520 nan 8.240 nan 0.000 0.432 1071 T N 5.428 119.919 114.554 -0.105 0.000 2.822 1071 T HA 0.220 4.568 4.350 -0.003 0.000 0.288 1071 T C -2.322 172.146 174.700 -0.387 0.000 0.991 1071 T CA -0.653 61.232 62.100 -0.357 0.000 1.176 1071 T CB 0.281 68.665 68.868 -0.806 0.000 0.951 1071 T HN 0.345 nan 8.240 nan 0.000 0.526 1072 P HA 0.408 nan 4.420 nan 0.000 0.280 1072 P C -0.267 176.975 177.300 -0.096 0.000 1.272 1072 P CA -0.774 62.173 63.100 -0.255 0.000 0.819 1072 P CB 1.315 32.902 31.700 -0.188 0.000 1.122 1073 E N -0.706 119.461 120.200 -0.054 0.000 2.267 1073 E HA 0.219 4.568 4.350 -0.003 0.000 0.258 1073 E C 0.630 177.291 176.600 0.102 0.000 1.074 1073 E CA -0.629 55.873 56.400 0.171 0.000 0.915 1073 E CB 0.393 30.162 29.700 0.115 0.000 1.186 1073 E HN 0.270 nan 8.360 nan 0.000 0.439 1074 F N 1.047 121.003 119.950 0.009 0.000 1.997 1074 F HA -0.236 4.289 4.527 -0.003 0.000 0.296 1074 F C 2.066 177.844 175.800 -0.036 0.000 1.160 1074 F CA 1.472 59.466 58.000 -0.009 0.000 1.176 1074 F CB -0.445 38.554 39.000 -0.001 0.000 0.964 1074 F HN 0.424 nan 8.300 nan 0.000 0.484 1075 L N 0.333 121.608 121.223 0.086 0.000 2.151 1075 L HA -0.266 4.072 4.340 -0.003 0.000 0.215 1075 L C 2.144 178.940 176.870 -0.124 0.000 1.084 1075 L CA 2.543 57.363 54.840 -0.034 0.000 0.764 1075 L CB -1.504 40.563 42.059 0.013 0.000 0.891 1075 L HN 0.335 nan 8.230 nan 0.000 0.435 1076 T N 0.164 114.630 114.554 -0.146 0.000 2.622 1076 T HA -0.219 4.129 4.350 -0.003 0.000 0.266 1076 T C 1.840 176.426 174.700 -0.190 0.000 1.047 1076 T CA 1.844 63.811 62.100 -0.221 0.000 1.159 1076 T CB -0.322 68.297 68.868 -0.415 0.000 0.863 1076 T HN 0.455 nan 8.240 nan 0.000 0.422 1077 R N 1.217 121.586 120.500 -0.219 0.000 2.132 1077 R HA -0.104 4.234 4.340 -0.003 0.000 0.233 1077 R C 2.459 178.626 176.300 -0.221 0.000 1.125 1077 R CA 1.659 57.629 56.100 -0.217 0.000 0.914 1077 R CB -1.151 28.960 30.300 -0.315 0.000 0.845 1077 R HN 0.371 nan 8.270 nan 0.000 0.431 1078 I N 1.487 121.863 120.570 -0.324 0.000 2.399 1078 I HA -0.234 3.934 4.170 -0.003 0.000 0.254 1078 I C 2.120 178.156 176.117 -0.134 0.000 1.146 1078 I CA 1.434 62.592 61.300 -0.238 0.000 1.412 1078 I CB -1.082 36.769 38.000 -0.248 0.000 1.076 1078 I HN 0.220 nan 8.210 nan 0.000 0.432 1079 K N 0.823 121.150 120.400 -0.122 0.000 2.097 1079 K HA -0.021 4.297 4.320 -0.003 0.000 0.205 1079 K C 2.268 178.837 176.600 -0.051 0.000 1.050 1079 K CA 1.000 57.240 56.287 -0.079 0.000 0.938 1079 K CB -0.042 32.409 32.500 -0.082 0.000 0.718 1079 K HN 0.338 nan 8.250 nan 0.000 0.442 1080 L N 0.736 121.931 121.223 -0.047 0.000 2.131 1080 L HA -0.052 4.286 4.340 -0.003 0.000 0.206 1080 L C 1.500 178.359 176.870 -0.018 0.000 1.087 1080 L CA 0.582 55.417 54.840 -0.008 0.000 0.767 1080 L CB -0.267 41.803 42.059 0.017 0.000 0.917 1080 L HN 0.111 nan 8.230 nan 0.000 0.441 1081 L N 0.921 122.115 121.223 -0.048 0.000 2.855 1081 L HA 0.075 4.414 4.340 -0.003 0.000 0.245 1081 L C 0.601 177.447 176.870 -0.041 0.000 1.276 1081 L CA 0.306 55.118 54.840 -0.046 0.000 1.118 1081 L CB -0.255 41.761 42.059 -0.071 0.000 1.444 1081 L HN 0.343 nan 8.230 nan 0.000 0.440 1082 L N -0.671 120.534 121.223 -0.030 0.000 4.070 1082 L HA 0.164 4.502 4.340 -0.003 0.000 0.398 1082 L C 0.255 177.121 176.870 -0.008 0.000 1.215 1082 L CA 0.036 54.862 54.840 -0.025 0.000 1.332 1082 L CB 0.619 42.658 42.059 -0.034 0.000 1.499 1082 L HN 0.088 nan 8.230 nan 0.000 0.613 1083 K N 3.395 123.798 120.400 0.005 0.000 2.354 1083 K HA 0.393 4.711 4.320 -0.003 0.000 0.257 1083 K C -2.310 174.313 176.600 0.038 0.000 1.062 1083 K CA -1.392 54.913 56.287 0.030 0.000 0.971 1083 K CB 1.217 33.742 32.500 0.041 0.000 1.305 1083 K HN -0.129 nan 8.250 nan 0.000 0.449 1084 P HA 0.004 nan 4.420 nan 0.000 0.276 1084 P C -0.172 177.170 177.300 0.070 0.000 1.230 1084 P CA -0.219 62.908 63.100 0.044 0.000 0.776 1084 P CB 0.848 32.569 31.700 0.036 0.000 0.888 1085 T N 1.867 116.459 114.554 0.064 0.000 2.946 1085 T HA 0.049 4.397 4.350 -0.003 0.000 0.311 1085 T C -1.215 173.554 174.700 0.115 0.000 1.063 1085 T CA -0.975 61.174 62.100 0.082 0.000 1.139 1085 T CB -0.068 68.842 68.868 0.069 0.000 0.994 1085 T HN 0.276 nan 8.240 nan 0.000 0.547 1086 P HA -0.145 nan 4.420 nan 0.000 0.216 1086 P C 1.192 178.624 177.300 0.220 0.000 1.150 1086 P CA 1.272 64.473 63.100 0.168 0.000 0.843 1086 P CB 0.008 31.801 31.700 0.155 0.000 0.787 1087 N N -0.652 118.167 118.700 0.197 0.000 2.084 1087 N HA -0.102 4.636 4.740 -0.003 0.000 0.190 1087 N C 1.858 177.503 175.510 0.224 0.000 1.030 1087 N CA 1.622 54.803 53.050 0.217 0.000 0.849 1087 N CB -1.489 37.088 38.487 0.150 0.000 1.012 1087 N HN 0.165 nan 8.380 nan 0.000 0.423 1088 T N 1.739 116.386 114.554 0.155 0.000 2.580 1088 T HA -0.125 4.223 4.350 -0.003 0.000 0.265 1088 T C 2.179 177.015 174.700 0.228 0.000 1.063 1088 T CA 2.031 64.207 62.100 0.126 0.000 1.170 1088 T CB -0.650 68.255 68.868 0.061 0.000 0.863 1088 T HN 0.020 nan 8.240 nan 0.000 0.418 1089 V N 1.756 121.787 119.914 0.195 0.000 2.219 1089 V HA -0.281 3.838 4.120 -0.003 0.000 0.248 1089 V C 2.369 178.610 176.094 0.245 0.000 1.053 1089 V CA 2.369 64.782 62.300 0.188 0.000 1.009 1089 V CB -1.218 30.698 31.823 0.155 0.000 0.636 1089 V HN 0.542 nan 8.190 nan 0.000 0.445 1090 H N -0.166 118.984 119.070 0.132 0.000 2.325 1090 H HA -0.305 4.249 4.556 -0.003 0.000 0.293 1090 H C 2.153 177.599 175.328 0.196 0.000 1.106 1090 H CA 2.659 58.782 56.048 0.126 0.000 1.247 1090 H CB -0.788 29.108 29.762 0.223 0.000 1.359 1090 H HN 0.599 nan 8.280 nan 0.000 0.488 1091 Y N 1.539 121.999 120.300 0.266 0.000 2.036 1091 Y HA -0.253 4.295 4.550 -0.003 0.000 0.273 1091 Y C 2.866 179.073 175.900 0.511 0.000 1.135 1091 Y CA 2.832 61.111 58.100 0.299 0.000 1.106 1091 Y CB -0.570 37.970 38.460 0.133 0.000 0.976 1091 Y HN 0.217 nan 8.280 nan 0.000 0.483 1092 I N -0.487 120.493 120.570 0.684 0.000 2.381 1092 I HA -0.304 3.865 4.170 -0.003 0.000 0.255 1092 I C 2.066 178.557 176.117 0.624 0.000 1.140 1092 I CA 1.170 62.801 61.300 0.552 0.000 1.404 1092 I CB -1.291 36.840 38.000 0.217 0.000 1.075 1092 I HN 0.350 nan 8.210 nan 0.000 0.433 1093 L N 1.429 122.878 121.223 0.376 0.000 2.156 1093 L HA -0.074 4.264 4.340 -0.003 0.000 0.208 1093 L C 2.496 179.428 176.870 0.103 0.000 1.095 1093 L CA 2.264 57.125 54.840 0.035 0.000 0.770 1093 L CB -1.480 40.060 42.059 -0.865 0.000 0.914 1093 L HN 0.470 nan 8.230 nan 0.000 0.439 1094 T N -4.847 109.850 114.554 0.239 0.000 3.122 1094 T HA 0.161 4.509 4.350 -0.003 0.000 0.250 1094 T C 0.617 175.310 174.700 -0.011 0.000 1.067 1094 T CA -0.107 62.011 62.100 0.031 0.000 0.966 1094 T CB 0.001 68.850 68.868 -0.031 0.000 1.002 1094 T HN 0.230 nan 8.240 nan 0.000 0.542 1095 H N -0.728 118.630 119.070 0.479 0.000 3.605 1095 H HA 0.558 5.112 4.556 -0.003 0.000 0.307 1095 H C -0.150 175.577 175.328 0.666 0.000 1.692 1095 H CA -1.611 54.669 56.048 0.387 0.000 1.453 1095 H CB 0.099 29.793 29.762 -0.114 0.000 1.511 1095 H HN -0.023 nan 8.280 nan 0.000 0.809 1096 F N -0.182 119.909 119.950 0.235 0.000 3.100 1096 F HA -0.327 4.199 4.527 -0.003 0.000 0.274 1096 F C 1.918 177.709 175.800 -0.014 0.000 0.910 1096 F CA 1.022 59.040 58.000 0.030 0.000 0.932 1096 F CB -1.523 37.395 39.000 -0.137 0.000 1.007 1096 F HN 0.516 nan 8.300 nan 0.000 0.609 1097 K N 0.891 121.353 120.400 0.103 0.000 2.169 1097 K HA -0.301 4.017 4.320 -0.003 0.000 0.213 1097 K C 2.320 178.903 176.600 -0.028 0.000 1.050 1097 K CA 2.086 58.225 56.287 -0.246 0.000 0.935 1097 K CB -0.833 31.202 32.500 -0.775 0.000 0.722 1097 K HN 0.539 nan 8.250 nan 0.000 0.468 1098 G N 0.462 109.255 108.800 -0.012 0.000 2.459 1098 G HA2 -0.272 3.687 3.960 -0.003 0.000 0.217 1098 G HA3 -0.272 3.687 3.960 -0.003 0.000 0.217 1098 G C 1.519 176.438 174.900 0.032 0.000 1.183 1098 G CA 0.979 46.085 45.100 0.009 0.000 0.776 1098 G HN 0.252 nan 8.290 nan 0.000 0.552 1099 V N -0.171 119.749 119.914 0.010 0.000 2.255 1099 V HA -0.190 3.929 4.120 -0.003 0.000 0.247 1099 V C 2.488 178.574 176.094 -0.013 0.000 1.051 1099 V CA 2.086 64.346 62.300 -0.067 0.000 1.018 1099 V CB -0.536 31.167 31.823 -0.200 0.000 0.641 1099 V HN 0.642 nan 8.190 nan 0.000 0.445 1100 W N -0.159 121.198 121.300 0.095 0.000 2.331 1100 W HA -0.264 4.395 4.660 -0.003 0.000 0.291 1100 W C 2.457 179.023 176.519 0.080 0.000 1.214 1100 W CA 1.380 58.800 57.345 0.125 0.000 1.228 1100 W CB -0.395 29.181 29.460 0.193 0.000 1.135 1100 W HN 0.317 nan 8.180 nan 0.000 0.537 1101 N N 0.443 119.297 118.700 0.257 0.000 2.188 1101 N HA -0.154 4.585 4.740 -0.003 0.000 0.184 1101 N C 1.361 176.935 175.510 0.106 0.000 1.018 1101 N CA 1.506 54.643 53.050 0.145 0.000 0.858 1101 N CB -0.328 38.206 38.487 0.079 0.000 0.989 1101 N HN 0.038 nan 8.380 nan 0.000 0.426 1102 I N -0.794 119.827 120.570 0.086 0.000 2.113 1102 I HA -0.242 3.926 4.170 -0.003 0.000 0.238 1102 I C 2.145 178.291 176.117 0.048 0.000 1.070 1102 I CA 0.813 62.140 61.300 0.044 0.000 1.332 1102 I CB -0.460 37.547 38.000 0.012 0.000 1.044 1102 I HN -0.007 nan 8.210 nan 0.000 0.402 1103 V N 0.825 120.797 119.914 0.098 0.000 2.343 1103 V HA -0.262 3.856 4.120 -0.003 0.000 0.247 1103 V C 1.198 177.364 176.094 0.121 0.000 1.051 1103 V CA 1.698 64.070 62.300 0.120 0.000 1.036 1103 V CB -0.779 31.209 31.823 0.276 0.000 0.654 1103 V HN 0.442 nan 8.190 nan 0.000 0.451 1104 N N 1.336 120.131 118.700 0.159 0.000 2.738 1104 N HA -0.028 4.710 4.740 -0.003 0.000 0.220 1104 N C 0.006 175.521 175.510 0.008 0.000 1.546 1104 N CA 0.286 53.368 53.050 0.053 0.000 0.924 1104 N CB -0.833 37.687 38.487 0.056 0.000 1.271 1104 N HN 0.240 nan 8.380 nan 0.000 0.504 1105 I N -0.795 119.712 120.570 -0.104 0.000 7.627 1105 I HA -0.260 3.909 4.170 -0.003 0.000 0.126 1105 I C -1.197 174.709 176.117 -0.352 0.000 1.803 1105 I CA -0.308 60.819 61.300 -0.289 0.000 2.130 1105 I CB -1.045 36.695 38.000 -0.434 0.000 3.611 1105 I HN 0.128 nan 8.210 nan 0.000 0.197 1106 P HA -0.297 nan 4.420 nan 0.000 0.216 1106 P C 1.799 179.140 177.300 0.068 0.000 1.062 1106 P CA 2.803 65.924 63.100 0.035 0.000 0.995 1106 P CB -0.197 31.607 31.700 0.173 0.000 0.762 1107 F N -1.854 118.148 119.950 0.087 0.000 2.087 1107 F HA -0.199 4.326 4.527 -0.003 0.000 0.299 1107 F C 2.439 178.307 175.800 0.114 0.000 1.100 1107 F CA 0.989 59.044 58.000 0.092 0.000 1.226 1107 F CB -1.874 37.171 39.000 0.075 0.000 0.983 1107 F HN -0.150 nan 8.300 nan 0.000 0.479 1108 L N 0.311 121.354 121.223 -0.302 0.000 1.955 1108 L HA -0.244 4.095 4.340 -0.003 0.000 0.213 1108 L C 2.971 179.906 176.870 0.108 0.000 1.072 1108 L CA 2.006 56.785 54.840 -0.103 0.000 0.755 1108 L CB -0.657 41.256 42.059 -0.243 0.000 0.888 1108 L HN 0.182 nan 8.230 nan 0.000 0.432 1109 R N -0.070 120.502 120.500 0.119 0.000 2.143 1109 R HA -0.241 4.097 4.340 -0.003 0.000 0.239 1109 R C 2.352 178.880 176.300 0.380 0.000 1.126 1109 R CA 2.586 58.876 56.100 0.316 0.000 0.927 1109 R CB -0.413 29.956 30.300 0.115 0.000 0.860 1109 R HN 0.301 nan 8.270 nan 0.000 0.433 1110 S N 1.345 117.184 115.700 0.231 0.000 2.359 1110 S HA -0.235 4.234 4.470 -0.003 0.000 0.222 1110 S C 1.941 176.665 174.600 0.208 0.000 1.038 1110 S CA 1.529 59.855 58.200 0.210 0.000 1.051 1110 S CB -0.757 62.541 63.200 0.164 0.000 0.944 1110 S HN 0.518 nan 8.310 nan 0.000 0.433 1111 L N 1.545 122.885 121.223 0.195 0.000 2.103 1111 L HA -0.191 4.147 4.340 -0.003 0.000 0.215 1111 L C 1.833 178.806 176.870 0.172 0.000 1.080 1111 L CA 1.824 56.768 54.840 0.174 0.000 0.764 1111 L CB -0.539 41.623 42.059 0.172 0.000 0.890 1111 L HN 0.214 nan 8.230 nan 0.000 0.435 1112 I N -0.889 119.788 120.570 0.178 0.000 2.185 1112 I HA -0.201 3.967 4.170 -0.003 0.000 0.235 1112 I C 2.535 178.681 176.117 0.050 0.000 1.069 1112 I CA 1.758 63.104 61.300 0.077 0.000 1.354 1112 I CB -1.190 36.758 38.000 -0.086 0.000 1.093 1112 I HN 0.442 nan 8.210 nan 0.000 0.411 1113 M N 1.700 121.392 119.600 0.152 0.000 2.128 1113 M HA -0.306 4.172 4.480 -0.003 0.000 0.253 1113 M C 2.238 178.604 176.300 0.111 0.000 1.079 1113 M CA 2.213 57.667 55.300 0.257 0.000 1.082 1113 M CB -0.623 32.261 32.600 0.474 0.000 1.335 1113 M HN 0.238 nan 8.290 nan 0.000 0.401 1114 K N -1.271 119.197 120.400 0.113 0.000 1.985 1114 K HA -0.267 4.051 4.320 -0.003 0.000 0.210 1114 K C 2.112 178.719 176.600 0.011 0.000 1.047 1114 K CA 2.014 58.333 56.287 0.054 0.000 0.932 1114 K CB -1.036 31.514 32.500 0.084 0.000 0.716 1114 K HN 0.507 nan 8.250 nan 0.000 0.439 1115 Y N 1.726 122.026 120.300 -0.000 0.000 2.096 1115 Y HA -0.322 4.226 4.550 -0.003 0.000 0.278 1115 Y C 2.046 177.937 175.900 -0.015 0.000 1.192 1115 Y CA 2.244 60.337 58.100 -0.011 0.000 1.143 1115 Y CB -0.872 37.571 38.460 -0.029 0.000 0.963 1115 Y HN 0.060 nan 8.280 nan 0.000 0.505 1116 V N 0.022 119.677 119.914 -0.432 0.000 2.295 1116 V HA -0.237 3.882 4.120 -0.003 0.000 0.246 1116 V C 2.219 178.135 176.094 -0.296 0.000 1.049 1116 V CA 2.042 64.078 62.300 -0.440 0.000 1.024 1116 V CB -0.967 30.798 31.823 -0.095 0.000 0.648 1116 V HN 0.469 nan 8.190 nan 0.000 0.447 1117 L N 1.813 122.935 121.223 -0.168 0.000 1.956 1117 L HA -0.161 4.178 4.340 -0.003 0.000 0.216 1117 L C 3.072 179.851 176.870 -0.152 0.000 1.073 1117 L CA 3.239 57.997 54.840 -0.136 0.000 0.762 1117 L CB -1.974 40.010 42.059 -0.125 0.000 0.889 1117 L HN 0.768 nan 8.230 nan 0.000 0.433 1118 T N -3.349 111.110 114.554 -0.158 0.000 2.788 1118 T HA -0.158 4.190 4.350 -0.003 0.000 0.268 1118 T C 2.023 176.661 174.700 -0.103 0.000 1.044 1118 T CA 1.438 63.479 62.100 -0.099 0.000 1.139 1118 T CB -0.724 68.106 68.868 -0.063 0.000 0.867 1118 T HN 0.396 nan 8.240 nan 0.000 0.454 1119 S N 2.620 118.138 115.700 -0.304 0.000 2.368 1119 S HA -0.198 4.270 4.470 -0.003 0.000 0.226 1119 S C 2.131 176.760 174.600 0.048 0.000 1.044 1119 S CA 0.924 58.977 58.200 -0.245 0.000 1.062 1119 S CB -0.472 62.391 63.200 -0.563 0.000 0.931 1119 S HN 0.513 nan 8.310 nan 0.000 0.440 1120 R N 1.750 122.245 120.500 -0.009 0.000 2.124 1120 R HA 0.010 4.349 4.340 -0.003 0.000 0.215 1120 R C 2.470 178.815 176.300 0.074 0.000 1.145 1120 R CA 1.212 57.333 56.100 0.036 0.000 0.898 1120 R CB -1.510 28.791 30.300 0.001 0.000 0.790 1120 R HN 0.552 nan 8.270 nan 0.000 0.458 1121 S N 1.372 117.102 115.700 0.050 0.000 2.521 1121 S HA -0.382 4.087 4.470 -0.003 0.000 0.517 1121 S C 1.696 176.343 174.600 0.079 0.000 0.973 1121 S CA 2.473 60.732 58.200 0.098 0.000 3.182 1121 S CB -1.935 61.340 63.200 0.126 0.000 2.244 1121 S HN 0.721 nan 8.310 nan 0.000 0.529 1122 Y N 2.204 122.501 120.300 -0.005 0.000 2.874 1122 Y HA 0.230 4.778 4.550 -0.003 0.000 0.311 1122 Y C 1.618 177.486 175.900 -0.053 0.000 1.174 1122 Y CA 0.503 58.594 58.100 -0.016 0.000 1.414 1122 Y CB -0.275 38.178 38.460 -0.010 0.000 0.987 1122 Y HN 0.254 nan 8.280 nan 0.000 0.547 1123 L N 0.581 121.471 121.223 -0.556 0.000 2.262 1123 L HA 0.143 4.481 4.340 -0.003 0.000 0.197 1123 L C 1.249 177.857 176.870 -0.435 0.000 1.073 1123 L CA 0.293 54.727 54.840 -0.676 0.000 0.800 1123 L CB -0.304 41.389 42.059 -0.610 0.000 0.987 1123 L HN 0.183 nan 8.230 nan 0.000 0.470 1124 I N 0.219 120.651 120.570 -0.231 0.000 2.938 1124 I HA -0.023 4.145 4.170 -0.003 0.000 0.285 1124 I C -0.175 175.908 176.117 -0.057 0.000 1.182 1124 I CA 0.097 61.346 61.300 -0.085 0.000 1.388 1124 I CB -0.143 37.883 38.000 0.043 0.000 1.390 1124 I HN 0.132 nan 8.210 nan 0.000 0.600 1125 D N 2.903 123.306 120.400 0.006 0.000 2.639 1125 D HA 0.172 4.810 4.640 -0.003 0.000 0.233 1125 D C -0.195 176.103 176.300 -0.003 0.000 1.161 1125 D CA 0.318 54.321 54.000 0.004 0.000 1.003 1125 D CB 0.307 41.133 40.800 0.043 0.000 1.034 1125 D HN 0.336 nan 8.370 nan 0.000 0.514 1126 S N 1.844 117.528 115.700 -0.027 0.000 2.449 1126 S HA 0.499 4.968 4.470 -0.003 0.000 0.310 1126 S C -2.361 172.210 174.600 -0.049 0.000 1.096 1126 S CA -1.410 56.763 58.200 -0.045 0.000 1.095 1126 S CB 1.015 64.160 63.200 -0.091 0.000 1.007 1126 S HN 0.128 nan 8.310 nan 0.000 0.474 1127 P HA 0.250 nan 4.420 nan 0.000 0.269 1127 P C -2.700 174.617 177.300 0.028 0.000 1.209 1127 P CA -1.152 61.965 63.100 0.028 0.000 0.776 1127 P CB -0.602 31.162 31.700 0.108 0.000 0.876 1128 P HA -0.109 nan 4.420 nan 0.000 0.268 1128 P C 0.603 177.888 177.300 -0.025 0.000 1.189 1128 P CA 0.545 63.644 63.100 -0.003 0.000 0.771 1128 P CB 0.209 31.874 31.700 -0.058 0.000 0.822 1129 T N -0.788 113.720 114.554 -0.076 0.000 2.614 1129 T HA 0.235 4.583 4.350 -0.003 0.000 0.163 1129 T C 0.437 174.988 174.700 -0.249 0.000 0.806 1129 T CA -0.132 61.804 62.100 -0.273 0.000 1.020 1129 T CB -0.570 67.992 68.868 -0.510 0.000 2.539 1129 T HN 0.221 nan 8.240 nan 0.000 0.380 1130 Y N 3.706 124.037 120.300 0.052 0.000 2.258 1130 Y HA 0.574 5.123 4.550 -0.003 0.000 0.345 1130 Y C 0.977 176.914 175.900 0.060 0.000 1.303 1130 Y CA -0.435 57.702 58.100 0.061 0.000 1.537 1130 Y CB 0.139 38.628 38.460 0.048 0.000 1.383 1130 Y HN 0.888 nan 8.280 nan 0.000 0.606 1131 N N -3.468 115.394 118.700 0.270 0.000 3.364 1131 N HA 0.168 4.906 4.740 -0.003 0.000 0.294 1131 N C -0.218 175.387 175.510 0.159 0.000 1.562 1131 N CA -0.615 52.565 53.050 0.216 0.000 0.862 1131 N CB 0.340 38.968 38.487 0.234 0.000 1.691 1131 N HN 0.317 nan 8.380 nan 0.000 0.572 1132 V N 0.581 120.571 119.914 0.126 0.000 2.218 1132 V HA -0.338 3.781 4.120 -0.003 0.000 0.251 1132 V C 1.894 177.910 176.094 -0.130 0.000 1.057 1132 V CA 2.623 64.858 62.300 -0.108 0.000 1.022 1132 V CB -1.229 30.360 31.823 -0.391 0.000 0.645 1132 V HN 0.764 nan 8.190 nan 0.000 0.451 1133 H N -3.085 116.066 119.070 0.136 0.000 2.524 1133 H HA 0.060 4.614 4.556 -0.003 0.000 0.282 1133 H C -0.162 174.867 175.328 -0.498 0.000 1.016 1133 H CA 0.468 56.420 56.048 -0.160 0.000 1.270 1133 H CB -0.044 29.624 29.762 -0.157 0.000 1.394 1133 H HN 0.473 nan 8.280 nan 0.000 0.568 1134 Y N -0.490 119.849 120.300 0.064 0.000 2.328 1134 Y HA 0.330 4.879 4.550 -0.003 0.000 0.333 1134 Y C 1.115 176.987 175.900 -0.047 0.000 0.958 1134 Y CA -0.770 57.271 58.100 -0.098 0.000 1.167 1134 Y CB 1.966 40.423 38.460 -0.005 0.000 1.151 1134 Y HN 0.052 nan 8.280 nan 0.000 0.470 1135 G N 2.471 111.183 108.800 -0.148 0.000 2.744 1135 G HA2 -0.015 3.943 3.960 -0.003 0.000 0.211 1135 G HA3 -0.015 3.943 3.960 -0.003 0.000 0.211 1135 G C -0.220 174.835 174.900 0.259 0.000 1.146 1135 G CA 0.269 45.339 45.100 -0.051 0.000 0.787 1135 G HN 0.515 nan 8.290 nan 0.000 0.534 1136 Y N -0.640 119.924 120.300 0.441 0.000 2.528 1136 Y HA 0.794 5.343 4.550 -0.003 0.000 0.335 1136 Y C -0.104 175.924 175.900 0.213 0.000 1.093 1136 Y CA -3.407 54.920 58.100 0.379 0.000 1.134 1136 Y CB 0.561 39.156 38.460 0.224 0.000 1.253 1136 Y HN -0.264 nan 8.280 nan 0.000 0.478 1137 K N 1.466 122.023 120.400 0.263 0.000 2.401 1137 K HA 0.456 4.774 4.320 -0.003 0.000 0.278 1137 K C -0.203 176.446 176.600 0.081 0.000 1.018 1137 K CA 0.205 56.477 56.287 -0.026 0.000 0.981 1137 K CB 0.488 32.910 32.500 -0.130 0.000 0.933 1137 K HN 0.877 nan 8.250 nan 0.000 0.477 1138 S N 2.224 117.911 115.700 -0.023 0.000 2.550 1138 S HA 0.201 4.669 4.470 -0.003 0.000 0.270 1138 S C -0.003 174.509 174.600 -0.147 0.000 1.145 1138 S CA -1.056 57.090 58.200 -0.090 0.000 0.852 1138 S CB 0.515 63.608 63.200 -0.178 0.000 1.119 1138 S HN 0.836 nan 8.310 nan 0.000 0.465 1139 W N 2.252 123.459 121.300 -0.156 0.000 2.354 1139 W HA -0.112 4.546 4.660 -0.003 0.000 0.315 1139 W C 1.767 178.227 176.519 -0.099 0.000 1.206 1139 W CA 2.444 59.746 57.345 -0.071 0.000 1.290 1139 W CB -0.524 28.898 29.460 -0.063 0.000 1.152 1139 W HN 1.057 nan 8.180 nan 0.000 0.489 1140 E N 1.119 121.243 120.200 -0.128 0.000 2.169 1140 E HA -0.230 4.118 4.350 -0.003 0.000 0.202 1140 E C 1.922 178.259 176.600 -0.439 0.000 1.016 1140 E CA 2.460 58.723 56.400 -0.227 0.000 0.817 1140 E CB -0.761 28.775 29.700 -0.273 0.000 0.736 1140 E HN 0.181 nan 8.360 nan 0.000 0.462 1141 A N 0.415 122.873 122.820 -0.603 0.000 1.836 1141 A HA -0.123 4.195 4.320 -0.003 0.000 0.212 1141 A C 2.186 179.522 177.584 -0.415 0.000 1.243 1141 A CA 1.481 53.219 52.037 -0.499 0.000 0.620 1141 A CB -1.583 17.205 19.000 -0.353 0.000 0.889 1141 A HN 0.503 nan 8.150 nan 0.000 0.463 1142 F N 1.912 121.545 119.950 -0.528 0.000 2.204 1142 F HA -0.308 4.217 4.527 -0.003 0.000 0.301 1142 F C 2.421 177.834 175.800 -0.646 0.000 1.058 1142 F CA 2.265 59.916 58.000 -0.581 0.000 1.313 1142 F CB -0.148 38.416 39.000 -0.726 0.000 1.051 1142 F HN 0.316 nan 8.300 nan 0.000 0.505 1143 S N -0.442 114.783 115.700 -0.793 0.000 2.339 1143 S HA -0.062 4.406 4.470 -0.003 0.000 0.213 1143 S C 1.056 175.419 174.600 -0.395 0.000 1.033 1143 S CA 0.225 58.039 58.200 -0.644 0.000 0.950 1143 S CB -0.953 62.008 63.200 -0.399 0.000 0.893 1143 S HN 0.386 nan 8.310 nan 0.000 0.492 1144 N N 1.916 120.471 118.700 -0.243 0.000 2.301 1144 N HA 0.021 4.759 4.740 -0.003 0.000 0.267 1144 N C 0.372 175.839 175.510 -0.071 0.000 1.304 1144 N CA 0.248 53.262 53.050 -0.060 0.000 0.851 1144 N CB 0.298 38.861 38.487 0.126 0.000 1.070 1144 N HN 0.453 nan 8.380 nan 0.000 0.483 1145 L N 1.931 123.108 121.223 -0.075 0.000 2.585 1145 L HA 0.013 4.352 4.340 -0.003 0.000 0.226 1145 L C 1.663 178.567 176.870 0.056 0.000 1.113 1145 L CA 0.217 54.967 54.840 -0.151 0.000 0.876 1145 L CB -0.018 41.888 42.059 -0.254 0.000 1.072 1145 L HN 0.480 nan 8.230 nan 0.000 0.468 1146 S N -1.591 114.181 115.700 0.119 0.000 2.496 1146 S HA -0.004 4.465 4.470 -0.003 0.000 0.224 1146 S C 0.676 175.426 174.600 0.250 0.000 0.996 1146 S CA 0.097 58.357 58.200 0.101 0.000 0.927 1146 S CB -0.258 62.918 63.200 -0.040 0.000 0.774 1146 S HN 0.183 nan 8.310 nan 0.000 0.524 1147 Y N 0.611 121.059 120.300 0.247 0.000 2.260 1147 Y HA 0.395 4.943 4.550 -0.003 0.000 0.339 1147 Y C 0.035 176.025 175.900 0.150 0.000 1.317 1147 Y CA -0.543 57.750 58.100 0.322 0.000 1.514 1147 Y CB 0.297 38.925 38.460 0.280 0.000 1.382 1147 Y HN 0.066 nan 8.280 nan 0.000 0.581 1148 Y N -0.146 120.315 120.300 0.270 0.000 2.364 1148 Y HA 0.246 4.795 4.550 -0.003 0.000 0.340 1148 Y C 0.399 176.382 175.900 0.138 0.000 0.975 1148 Y CA -0.996 57.177 58.100 0.123 0.000 1.089 1148 Y CB 1.763 40.232 38.460 0.015 0.000 1.192 1148 Y HN 0.482 nan 8.280 nan 0.000 0.454 1149 T N 4.170 118.889 114.554 0.274 0.000 2.868 1149 T HA 0.356 4.704 4.350 -0.003 0.000 0.292 1149 T C -0.243 174.548 174.700 0.152 0.000 1.028 1149 T CA -0.484 61.723 62.100 0.178 0.000 1.059 1149 T CB 0.278 69.214 68.868 0.113 0.000 0.991 1149 T HN 0.506 nan 8.240 nan 0.000 0.531 1150 R N 2.833 123.433 120.500 0.167 0.000 2.409 1150 R HA 0.491 4.829 4.340 -0.003 0.000 0.313 1150 R C 1.016 177.468 176.300 0.252 0.000 0.953 1150 R CA -0.355 55.834 56.100 0.148 0.000 0.849 1150 R CB 1.370 31.704 30.300 0.056 0.000 1.171 1150 R HN 0.818 nan 8.270 nan 0.000 0.458 1151 A N 4.080 127.114 122.820 0.358 0.000 2.084 1151 A HA -0.044 4.274 4.320 -0.003 0.000 0.221 1151 A C 0.726 178.488 177.584 0.295 0.000 1.161 1151 A CA 1.213 53.530 52.037 0.467 0.000 0.653 1151 A CB 0.096 19.615 19.000 0.865 0.000 0.802 1151 A HN 0.514 nan 8.150 nan 0.000 0.457 1152 L N -0.323 121.019 121.223 0.198 0.000 2.455 1152 L HA 0.352 4.691 4.340 -0.003 0.000 0.264 1152 L C -2.628 174.128 176.870 -0.190 0.000 0.968 1152 L CA -2.457 52.324 54.840 -0.099 0.000 0.827 1152 L CB 2.842 44.659 42.059 -0.403 0.000 1.317 1152 L HN -0.051 nan 8.230 nan 0.000 0.407 1153 P HA 0.135 nan 4.420 nan 0.000 0.269 1153 P C -2.671 174.482 177.300 -0.245 0.000 1.215 1153 P CA -0.906 61.933 63.100 -0.435 0.000 0.780 1153 P CB -0.094 31.180 31.700 -0.709 0.000 0.898 1154 P HA 0.094 nan 4.420 nan 0.000 0.302 1154 P C -0.630 176.605 177.300 -0.108 0.000 1.301 1154 P CA -0.111 62.915 63.100 -0.123 0.000 0.745 1154 P CB 0.365 32.002 31.700 -0.106 0.000 1.331 1155 V N -0.955 118.921 119.914 -0.063 0.000 2.448 1155 V HA 0.479 4.597 4.120 -0.003 0.000 0.295 1155 V C 0.471 176.542 176.094 -0.038 0.000 1.025 1155 V CA -1.264 61.007 62.300 -0.049 0.000 0.859 1155 V CB 0.632 32.443 31.823 -0.019 0.000 0.988 1155 V HN 0.716 nan 8.190 nan 0.000 0.431 1156 A N 2.711 125.508 122.820 -0.038 0.000 2.583 1156 A HA 0.018 4.336 4.320 -0.003 0.000 0.249 1156 A C 1.094 178.675 177.584 -0.005 0.000 1.035 1156 A CA 0.083 52.107 52.037 -0.022 0.000 0.777 1156 A CB -0.203 18.792 19.000 -0.007 0.000 0.942 1156 A HN 0.906 nan 8.150 nan 0.000 0.516 1157 D N 1.452 121.853 120.400 0.001 0.000 2.354 1157 D HA -0.150 4.488 4.640 -0.003 0.000 0.216 1157 D C 1.352 177.664 176.300 0.019 0.000 0.970 1157 D CA 1.530 55.538 54.000 0.012 0.000 0.905 1157 D CB 0.065 40.877 40.800 0.019 0.000 0.903 1157 D HN 0.835 nan 8.370 nan 0.000 0.508 1158 D N -0.004 120.408 120.400 0.021 0.000 2.348 1158 D HA -0.091 4.548 4.640 -0.003 0.000 0.211 1158 D C 0.384 176.698 176.300 0.024 0.000 0.998 1158 D CA -0.163 53.855 54.000 0.030 0.000 0.873 1158 D CB -0.182 40.644 40.800 0.044 0.000 0.925 1158 D HN -0.011 nan 8.370 nan 0.000 0.524 1159 c N 2.452 121.060 118.600 0.014 0.000 2.702 1159 c HA 0.071 4.639 4.570 -0.003 0.000 0.411 1159 c C -0.265 173.831 174.090 0.011 0.000 1.286 1159 c CA -0.970 55.364 56.329 0.008 0.000 1.979 1159 c CB 1.271 43.781 42.510 -0.001 0.000 2.728 1159 c HN 0.355 nan 8.230 nan 0.000 0.652 1160 P HA -0.026 nan 4.420 nan 0.000 0.214 1160 P C 0.438 177.744 177.300 0.011 0.000 1.162 1160 P CA 1.540 64.646 63.100 0.010 0.000 0.871 1160 P CB -0.176 31.529 31.700 0.008 0.000 0.783 1161 T N -3.929 110.632 114.554 0.010 0.000 2.888 1161 T HA 0.425 4.774 4.350 -0.003 0.000 0.284 1161 T C -2.162 172.550 174.700 0.020 0.000 1.017 1161 T CA -2.343 59.766 62.100 0.015 0.000 1.022 1161 T CB 1.770 70.648 68.868 0.017 0.000 1.013 1161 T HN -0.261 nan 8.240 nan 0.000 0.465 1162 P HA -0.076 nan 4.420 nan 0.000 0.218 1162 P C 0.870 178.201 177.300 0.051 0.000 1.147 1162 P CA 1.204 64.326 63.100 0.038 0.000 0.827 1162 P CB 0.041 31.764 31.700 0.040 0.000 0.778 1163 M N -2.297 117.331 119.600 0.048 0.000 2.673 1163 M HA 0.336 4.815 4.480 -0.003 0.000 0.334 1163 M C 1.276 177.587 176.300 0.018 0.000 1.211 1163 M CA 0.260 55.590 55.300 0.050 0.000 0.962 1163 M CB -0.167 32.476 32.600 0.070 0.000 1.343 1163 M HN 0.108 nan 8.290 nan 0.000 0.511 1164 G N 0.726 109.531 108.800 0.008 0.000 5.064 1164 G HA2 -0.308 3.651 3.960 -0.003 0.000 0.277 1164 G HA3 -0.308 3.651 3.960 -0.003 0.000 0.277 1164 G C 0.482 175.378 174.900 -0.008 0.000 1.580 1164 G CA 0.742 45.836 45.100 -0.011 0.000 1.109 1164 G HN 0.415 nan 8.290 nan 0.000 0.695 1165 V N -2.695 117.215 119.914 -0.008 0.000 3.165 1165 V HA 0.484 4.602 4.120 -0.003 0.000 0.231 1165 V C 0.973 177.071 176.094 0.008 0.000 1.365 1165 V CA 1.022 63.320 62.300 -0.004 0.000 1.286 1165 V CB -0.187 31.625 31.823 -0.017 0.000 1.081 1165 V HN 0.417 nan 8.190 nan 0.000 0.477 1166 K N 2.155 122.563 120.400 0.012 0.000 2.401 1166 K HA 0.513 4.832 4.320 -0.003 0.000 0.278 1166 K C 0.509 177.134 176.600 0.042 0.000 1.018 1166 K CA 1.183 57.486 56.287 0.027 0.000 0.981 1166 K CB 0.505 33.023 32.500 0.030 0.000 0.933 1166 K HN 0.852 nan 8.250 nan 0.000 0.477 1167 G N 2.172 111.000 108.800 0.047 0.000 2.422 1167 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.607 1167 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.607 1167 G C -1.075 173.842 174.900 0.029 0.000 1.270 1167 G CA -0.929 44.201 45.100 0.050 0.000 0.992 1167 G HN 0.598 nan 8.290 nan 0.000 0.499 1168 N N -0.447 118.263 118.700 0.017 0.000 2.502 1168 N HA 0.327 5.065 4.740 -0.003 0.000 0.280 1168 N C 1.151 176.662 175.510 0.002 0.000 1.223 1168 N CA -0.481 52.572 53.050 0.005 0.000 0.966 1168 N CB 1.301 39.784 38.487 -0.007 0.000 1.203 1168 N HN 0.566 nan 8.380 nan 0.000 0.565 1169 K N 0.406 120.806 120.400 0.000 0.000 2.442 1169 K HA -0.135 4.183 4.320 -0.003 0.000 0.200 1169 K C -0.011 176.588 176.600 -0.002 0.000 1.045 1169 K CA 1.432 57.719 56.287 0.001 0.000 0.937 1169 K CB 0.104 32.604 32.500 0.000 0.000 0.757 1169 K HN 0.488 nan 8.250 nan 0.000 0.474 1170 E N -1.789 118.404 120.200 -0.011 0.000 2.408 1170 E HA 0.395 4.743 4.350 -0.003 0.000 0.266 1170 E C -1.401 175.174 176.600 -0.042 0.000 1.025 1170 E CA -0.824 55.565 56.400 -0.019 0.000 0.881 1170 E CB 1.330 31.017 29.700 -0.023 0.000 1.660 1170 E HN -0.200 nan 8.360 nan 0.000 0.458 1171 L N 1.954 123.140 121.223 -0.061 0.000 2.341 1171 L HA 0.537 4.875 4.340 -0.003 0.000 0.267 1171 L C -2.215 174.553 176.870 -0.169 0.000 1.009 1171 L CA -1.983 52.780 54.840 -0.130 0.000 0.819 1171 L CB 1.347 43.356 42.059 -0.083 0.000 1.323 1171 L HN 0.488 nan 8.230 nan 0.000 0.425 1172 P HA -0.060 nan 4.420 nan 0.000 0.263 1172 P C -0.516 176.711 177.300 -0.123 0.000 1.168 1172 P CA 0.042 62.995 63.100 -0.245 0.000 0.759 1172 P CB 0.417 31.868 31.700 -0.415 0.000 0.782 1173 D N 1.938 122.296 120.400 -0.070 0.000 2.449 1173 D HA -0.062 4.577 4.640 -0.003 0.000 0.236 1173 D C 1.004 177.297 176.300 -0.012 0.000 1.149 1173 D CA 0.280 54.260 54.000 -0.033 0.000 0.878 1173 D CB 0.917 41.704 40.800 -0.022 0.000 1.198 1173 D HN 0.328 nan 8.370 nan 0.000 0.446 1174 S N 3.927 119.632 115.700 0.008 0.000 2.371 1174 S HA -0.181 4.288 4.470 -0.003 0.000 0.224 1174 S C 1.849 176.469 174.600 0.033 0.000 1.029 1174 S CA 0.764 58.986 58.200 0.036 0.000 0.978 1174 S CB -0.230 62.996 63.200 0.042 0.000 0.833 1174 S HN 0.667 nan 8.310 nan 0.000 0.466 1175 K N 1.465 121.875 120.400 0.017 0.000 2.052 1175 K HA -0.251 4.067 4.320 -0.003 0.000 0.215 1175 K C 2.054 178.661 176.600 0.013 0.000 1.053 1175 K CA 2.013 58.306 56.287 0.011 0.000 0.934 1175 K CB -0.340 32.161 32.500 0.002 0.000 0.717 1175 K HN 0.518 nan 8.250 nan 0.000 0.450 1176 E N 0.161 120.367 120.200 0.010 0.000 1.983 1176 E HA -0.217 4.132 4.350 -0.003 0.000 0.208 1176 E C 2.113 178.730 176.600 0.029 0.000 1.006 1176 E CA 1.736 58.143 56.400 0.012 0.000 0.872 1176 E CB -0.751 28.951 29.700 0.004 0.000 0.806 1176 E HN 0.174 nan 8.360 nan 0.000 0.510 1177 V N 2.579 122.526 119.914 0.055 0.000 2.265 1177 V HA -0.356 3.762 4.120 -0.003 0.000 0.259 1177 V C 2.599 178.729 176.094 0.060 0.000 1.084 1177 V CA 2.411 64.766 62.300 0.092 0.000 1.076 1177 V CB -1.131 30.787 31.823 0.158 0.000 0.680 1177 V HN 0.341 nan 8.190 nan 0.000 0.452 1178 L N -0.317 120.938 121.223 0.054 0.000 1.976 1178 L HA -0.345 3.993 4.340 -0.003 0.000 0.223 1178 L C 2.790 179.671 176.870 0.019 0.000 1.081 1178 L CA 2.793 57.658 54.840 0.041 0.000 0.784 1178 L CB -0.373 41.706 42.059 0.033 0.000 0.896 1178 L HN 0.534 nan 8.230 nan 0.000 0.438 1179 E N -0.563 119.644 120.200 0.011 0.000 2.005 1179 E HA -0.198 4.151 4.350 -0.003 0.000 0.191 1179 E C 1.963 178.562 176.600 -0.001 0.000 0.987 1179 E CA 0.790 57.189 56.400 -0.001 0.000 0.814 1179 E CB -0.184 29.514 29.700 -0.004 0.000 0.772 1179 E HN 0.294 nan 8.360 nan 0.000 0.453 1180 K N 0.576 120.979 120.400 0.005 0.000 2.334 1180 K HA -0.184 4.135 4.320 -0.003 0.000 0.204 1180 K C 1.615 178.216 176.600 0.002 0.000 1.043 1180 K CA 1.748 58.038 56.287 0.005 0.000 0.933 1180 K CB -0.079 32.431 32.500 0.017 0.000 0.734 1180 K HN 0.315 nan 8.250 nan 0.000 0.479 1181 V N -5.575 114.341 119.914 0.002 0.000 3.968 1181 V HA 0.087 4.205 4.120 -0.003 0.000 0.298 1181 V C 1.154 177.234 176.094 -0.023 0.000 1.699 1181 V CA -0.270 62.023 62.300 -0.010 0.000 1.282 1181 V CB -0.509 31.312 31.823 -0.002 0.000 0.994 1181 V HN -0.033 nan 8.190 nan 0.000 0.402 1182 L N -0.028 121.186 121.223 -0.014 0.000 2.488 1182 L HA 0.463 4.801 4.340 -0.003 0.000 0.186 1182 L C 0.862 177.721 176.870 -0.019 0.000 1.124 1182 L CA 0.133 54.961 54.840 -0.020 0.000 0.838 1182 L CB -0.008 42.051 42.059 0.001 0.000 1.107 1182 L HN 0.157 nan 8.230 nan 0.000 0.494 1183 L N 2.047 123.262 121.223 -0.013 0.000 2.615 1183 L HA -0.099 4.240 4.340 -0.003 0.000 0.284 1183 L C 0.891 177.742 176.870 -0.031 0.000 1.237 1183 L CA 0.490 55.318 54.840 -0.021 0.000 0.905 1183 L CB -0.146 41.899 42.059 -0.024 0.000 1.149 1183 L HN 0.209 nan 8.230 nan 0.000 0.499 1184 R N 4.273 124.752 120.500 -0.035 0.000 2.401 1184 R HA 0.116 4.454 4.340 -0.003 0.000 0.299 1184 R C 0.649 176.930 176.300 -0.031 0.000 1.064 1184 R CA -0.405 55.669 56.100 -0.043 0.000 1.000 1184 R CB 0.600 30.873 30.300 -0.044 0.000 0.973 1184 R HN 0.649 nan 8.270 nan 0.000 0.438 1185 R N 3.437 123.920 120.500 -0.029 0.000 2.005 1185 R HA 0.094 4.433 4.340 -0.003 0.000 0.213 1185 R C 0.128 176.426 176.300 -0.002 0.000 1.308 1185 R CA 0.490 56.578 56.100 -0.020 0.000 1.022 1185 R CB -0.381 29.905 30.300 -0.023 0.000 0.883 1185 R HN 0.611 nan 8.270 nan 0.000 0.470 1186 E N 1.396 121.597 120.200 0.001 0.000 2.174 1186 E HA 0.127 4.475 4.350 -0.003 0.000 0.282 1186 E C -1.144 175.494 176.600 0.064 0.000 0.992 1186 E CA -0.697 55.724 56.400 0.034 0.000 0.803 1186 E CB 0.803 30.514 29.700 0.019 0.000 1.090 1186 E HN -0.005 nan 8.360 nan 0.000 0.396 1187 F N 5.008 124.928 119.950 -0.051 0.000 2.612 1187 F HA 0.047 4.572 4.527 -0.003 0.000 0.389 1187 F C -0.603 175.165 175.800 -0.054 0.000 1.055 1187 F CA 0.226 58.195 58.000 -0.052 0.000 1.232 1187 F CB 0.199 39.167 39.000 -0.054 0.000 1.044 1187 F HN 0.318 nan 8.300 nan 0.000 0.560 1188 I N 9.078 129.273 120.570 -0.626 0.000 2.339 1188 I HA 0.310 4.479 4.170 -0.003 0.000 0.290 1188 I C -2.124 173.523 176.117 -0.784 0.000 0.994 1188 I CA -2.121 58.901 61.300 -0.462 0.000 1.191 1188 I CB 1.266 39.070 38.000 -0.326 0.000 1.343 1188 I HN 0.470 nan 8.210 nan 0.000 0.458 1189 P HA 0.099 nan 4.420 nan 0.000 0.277 1189 P C -1.018 176.175 177.300 -0.179 0.000 1.240 1189 P CA -0.348 62.703 63.100 -0.081 0.000 0.798 1189 P CB 0.984 32.827 31.700 0.239 0.000 0.979 1190 D N 3.519 123.812 120.400 -0.178 0.000 2.371 1190 D HA 0.057 4.696 4.640 -0.003 0.000 0.256 1190 D C -1.201 174.999 176.300 -0.167 0.000 1.193 1190 D CA -1.782 52.077 54.000 -0.236 0.000 0.881 1190 D CB 0.419 41.038 40.800 -0.301 0.000 1.143 1190 D HN 0.150 nan 8.370 nan 0.000 0.473 1191 P HA -0.207 nan 4.420 nan 0.000 0.219 1191 P C 0.750 177.971 177.300 -0.132 0.000 1.146 1191 P CA 1.164 64.188 63.100 -0.126 0.000 0.808 1191 P CB 0.140 31.764 31.700 -0.127 0.000 0.779 1192 Q N -1.093 118.588 119.800 -0.198 0.000 2.500 1192 Q HA 0.058 4.396 4.340 -0.003 0.000 0.213 1192 Q C 1.456 177.403 176.000 -0.089 0.000 0.974 1192 Q CA 1.025 56.699 55.803 -0.216 0.000 0.918 1192 Q CB -0.460 28.034 28.738 -0.406 0.000 0.980 1192 Q HN 0.341 nan 8.270 nan 0.000 0.505 1193 G N 1.051 109.820 108.800 -0.051 0.000 2.157 1193 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.248 1193 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.248 1193 G C 0.045 174.976 174.900 0.051 0.000 0.979 1193 G CA 0.227 45.344 45.100 0.027 0.000 0.650 1193 G HN 0.288 nan 8.290 nan 0.000 0.529 1194 S N 1.737 117.427 115.700 -0.017 0.000 2.752 1194 S HA 0.267 4.736 4.470 -0.003 0.000 0.329 1194 S C 1.077 175.665 174.600 -0.020 0.000 1.204 1194 S CA 0.549 58.665 58.200 -0.139 0.000 1.252 1194 S CB -0.075 62.870 63.200 -0.426 0.000 1.053 1194 S HN 0.919 nan 8.310 nan 0.000 0.533 1195 N N 3.214 121.958 118.700 0.072 0.000 2.328 1195 N HA 0.199 4.937 4.740 -0.003 0.000 0.277 1195 N C 1.007 176.633 175.510 0.194 0.000 1.286 1195 N CA -0.543 52.598 53.050 0.151 0.000 0.949 1195 N CB 0.063 38.664 38.487 0.191 0.000 1.136 1195 N HN 0.214 nan 8.380 nan 0.000 0.550 1196 M N -1.091 118.629 119.600 0.200 0.000 2.254 1196 M HA 0.040 4.518 4.480 -0.003 0.000 0.265 1196 M C 1.469 177.876 176.300 0.179 0.000 1.066 1196 M CA 1.059 56.405 55.300 0.077 0.000 1.123 1196 M CB -1.031 31.576 32.600 0.012 0.000 1.388 1196 M HN 0.528 nan 8.290 nan 0.000 0.425 1197 M N -0.048 119.770 119.600 0.363 0.000 2.399 1197 M HA -0.247 4.232 4.480 -0.003 0.000 0.263 1197 M C 2.251 178.985 176.300 0.723 0.000 1.067 1197 M CA 1.817 57.435 55.300 0.531 0.000 1.084 1197 M CB -1.749 31.124 32.600 0.455 0.000 1.252 1197 M HN 0.265 nan 8.290 nan 0.000 0.454 1198 F N 0.585 120.872 119.950 0.561 0.000 2.039 1198 F HA -0.371 4.155 4.527 -0.003 0.000 0.296 1198 F C 2.188 178.109 175.800 0.203 0.000 1.119 1198 F CA 2.833 60.939 58.000 0.177 0.000 1.211 1198 F CB -0.701 38.219 39.000 -0.132 0.000 0.956 1198 F HN 0.243 nan 8.300 nan 0.000 0.496 1199 A N 0.559 123.699 122.820 0.534 0.000 1.863 1199 A HA -0.292 4.026 4.320 -0.003 0.000 0.218 1199 A C 2.066 179.768 177.584 0.196 0.000 1.233 1199 A CA 2.288 54.511 52.037 0.311 0.000 0.655 1199 A CB -1.759 17.260 19.000 0.032 0.000 0.839 1199 A HN 0.488 nan 8.150 nan 0.000 0.454 1200 F N -1.333 118.784 119.950 0.278 0.000 2.192 1200 F HA -0.126 4.399 4.527 -0.003 0.000 0.301 1200 F C 1.939 177.985 175.800 0.410 0.000 1.079 1200 F CA 1.025 59.195 58.000 0.284 0.000 1.303 1200 F CB -0.931 38.179 39.000 0.184 0.000 1.024 1200 F HN 0.362 nan 8.300 nan 0.000 0.494 1201 F N 0.346 120.592 119.950 0.493 0.000 1.983 1201 F HA -0.123 4.402 4.527 -0.003 0.000 0.295 1201 F C 2.541 178.384 175.800 0.072 0.000 1.197 1201 F CA 1.734 59.701 58.000 -0.054 0.000 1.165 1201 F CB -0.952 38.034 39.000 -0.023 0.000 0.970 1201 F HN -0.089 nan 8.300 nan 0.000 0.488 1202 A N 0.096 123.264 122.820 0.580 0.000 1.935 1202 A HA -0.475 3.843 4.320 -0.003 0.000 0.224 1202 A C 2.052 179.822 177.584 0.309 0.000 1.324 1202 A CA 2.896 55.282 52.037 0.582 0.000 0.686 1202 A CB -1.670 17.530 19.000 0.333 0.000 0.837 1202 A HN 0.755 nan 8.150 nan 0.000 0.481 1203 Q N -1.437 118.512 119.800 0.249 0.000 1.975 1203 Q HA -0.274 4.064 4.340 -0.003 0.000 0.205 1203 Q C 2.159 178.089 176.000 -0.116 0.000 0.990 1203 Q CA 2.336 58.208 55.803 0.114 0.000 0.845 1203 Q CB -0.548 28.275 28.738 0.142 0.000 0.913 1203 Q HN 0.838 nan 8.270 nan 0.000 0.420 1204 H N -0.557 118.378 119.070 -0.224 0.000 2.265 1204 H HA -0.196 4.358 4.556 -0.003 0.000 0.295 1204 H C 1.937 177.061 175.328 -0.340 0.000 1.084 1204 H CA 2.048 57.858 56.048 -0.396 0.000 1.261 1204 H CB -0.656 28.890 29.762 -0.360 0.000 1.360 1204 H HN 0.463 nan 8.280 nan 0.000 0.487 1205 F N 2.322 122.040 119.950 -0.386 0.000 2.011 1205 F HA -0.269 4.256 4.527 -0.003 0.000 0.296 1205 F C 2.920 178.326 175.800 -0.655 0.000 1.144 1205 F CA 3.165 60.862 58.000 -0.505 0.000 1.185 1205 F CB -1.253 37.521 39.000 -0.376 0.000 0.961 1205 F HN 0.317 nan 8.300 nan 0.000 0.485 1206 T N -2.492 111.594 114.554 -0.779 0.000 2.969 1206 T HA -0.291 4.058 4.350 -0.003 0.000 0.271 1206 T C 1.528 175.426 174.700 -1.336 0.000 1.127 1206 T CA 1.871 63.086 62.100 -1.474 0.000 1.102 1206 T CB -1.117 67.490 68.868 -0.434 0.000 0.855 1206 T HN 0.486 nan 8.240 nan 0.000 0.536 1207 H N 1.709 120.250 119.070 -0.882 0.000 2.556 1207 H HA 0.125 4.680 4.556 -0.003 0.000 0.268 1207 H C 2.319 177.297 175.328 -0.583 0.000 0.996 1207 H CA 0.835 56.563 56.048 -0.534 0.000 1.157 1207 H CB -0.068 29.663 29.762 -0.052 0.000 1.355 1207 H HN 0.788 nan 8.280 nan 0.000 0.597 1208 Q N -0.888 118.442 119.800 -0.782 0.000 2.159 1208 Q HA -0.031 4.307 4.340 -0.003 0.000 0.194 1208 Q C 1.391 177.138 176.000 -0.421 0.000 0.968 1208 Q CA 0.762 56.313 55.803 -0.420 0.000 0.837 1208 Q CB -0.492 28.201 28.738 -0.074 0.000 0.920 1208 Q HN 0.347 nan 8.270 nan 0.000 0.485 1209 F N 1.713 121.342 119.950 -0.536 0.000 2.031 1209 F HA 0.044 4.569 4.527 -0.003 0.000 0.295 1209 F C 0.854 176.358 175.800 -0.494 0.000 1.133 1209 F CA -0.310 57.336 58.000 -0.591 0.000 1.188 1209 F CB -1.464 37.045 39.000 -0.819 0.000 0.974 1209 F HN -0.144 nan 8.300 nan 0.000 0.473 1210 F N 1.581 121.361 119.950 -0.284 0.000 2.504 1210 F HA 0.396 4.921 4.527 -0.003 0.000 0.369 1210 F C 0.740 176.343 175.800 -0.328 0.000 1.082 1210 F CA -0.547 57.327 58.000 -0.209 0.000 1.216 1210 F CB 0.113 38.849 39.000 -0.440 0.000 1.108 1210 F HN 0.048 nan 8.300 nan 0.000 0.554 1211 K N 0.655 121.057 120.400 0.003 0.000 3.118 1211 K HA 0.048 4.367 4.320 -0.003 0.000 0.157 1211 K C -0.573 175.985 176.600 -0.070 0.000 1.043 1211 K CA -0.188 56.023 56.287 -0.127 0.000 1.073 1211 K CB 0.544 32.930 32.500 -0.190 0.000 0.685 1211 K HN 0.641 nan 8.250 nan 0.000 0.390 1212 T N 1.985 116.568 114.554 0.048 0.000 2.657 1212 T HA -0.184 4.164 4.350 -0.003 0.000 0.245 1212 T C -0.035 174.525 174.700 -0.234 0.000 1.021 1212 T CA 0.826 62.911 62.100 -0.024 0.000 1.155 1212 T CB 0.032 68.822 68.868 -0.130 0.000 1.022 1212 T HN 0.189 nan 8.240 nan 0.000 0.477 1213 D N 1.442 121.759 120.400 -0.139 0.000 2.428 1213 D HA 0.196 4.834 4.640 -0.003 0.000 0.221 1213 D C 0.826 177.083 176.300 -0.072 0.000 1.123 1213 D CA -0.528 53.425 54.000 -0.079 0.000 0.869 1213 D CB 0.453 41.237 40.800 -0.027 0.000 1.032 1213 D HN 0.593 nan 8.370 nan 0.000 0.506 1214 H N 2.495 121.609 119.070 0.074 0.000 2.423 1214 H HA -0.034 4.520 4.556 -0.003 0.000 0.297 1214 H C 1.686 177.059 175.328 0.075 0.000 1.075 1214 H CA 1.074 57.167 56.048 0.075 0.000 1.342 1214 H CB 0.409 30.198 29.762 0.045 0.000 1.395 1214 H HN 0.350 nan 8.280 nan 0.000 0.530 1215 K N 0.794 121.285 120.400 0.152 0.000 2.113 1215 K HA -0.176 4.142 4.320 -0.003 0.000 0.208 1215 K C 1.959 178.609 176.600 0.084 0.000 1.047 1215 K CA 1.236 57.577 56.287 0.090 0.000 0.928 1215 K CB -0.107 32.418 32.500 0.042 0.000 0.716 1215 K HN 0.379 nan 8.250 nan 0.000 0.446 1216 R N 0.236 120.793 120.500 0.095 0.000 2.057 1216 R HA 0.039 4.377 4.340 -0.003 0.000 0.224 1216 R C 1.075 177.616 176.300 0.401 0.000 1.136 1216 R CA 1.016 57.185 56.100 0.114 0.000 0.968 1216 R CB 0.316 30.569 30.300 -0.078 0.000 0.863 1216 R HN 0.333 nan 8.270 nan 0.000 0.433 1217 G N -1.793 107.252 108.800 0.408 0.000 2.320 1217 G HA2 0.042 4.000 3.960 -0.003 0.000 0.297 1217 G HA3 0.042 4.000 3.960 -0.003 0.000 0.297 1217 G C -2.661 172.243 174.900 0.007 0.000 1.344 1217 G CA -0.950 44.275 45.100 0.208 0.000 0.851 1217 G HN -0.183 nan 8.290 nan 0.000 0.567 1218 P HA 0.077 nan 4.420 nan 0.000 0.217 1218 P C 1.911 179.125 177.300 -0.143 0.000 1.151 1218 P CA 1.719 64.764 63.100 -0.093 0.000 0.828 1218 P CB 0.097 31.767 31.700 -0.051 0.000 0.788 1219 G N -1.479 107.102 108.800 -0.365 0.000 2.534 1219 G HA2 -0.062 3.896 3.960 -0.003 0.000 0.217 1219 G HA3 -0.062 3.896 3.960 -0.003 0.000 0.217 1219 G C 0.149 174.928 174.900 -0.202 0.000 1.128 1219 G CA -0.019 44.855 45.100 -0.377 0.000 0.784 1219 G HN 0.206 nan 8.290 nan 0.000 0.542 1220 F N 0.585 120.572 119.950 0.061 0.000 2.408 1220 F HA 0.492 5.017 4.527 -0.003 0.000 0.344 1220 F C 0.792 176.451 175.800 -0.235 0.000 1.112 1220 F CA -0.950 56.983 58.000 -0.110 0.000 1.096 1220 F CB 1.780 40.666 39.000 -0.190 0.000 1.129 1220 F HN -0.152 nan 8.300 nan 0.000 0.486 1221 T N 1.359 115.651 114.554 -0.437 0.000 2.944 1221 T HA 0.387 4.735 4.350 -0.003 0.000 0.284 1221 T C 0.719 175.261 174.700 -0.264 0.000 1.010 1221 T CA -0.573 61.139 62.100 -0.646 0.000 1.025 1221 T CB 1.574 69.681 68.868 -1.268 0.000 1.079 1221 T HN 0.787 nan 8.240 nan 0.000 0.516 1222 R N 0.598 120.970 120.500 -0.215 0.000 2.373 1222 R HA 0.263 4.601 4.340 -0.003 0.000 0.221 1222 R C 1.174 177.395 176.300 -0.131 0.000 0.893 1222 R CA -0.026 55.993 56.100 -0.136 0.000 1.049 1222 R CB 0.422 30.655 30.300 -0.111 0.000 1.119 1222 R HN 0.755 nan 8.270 nan 0.000 0.535 1223 G N 1.169 109.861 108.800 -0.180 0.000 2.915 1223 G HA2 0.195 4.153 3.960 -0.003 0.000 0.298 1223 G HA3 0.195 4.153 3.960 -0.003 0.000 0.298 1223 G C 0.632 175.501 174.900 -0.052 0.000 0.837 1223 G CA -0.347 44.668 45.100 -0.142 0.000 1.752 1223 G HN 0.123 nan 8.290 nan 0.000 0.526 1224 L N 2.005 123.242 121.223 0.023 0.000 2.353 1224 L HA 0.005 4.343 4.340 -0.003 0.000 0.220 1224 L C 2.855 179.815 176.870 0.151 0.000 1.133 1224 L CA 0.900 55.825 54.840 0.142 0.000 0.798 1224 L CB -0.008 42.046 42.059 -0.008 0.000 0.922 1224 L HN 0.507 nan 8.230 nan 0.000 0.445 1225 G N -1.660 107.174 108.800 0.057 0.000 2.479 1225 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.220 1225 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.220 1225 G C 0.624 175.572 174.900 0.079 0.000 1.115 1225 G CA 0.256 45.371 45.100 0.024 0.000 0.757 1225 G HN 0.650 nan 8.290 nan 0.000 0.560 1226 H N -0.146 118.851 119.070 -0.121 0.000 2.484 1226 H HA -0.163 4.391 4.556 -0.003 0.000 0.321 1226 H C 1.137 176.372 175.328 -0.156 0.000 1.065 1226 H CA 0.595 56.562 56.048 -0.136 0.000 1.118 1226 H CB -1.298 28.378 29.762 -0.144 0.000 1.511 1226 H HN 0.793 nan 8.280 nan 0.000 0.403 1227 G N -1.543 107.212 108.800 -0.075 0.000 2.324 1227 G HA2 0.196 4.154 3.960 -0.003 0.000 0.293 1227 G HA3 0.196 4.154 3.960 -0.003 0.000 0.293 1227 G C -0.690 174.167 174.900 -0.073 0.000 1.297 1227 G CA -0.441 44.560 45.100 -0.165 0.000 0.853 1227 G HN 0.219 nan 8.290 nan 0.000 0.535 1228 V N 1.780 121.635 119.914 -0.099 0.000 2.382 1228 V HA 0.282 4.400 4.120 -0.003 0.000 0.250 1228 V C 0.562 176.680 176.094 0.040 0.000 1.069 1228 V CA 1.209 63.533 62.300 0.041 0.000 1.130 1228 V CB 0.039 31.911 31.823 0.082 0.000 1.165 1228 V HN 0.832 nan 8.190 nan 0.000 0.483 1229 D N 3.374 123.795 120.400 0.034 0.000 2.527 1229 D HA 0.096 4.734 4.640 -0.003 0.000 0.224 1229 D C 0.710 177.001 176.300 -0.015 0.000 1.217 1229 D CA -0.520 53.487 54.000 0.012 0.000 0.819 1229 D CB -0.231 40.569 40.800 -0.002 0.000 1.061 1229 D HN 0.369 nan 8.370 nan 0.000 0.515 1230 L N 0.817 121.980 121.223 -0.101 0.000 3.781 1230 L HA -0.361 3.978 4.340 -0.003 0.000 0.426 1230 L C 1.014 177.621 176.870 -0.439 0.000 1.197 1230 L CA 0.673 55.224 54.840 -0.481 0.000 0.907 1230 L CB -2.295 39.551 42.059 -0.355 0.000 1.812 1230 L HN 0.293 nan 8.230 nan 0.000 0.956 1231 N N 0.499 119.062 118.700 -0.228 0.000 2.453 1231 N HA -0.189 4.550 4.740 -0.003 0.000 0.183 1231 N C 1.485 176.839 175.510 -0.261 0.000 1.041 1231 N CA 1.712 54.674 53.050 -0.146 0.000 0.900 1231 N CB -0.271 38.161 38.487 -0.092 0.000 0.961 1231 N HN 0.770 nan 8.380 nan 0.000 0.443 1232 H N -1.813 117.072 119.070 -0.308 0.000 2.524 1232 H HA 0.220 4.775 4.556 -0.003 0.000 0.282 1232 H C 1.449 176.531 175.328 -0.410 0.000 1.016 1232 H CA 0.975 56.735 56.048 -0.480 0.000 1.270 1232 H CB -0.141 29.242 29.762 -0.632 0.000 1.394 1232 H HN 0.310 nan 8.280 nan 0.000 0.568 1233 I N -0.763 119.377 120.570 -0.716 0.000 3.081 1233 I HA -0.038 4.130 4.170 -0.003 0.000 0.274 1233 I C 0.647 176.384 176.117 -0.632 0.000 1.178 1233 I CA 0.327 61.214 61.300 -0.689 0.000 1.460 1233 I CB 0.262 37.599 38.000 -1.106 0.000 1.137 1233 I HN 0.166 nan 8.210 nan 0.000 0.443 1234 Y N 0.987 121.152 120.300 -0.225 0.000 2.612 1234 Y HA 0.564 5.112 4.550 -0.003 0.000 0.250 1234 Y C 1.090 176.915 175.900 -0.124 0.000 1.175 1234 Y CA -0.359 57.661 58.100 -0.133 0.000 1.205 1234 Y CB 0.007 38.427 38.460 -0.067 0.000 1.201 1234 Y HN 0.080 nan 8.280 nan 0.000 0.532 1235 G N 0.765 109.537 108.800 -0.047 0.000 2.787 1235 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.685 1235 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.685 1235 G C 0.400 175.262 174.900 -0.062 0.000 1.437 1235 G CA -0.126 44.929 45.100 -0.075 0.000 0.872 1235 G HN 0.225 nan 8.290 nan 0.000 0.566 1236 E N -0.510 119.641 120.200 -0.082 0.000 2.075 1236 E HA 0.022 4.371 4.350 -0.003 0.000 0.190 1236 E C 1.959 178.520 176.600 -0.066 0.000 0.969 1236 E CA 1.461 57.818 56.400 -0.072 0.000 0.815 1236 E CB -0.054 29.597 29.700 -0.082 0.000 0.776 1236 E HN 0.914 nan 8.360 nan 0.000 0.457 1237 T N -1.315 113.196 114.554 -0.072 0.000 2.904 1237 T HA 0.224 4.572 4.350 -0.003 0.000 0.290 1237 T C 1.497 176.134 174.700 -0.104 0.000 1.018 1237 T CA -0.499 61.557 62.100 -0.074 0.000 1.075 1237 T CB 1.408 70.239 68.868 -0.061 0.000 0.986 1237 T HN -0.046 nan 8.240 nan 0.000 0.523 1238 L N 0.657 121.802 121.223 -0.129 0.000 2.012 1238 L HA -0.118 4.220 4.340 -0.003 0.000 0.210 1238 L C 2.813 179.528 176.870 -0.258 0.000 1.073 1238 L CA 1.763 56.445 54.840 -0.263 0.000 0.748 1238 L CB -0.492 41.446 42.059 -0.202 0.000 0.891 1238 L HN 0.874 nan 8.230 nan 0.000 0.431 1239 D N -0.166 120.188 120.400 -0.078 0.000 2.160 1239 D HA -0.307 4.332 4.640 -0.003 0.000 0.189 1239 D C 2.188 178.483 176.300 -0.008 0.000 1.003 1239 D CA 1.987 55.993 54.000 0.010 0.000 0.846 1239 D CB 0.011 40.815 40.800 0.005 0.000 0.949 1239 D HN 0.226 nan 8.370 nan 0.000 0.446 1240 R N 0.482 120.953 120.500 -0.048 0.000 2.088 1240 R HA -0.248 4.091 4.340 -0.003 0.000 0.232 1240 R C 2.590 178.855 176.300 -0.058 0.000 1.136 1240 R CA 2.461 58.533 56.100 -0.047 0.000 0.926 1240 R CB -0.508 29.754 30.300 -0.062 0.000 0.837 1240 R HN 0.200 nan 8.270 nan 0.000 0.429 1241 Q N -0.472 119.265 119.800 -0.104 0.000 2.118 1241 Q HA -0.285 4.053 4.340 -0.003 0.000 0.211 1241 Q C 1.791 177.696 176.000 -0.159 0.000 0.998 1241 Q CA 2.320 58.053 55.803 -0.118 0.000 0.872 1241 Q CB -0.529 28.087 28.738 -0.203 0.000 0.925 1241 Q HN 0.567 nan 8.270 nan 0.000 0.414 1242 H N 0.304 119.325 119.070 -0.083 0.000 2.387 1242 H HA -0.004 4.550 4.556 -0.003 0.000 0.299 1242 H C 1.729 176.985 175.328 -0.121 0.000 1.090 1242 H CA 1.706 57.706 56.048 -0.080 0.000 1.332 1242 H CB 0.062 29.925 29.762 0.169 0.000 1.386 1242 H HN 0.470 nan 8.280 nan 0.000 0.516 1243 K N 0.334 120.771 120.400 0.061 0.000 2.217 1243 K HA 0.018 4.337 4.320 -0.003 0.000 0.202 1243 K C 1.896 178.469 176.600 -0.046 0.000 1.051 1243 K CA 0.560 56.860 56.287 0.021 0.000 0.952 1243 K CB 0.159 32.672 32.500 0.022 0.000 0.736 1243 K HN 0.175 nan 8.250 nan 0.000 0.453 1244 L N 0.469 121.653 121.223 -0.064 0.000 2.599 1244 L HA 0.064 4.403 4.340 -0.003 0.000 0.230 1244 L C 0.728 177.533 176.870 -0.109 0.000 1.141 1244 L CA 0.073 54.877 54.840 -0.061 0.000 0.877 1244 L CB -0.119 41.926 42.059 -0.023 0.000 1.009 1244 L HN 0.038 nan 8.230 nan 0.000 0.447 1245 R N 0.224 120.568 120.500 -0.259 0.000 2.486 1245 R HA 0.226 4.564 4.340 -0.003 0.000 0.286 1245 R C 0.649 176.631 176.300 -0.529 0.000 0.999 1245 R CA -0.396 55.411 56.100 -0.488 0.000 0.993 1245 R CB 1.827 31.500 30.300 -1.045 0.000 1.084 1245 R HN -0.058 nan 8.270 nan 0.000 0.487 1246 L N 2.587 123.594 121.223 -0.360 0.000 2.463 1246 L HA 0.282 4.620 4.340 -0.003 0.000 0.219 1246 L C -0.216 176.635 176.870 -0.031 0.000 1.088 1246 L CA 0.810 55.541 54.840 -0.181 0.000 0.849 1246 L CB 0.128 42.101 42.059 -0.143 0.000 1.012 1246 L HN 0.779 nan 8.230 nan 0.000 0.468 1247 F N 0.660 120.613 119.950 0.005 0.000 2.905 1247 F HA -0.270 4.256 4.527 -0.003 0.000 0.291 1247 F C 0.182 175.987 175.800 0.008 0.000 1.002 1247 F CA 0.678 58.671 58.000 -0.012 0.000 0.978 1247 F CB -1.517 37.448 39.000 -0.058 0.000 1.036 1247 F HN 0.239 nan 8.300 nan 0.000 0.820 1248 K N 0.401 120.911 120.400 0.183 0.000 2.582 1248 K HA 0.296 4.614 4.320 -0.003 0.000 0.259 1248 K C -0.322 176.361 176.600 0.139 0.000 0.973 1248 K CA -0.706 55.660 56.287 0.133 0.000 0.880 1248 K CB 1.252 33.800 32.500 0.080 0.000 1.310 1248 K HN 0.182 nan 8.250 nan 0.000 0.443 1249 D N 1.794 122.286 120.400 0.154 0.000 2.955 1249 D HA -0.215 4.424 4.640 -0.003 0.000 0.226 1249 D C 0.651 177.080 176.300 0.215 0.000 1.178 1249 D CA 1.587 55.688 54.000 0.169 0.000 0.808 1249 D CB -1.164 39.715 40.800 0.133 0.000 1.099 1249 D HN 1.010 nan 8.370 nan 0.000 0.421 1250 G N -0.554 108.403 108.800 0.260 0.000 2.258 1250 G HA2 -0.430 3.528 3.960 -0.003 0.000 0.274 1250 G HA3 -0.430 3.528 3.960 -0.003 0.000 0.274 1250 G C 0.215 175.387 174.900 0.454 0.000 1.021 1250 G CA 0.845 46.175 45.100 0.384 0.000 0.798 1250 G HN 0.521 nan 8.290 nan 0.000 0.507 1251 K N -0.948 119.632 120.400 0.301 0.000 2.118 1251 K HA 0.629 4.947 4.320 -0.003 0.000 0.264 1251 K C 0.692 177.404 176.600 0.187 0.000 1.000 1251 K CA -0.788 55.680 56.287 0.302 0.000 0.929 1251 K CB 1.029 33.623 32.500 0.157 0.000 1.021 1251 K HN 0.149 nan 8.250 nan 0.000 0.463 1252 L N 2.963 124.284 121.223 0.164 0.000 2.349 1252 L HA 0.157 4.495 4.340 -0.003 0.000 0.275 1252 L C 0.335 177.185 176.870 -0.033 0.000 1.115 1252 L CA -0.175 54.676 54.840 0.017 0.000 0.820 1252 L CB 0.697 42.725 42.059 -0.051 0.000 1.135 1252 L HN 0.390 nan 8.230 nan 0.000 0.445 1253 K N 3.255 123.600 120.400 -0.092 0.000 2.524 1253 K HA 0.038 4.356 4.320 -0.003 0.000 0.279 1253 K C -0.790 175.797 176.600 -0.022 0.000 0.993 1253 K CA 0.467 56.676 56.287 -0.131 0.000 1.030 1253 K CB 0.410 32.853 32.500 -0.094 0.000 0.891 1253 K HN 0.399 nan 8.250 nan 0.000 0.488 1254 Y N -0.648 119.646 120.300 -0.010 0.000 3.048 1254 Y HA 0.475 5.024 4.550 -0.003 0.000 0.305 1254 Y C -1.049 174.834 175.900 -0.029 0.000 1.538 1254 Y CA -1.590 56.495 58.100 -0.025 0.000 1.082 1254 Y CB 0.723 39.181 38.460 -0.003 0.000 1.388 1254 Y HN 0.610 nan 8.280 nan 0.000 0.557 1255 Q N 0.126 120.164 119.800 0.396 0.000 2.438 1255 Q HA 0.654 4.992 4.340 -0.003 0.000 0.272 1255 Q C -2.574 173.463 176.000 0.062 0.000 0.994 1255 Q CA -0.994 54.938 55.803 0.215 0.000 0.887 1255 Q CB 2.221 31.003 28.738 0.073 0.000 1.432 1255 Q HN 0.599 nan 8.270 nan 0.000 0.392 1256 V N 4.242 124.193 119.914 0.061 0.000 2.347 1256 V HA 0.501 4.619 4.120 -0.003 0.000 0.280 1256 V C -0.370 175.781 176.094 0.095 0.000 1.021 1256 V CA -0.394 61.921 62.300 0.025 0.000 0.847 1256 V CB 1.078 32.889 31.823 -0.019 0.000 0.990 1256 V HN 0.683 nan 8.190 nan 0.000 0.444 1257 I N 3.617 124.295 120.570 0.179 0.000 2.406 1257 I HA 0.492 4.660 4.170 -0.003 0.000 0.290 1257 I C 1.164 177.380 176.117 0.164 0.000 0.999 1257 I CA -0.651 60.746 61.300 0.161 0.000 1.124 1257 I CB 1.600 39.684 38.000 0.140 0.000 1.289 1257 I HN 0.786 nan 8.210 nan 0.000 0.441 1258 G N 4.351 113.210 108.800 0.099 0.000 2.395 1258 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.300 1258 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.300 1258 G C 1.014 175.958 174.900 0.074 0.000 0.998 1258 G CA 0.725 45.875 45.100 0.084 0.000 1.046 1258 G HN 1.593 nan 8.290 nan 0.000 0.513 1259 G N -1.752 107.079 108.800 0.052 0.000 2.168 1259 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.257 1259 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.257 1259 G C 0.073 174.967 174.900 -0.010 0.000 0.997 1259 G CA 0.985 46.096 45.100 0.018 0.000 0.708 1259 G HN 0.926 nan 8.290 nan 0.000 0.520 1260 E N -0.693 119.516 120.200 0.015 0.000 2.256 1260 E HA 0.531 4.879 4.350 -0.003 0.000 0.267 1260 E C 0.033 176.511 176.600 -0.205 0.000 0.892 1260 E CA -0.824 55.516 56.400 -0.101 0.000 0.775 1260 E CB 2.277 31.941 29.700 -0.061 0.000 1.207 1260 E HN 0.099 nan 8.360 nan 0.000 0.420 1261 V N 3.506 123.182 119.914 -0.396 0.000 2.455 1261 V HA 0.199 4.317 4.120 -0.003 0.000 0.273 1261 V C -0.652 175.127 176.094 -0.525 0.000 1.045 1261 V CA 0.168 62.210 62.300 -0.430 0.000 0.976 1261 V CB -0.524 31.052 31.823 -0.411 0.000 0.993 1261 V HN 0.511 nan 8.190 nan 0.000 0.475 1262 Y N 4.606 124.818 120.300 -0.148 0.000 2.581 1262 Y HA 0.472 5.020 4.550 -0.003 0.000 0.345 1262 Y C -2.266 173.497 175.900 -0.228 0.000 1.036 1262 Y CA -2.581 55.433 58.100 -0.145 0.000 1.042 1262 Y CB 2.476 40.861 38.460 -0.126 0.000 1.289 1262 Y HN 0.425 nan 8.280 nan 0.000 0.471 1263 P HA -0.008 nan 4.420 nan 0.000 0.270 1263 P C -2.613 174.456 177.300 -0.385 0.000 1.221 1263 P CA -0.580 62.402 63.100 -0.197 0.000 0.788 1263 P CB -0.022 31.586 31.700 -0.154 0.000 0.904 1264 P HA 0.160 nan 4.420 nan 0.000 0.283 1264 P C -0.557 176.661 177.300 -0.137 0.000 1.278 1264 P CA -0.399 62.612 63.100 -0.149 0.000 0.834 1264 P CB 0.312 31.991 31.700 -0.035 0.000 1.150 1265 T N -1.873 112.657 114.554 -0.041 0.000 2.868 1265 T HA 0.122 4.470 4.350 -0.003 0.000 0.292 1265 T C 1.249 175.991 174.700 0.070 0.000 1.028 1265 T CA -0.315 61.822 62.100 0.061 0.000 1.059 1265 T CB -0.164 68.754 68.868 0.082 0.000 0.991 1265 T HN 0.047 nan 8.240 nan 0.000 0.531 1266 V N 2.833 122.816 119.914 0.115 0.000 2.667 1266 V HA -0.001 4.117 4.120 -0.003 0.000 0.252 1266 V C 2.693 178.821 176.094 0.057 0.000 1.065 1266 V CA 1.786 64.133 62.300 0.079 0.000 1.083 1266 V CB -0.776 31.107 31.823 0.100 0.000 0.692 1266 V HN 0.974 nan 8.190 nan 0.000 0.468 1267 K N -0.008 120.431 120.400 0.066 0.000 2.504 1267 K HA -0.132 4.187 4.320 -0.003 0.000 0.195 1267 K C 0.746 177.369 176.600 0.038 0.000 1.036 1267 K CA 1.223 57.540 56.287 0.050 0.000 0.984 1267 K CB 0.065 32.597 32.500 0.053 0.000 0.788 1267 K HN 0.481 nan 8.250 nan 0.000 0.488 1268 D N -0.862 119.560 120.400 0.036 0.000 2.449 1268 D HA -0.034 4.605 4.640 -0.003 0.000 0.210 1268 D C 1.266 177.578 176.300 0.020 0.000 1.094 1268 D CA 0.664 54.680 54.000 0.027 0.000 0.846 1268 D CB 1.012 41.828 40.800 0.026 0.000 1.003 1268 D HN 0.316 nan 8.370 nan 0.000 0.504 1269 T N -2.981 111.584 114.554 0.019 0.000 3.004 1269 T HA 0.075 4.423 4.350 -0.003 0.000 0.266 1269 T C 0.753 175.460 174.700 0.013 0.000 0.986 1269 T CA -0.064 62.043 62.100 0.012 0.000 0.902 1269 T CB 0.661 69.529 68.868 0.001 0.000 1.118 1269 T HN -0.278 nan 8.240 nan 0.000 0.522 1270 Q N 0.435 120.244 119.800 0.015 0.000 2.332 1270 Q HA -0.137 4.202 4.340 -0.003 0.000 0.222 1270 Q C 0.221 176.219 176.000 -0.002 0.000 0.758 1270 Q CA 0.735 56.544 55.803 0.010 0.000 1.355 1270 Q CB -2.701 26.044 28.738 0.011 0.000 1.705 1270 Q HN 0.640 nan 8.270 nan 0.000 0.638 1271 V N 1.500 121.410 119.914 -0.008 0.000 3.032 1271 V HA -0.061 4.057 4.120 -0.003 0.000 0.307 1271 V C 1.060 177.126 176.094 -0.046 0.000 1.097 1271 V CA 0.320 62.604 62.300 -0.027 0.000 1.191 1271 V CB 0.785 32.589 31.823 -0.032 0.000 0.964 1271 V HN 0.115 nan 8.190 nan 0.000 0.494 1272 E N 4.273 124.435 120.200 -0.064 0.000 2.180 1272 E HA 0.308 4.656 4.350 -0.003 0.000 0.283 1272 E C -0.549 175.968 176.600 -0.139 0.000 1.061 1272 E CA -0.109 56.240 56.400 -0.086 0.000 0.861 1272 E CB 0.949 30.603 29.700 -0.076 0.000 1.056 1272 E HN 0.338 nan 8.360 nan 0.000 0.407 1273 M N 3.185 122.668 119.600 -0.194 0.000 2.327 1273 M HA 0.406 4.885 4.480 -0.003 0.000 0.298 1273 M C -0.273 175.773 176.300 -0.423 0.000 1.065 1273 M CA -0.888 54.190 55.300 -0.370 0.000 0.916 1273 M CB 1.541 33.814 32.600 -0.545 0.000 1.630 1273 M HN 0.296 nan 8.290 nan 0.000 0.442 1274 I N 3.871 124.207 120.570 -0.390 0.000 2.347 1274 I HA 0.228 4.397 4.170 -0.003 0.000 0.294 1274 I C -1.041 174.934 176.117 -0.237 0.000 1.090 1274 I CA -0.202 60.951 61.300 -0.245 0.000 1.314 1274 I CB -0.414 37.505 38.000 -0.134 0.000 1.423 1274 I HN 0.359 nan 8.210 nan 0.000 0.503 1275 Y N 6.408 126.630 120.300 -0.130 0.000 2.553 1275 Y HA 0.562 5.110 4.550 -0.003 0.000 0.347 1275 Y C -2.284 173.474 175.900 -0.238 0.000 1.019 1275 Y CA -3.151 54.832 58.100 -0.194 0.000 1.032 1275 Y CB 1.615 39.992 38.460 -0.139 0.000 1.284 1275 Y HN 0.409 nan 8.280 nan 0.000 0.466 1276 P HA 0.337 nan 4.420 nan 0.000 0.290 1276 P C -2.360 174.728 177.300 -0.353 0.000 1.276 1276 P CA -1.680 61.254 63.100 -0.277 0.000 0.808 1276 P CB 1.396 32.887 31.700 -0.349 0.000 0.966 1277 P HA -0.295 nan 4.420 nan 0.000 0.226 1277 P C 1.441 178.718 177.300 -0.039 0.000 1.154 1277 P CA 1.963 65.043 63.100 -0.033 0.000 0.918 1277 P CB -0.447 31.301 31.700 0.080 0.000 0.790 1278 H N -1.425 117.657 119.070 0.020 0.000 2.389 1278 H HA -0.028 4.526 4.556 -0.003 0.000 0.299 1278 H C 1.029 176.347 175.328 -0.016 0.000 1.081 1278 H CA 0.315 56.368 56.048 0.009 0.000 1.345 1278 H CB -1.474 28.300 29.762 0.020 0.000 1.393 1278 H HN 0.075 nan 8.280 nan 0.000 0.520 1279 I N 4.914 125.328 120.570 -0.261 0.000 3.089 1279 I HA -0.087 4.081 4.170 -0.003 0.000 0.321 1279 I C -1.960 174.091 176.117 -0.110 0.000 1.222 1279 I CA -1.016 60.154 61.300 -0.217 0.000 1.452 1279 I CB -0.549 37.204 38.000 -0.411 0.000 1.321 1279 I HN 0.159 nan 8.210 nan 0.000 0.539 1280 P HA 0.217 nan 4.420 nan 0.000 0.284 1280 P C 0.466 177.754 177.300 -0.020 0.000 1.253 1280 P CA -0.447 62.635 63.100 -0.030 0.000 0.800 1280 P CB 1.079 32.768 31.700 -0.019 0.000 0.961 1281 E N 1.643 121.855 120.200 0.020 0.000 2.097 1281 E HA -0.245 4.104 4.350 -0.003 0.000 0.196 1281 E C 1.665 178.313 176.600 0.079 0.000 1.000 1281 E CA 1.591 58.025 56.400 0.056 0.000 0.804 1281 E CB -0.254 29.479 29.700 0.055 0.000 0.740 1281 E HN 0.591 nan 8.360 nan 0.000 0.454 1282 N N 0.716 119.452 118.700 0.060 0.000 2.513 1282 N HA -0.186 4.553 4.740 -0.003 0.000 0.187 1282 N C 1.499 177.084 175.510 0.125 0.000 1.056 1282 N CA 0.944 54.044 53.050 0.083 0.000 0.907 1282 N CB -0.006 38.511 38.487 0.051 0.000 0.954 1282 N HN 0.276 nan 8.380 nan 0.000 0.445 1283 L N -0.336 120.917 121.223 0.050 0.000 2.642 1283 L HA 0.135 4.474 4.340 -0.003 0.000 0.233 1283 L C 0.427 177.254 176.870 -0.071 0.000 1.077 1283 L CA -0.049 54.740 54.840 -0.085 0.000 0.879 1283 L CB 0.080 41.993 42.059 -0.243 0.000 1.151 1283 L HN 0.004 nan 8.230 nan 0.000 0.495 1284 Q N 1.814 121.658 119.800 0.072 0.000 2.320 1284 Q HA 0.084 4.422 4.340 -0.003 0.000 0.262 1284 Q C -0.713 175.697 176.000 0.684 0.000 1.225 1284 Q CA 0.457 56.457 55.803 0.328 0.000 0.916 1284 Q CB -0.223 28.726 28.738 0.352 0.000 1.417 1284 Q HN 0.257 nan 8.270 nan 0.000 0.462 1285 F N 0.844 121.040 119.950 0.410 0.000 2.389 1285 F HA 0.382 4.907 4.527 -0.003 0.000 0.337 1285 F C 0.676 176.573 175.800 0.162 0.000 1.112 1285 F CA -1.125 57.020 58.000 0.241 0.000 1.192 1285 F CB 0.946 40.062 39.000 0.193 0.000 1.185 1285 F HN 0.426 nan 8.300 nan 0.000 0.552 1286 A N 3.633 126.564 122.820 0.185 0.000 2.287 1286 A HA 0.710 5.028 4.320 -0.003 0.000 0.317 1286 A C -0.829 176.777 177.584 0.037 0.000 1.220 1286 A CA -0.496 51.577 52.037 0.060 0.000 0.835 1286 A CB 1.094 20.107 19.000 0.020 0.000 1.180 1286 A HN 0.684 nan 8.150 nan 0.000 0.500 1287 V N 0.126 120.049 119.914 0.014 0.000 3.206 1287 V HA 0.847 4.966 4.120 -0.003 0.000 0.305 1287 V C 1.032 177.071 176.094 -0.091 0.000 1.257 1287 V CA 0.033 62.332 62.300 -0.002 0.000 1.057 1287 V CB 1.078 32.961 31.823 0.100 0.000 1.075 1287 V HN 1.349 nan 8.190 nan 0.000 0.443 1288 G N 0.109 108.826 108.800 -0.138 0.000 2.606 1288 G HA2 -0.191 3.767 3.960 -0.003 0.000 0.221 1288 G HA3 -0.191 3.767 3.960 -0.003 0.000 0.221 1288 G C 0.701 175.436 174.900 -0.275 0.000 1.152 1288 G CA 1.348 46.323 45.100 -0.208 0.000 0.765 1288 G HN 0.828 nan 8.290 nan 0.000 0.595 1289 Q N 0.438 119.977 119.800 -0.436 0.000 2.278 1289 Q HA 0.190 4.528 4.340 -0.003 0.000 0.257 1289 Q C 1.501 177.291 176.000 -0.350 0.000 0.928 1289 Q CA -0.114 55.326 55.803 -0.604 0.000 0.932 1289 Q CB 1.551 29.365 28.738 -1.540 0.000 1.221 1289 Q HN 0.768 nan 8.270 nan 0.000 0.434 1290 E N 1.953 122.007 120.200 -0.244 0.000 2.204 1290 E HA -0.130 4.218 4.350 -0.003 0.000 0.194 1290 E C 1.324 177.841 176.600 -0.138 0.000 0.989 1290 E CA 0.753 57.044 56.400 -0.182 0.000 0.824 1290 E CB 0.086 29.692 29.700 -0.156 0.000 0.756 1290 E HN 0.303 nan 8.360 nan 0.000 0.477 1291 V N 0.426 120.319 119.914 -0.035 0.000 2.649 1291 V HA -0.137 3.981 4.120 -0.003 0.000 0.248 1291 V C 1.452 177.709 176.094 0.272 0.000 1.054 1291 V CA 0.801 63.164 62.300 0.106 0.000 1.073 1291 V CB -0.580 31.359 31.823 0.193 0.000 0.699 1291 V HN 0.158 nan 8.190 nan 0.000 0.463 1292 F N 1.688 121.647 119.950 0.015 0.000 2.354 1292 F HA -0.157 4.368 4.527 -0.003 0.000 0.300 1292 F C 2.184 178.027 175.800 0.073 0.000 1.052 1292 F CA 1.107 59.130 58.000 0.038 0.000 1.425 1292 F CB -1.560 37.469 39.000 0.048 0.000 1.095 1292 F HN 0.299 nan 8.300 nan 0.000 0.560 1293 G N -0.517 108.465 108.800 0.303 0.000 2.511 1293 G HA2 -0.073 3.885 3.960 -0.003 0.000 0.217 1293 G HA3 -0.073 3.885 3.960 -0.003 0.000 0.217 1293 G C 1.520 176.597 174.900 0.295 0.000 1.133 1293 G CA 0.020 45.396 45.100 0.461 0.000 0.792 1293 G HN 0.391 nan 8.290 nan 0.000 0.539 1294 L N 0.670 122.039 121.223 0.243 0.000 2.650 1294 L HA 0.205 4.544 4.340 -0.003 0.000 0.235 1294 L C -0.246 176.698 176.870 0.124 0.000 1.149 1294 L CA -0.050 54.952 54.840 0.270 0.000 0.887 1294 L CB 0.151 42.361 42.059 0.251 0.000 1.021 1294 L HN -0.078 nan 8.230 nan 0.000 0.441 1295 V N -0.568 119.296 119.914 -0.084 0.000 2.516 1295 V HA 0.191 4.310 4.120 -0.003 0.000 0.271 1295 V C -1.722 174.046 176.094 -0.543 0.000 0.992 1295 V CA -0.801 61.298 62.300 -0.335 0.000 0.857 1295 V CB 1.744 33.416 31.823 -0.250 0.000 1.047 1295 V HN -0.096 nan 8.190 nan 0.000 0.455 1296 P HA -0.181 nan 4.420 nan 0.000 0.219 1296 P C 1.637 178.516 177.300 -0.701 0.000 1.145 1296 P CA 1.819 64.516 63.100 -0.672 0.000 0.813 1296 P CB 0.329 31.610 31.700 -0.697 0.000 0.771 1297 G N -0.721 107.440 108.800 -1.065 0.000 2.404 1297 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.215 1297 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.215 1297 G C 1.311 175.635 174.900 -0.960 0.000 1.174 1297 G CA 0.458 44.558 45.100 -1.667 0.000 0.780 1297 G HN 0.123 nan 8.290 nan 0.000 0.537 1298 L N 0.054 120.875 121.223 -0.669 0.000 1.948 1298 L HA 0.015 4.354 4.340 -0.003 0.000 0.212 1298 L C 2.808 179.578 176.870 -0.167 0.000 1.074 1298 L CA 1.997 56.608 54.840 -0.383 0.000 0.753 1298 L CB -1.188 40.485 42.059 -0.642 0.000 0.888 1298 L HN 0.252 nan 8.230 nan 0.000 0.432 1299 M N -0.954 118.555 119.600 -0.152 0.000 2.128 1299 M HA -0.313 4.165 4.480 -0.003 0.000 0.253 1299 M C 2.252 178.544 176.300 -0.015 0.000 1.079 1299 M CA 1.941 57.249 55.300 0.013 0.000 1.082 1299 M CB -0.586 31.978 32.600 -0.060 0.000 1.335 1299 M HN 0.376 nan 8.290 nan 0.000 0.401 1300 M N -1.414 118.047 119.600 -0.232 0.000 2.082 1300 M HA -0.291 4.188 4.480 -0.003 0.000 0.258 1300 M C 1.949 178.155 176.300 -0.156 0.000 1.071 1300 M CA 2.085 57.210 55.300 -0.292 0.000 1.103 1300 M CB -0.711 31.597 32.600 -0.487 0.000 1.307 1300 M HN 0.332 nan 8.290 nan 0.000 0.409 1301 Y N 0.757 120.955 120.300 -0.170 0.000 2.081 1301 Y HA -0.225 4.323 4.550 -0.003 0.000 0.280 1301 Y C 2.748 178.614 175.900 -0.057 0.000 1.163 1301 Y CA 1.654 59.609 58.100 -0.241 0.000 1.135 1301 Y CB -1.468 36.633 38.460 -0.597 0.000 0.970 1301 Y HN 0.461 nan 8.280 nan 0.000 0.498 1302 A N -0.113 122.903 122.820 0.326 0.000 1.885 1302 A HA -0.346 3.972 4.320 -0.003 0.000 0.215 1302 A C 2.336 180.091 177.584 0.286 0.000 1.255 1302 A CA 3.386 55.701 52.037 0.462 0.000 0.692 1302 A CB -1.565 17.698 19.000 0.440 0.000 0.842 1302 A HN 0.479 nan 8.150 nan 0.000 0.465 1303 T N 0.507 115.177 114.554 0.194 0.000 2.693 1303 T HA -0.314 4.034 4.350 -0.003 0.000 0.263 1303 T C 1.711 176.435 174.700 0.040 0.000 1.046 1303 T CA 2.160 64.319 62.100 0.099 0.000 1.160 1303 T CB -0.923 67.984 68.868 0.066 0.000 0.853 1303 T HN 0.450 nan 8.240 nan 0.000 0.462 1304 I N -0.771 119.807 120.570 0.014 0.000 2.045 1304 I HA -0.195 3.973 4.170 -0.003 0.000 0.233 1304 I C 2.436 178.561 176.117 0.014 0.000 1.048 1304 I CA 1.809 63.071 61.300 -0.063 0.000 1.313 1304 I CB -0.567 37.342 38.000 -0.151 0.000 1.043 1304 I HN 0.303 nan 8.210 nan 0.000 0.393 1305 W N 0.984 122.333 121.300 0.081 0.000 2.290 1305 W HA -0.307 4.351 4.660 -0.003 0.000 0.323 1305 W C 2.644 179.206 176.519 0.071 0.000 1.260 1305 W CA 1.410 58.805 57.345 0.083 0.000 1.266 1305 W CB -0.585 28.934 29.460 0.097 0.000 1.149 1305 W HN 0.218 nan 8.180 nan 0.000 0.482 1306 L N 0.837 122.244 121.223 0.308 0.000 1.997 1306 L HA -0.319 4.019 4.340 -0.003 0.000 0.216 1306 L C 2.567 179.562 176.870 0.208 0.000 1.074 1306 L CA 2.057 57.008 54.840 0.186 0.000 0.763 1306 L CB -0.529 41.604 42.059 0.124 0.000 0.890 1306 L HN -0.007 nan 8.230 nan 0.000 0.434 1307 R N -0.446 120.134 120.500 0.134 0.000 2.091 1307 R HA -0.247 4.091 4.340 -0.003 0.000 0.238 1307 R C 2.228 178.607 176.300 0.132 0.000 1.136 1307 R CA 1.659 57.810 56.100 0.085 0.000 0.959 1307 R CB -0.444 29.844 30.300 -0.020 0.000 0.856 1307 R HN 0.483 nan 8.270 nan 0.000 0.437 1308 E N 0.426 120.722 120.200 0.160 0.000 2.033 1308 E HA -0.260 4.088 4.350 -0.003 0.000 0.199 1308 E C 1.653 178.401 176.600 0.246 0.000 1.011 1308 E CA 2.071 58.583 56.400 0.187 0.000 0.815 1308 E CB -0.392 29.471 29.700 0.272 0.000 0.755 1308 E HN 0.444 nan 8.360 nan 0.000 0.451 1309 H N 0.145 119.352 119.070 0.227 0.000 2.371 1309 H HA -0.187 4.368 4.556 -0.003 0.000 0.292 1309 H C 1.773 177.203 175.328 0.169 0.000 1.066 1309 H CA 2.855 59.025 56.048 0.204 0.000 1.153 1309 H CB -0.574 29.307 29.762 0.199 0.000 1.375 1309 H HN 0.210 nan 8.280 nan 0.000 0.558 1310 N N 0.287 119.201 118.700 0.356 0.000 2.184 1310 N HA -0.211 4.527 4.740 -0.003 0.000 0.190 1310 N C 2.034 177.625 175.510 0.135 0.000 1.011 1310 N CA 1.415 54.622 53.050 0.261 0.000 0.867 1310 N CB -0.487 38.199 38.487 0.331 0.000 0.993 1310 N HN 0.431 nan 8.380 nan 0.000 0.433 1311 R N 0.818 121.389 120.500 0.119 0.000 2.083 1311 R HA -0.078 4.260 4.340 -0.003 0.000 0.237 1311 R C 1.802 178.131 176.300 0.048 0.000 1.137 1311 R CA 1.237 57.382 56.100 0.074 0.000 0.951 1311 R CB -0.521 29.816 30.300 0.062 0.000 0.851 1311 R HN 0.059 nan 8.270 nan 0.000 0.434 1312 V N 0.702 120.638 119.914 0.036 0.000 2.287 1312 V HA -0.350 3.768 4.120 -0.003 0.000 0.248 1312 V C 2.643 178.734 176.094 -0.005 0.000 1.053 1312 V CA 1.964 64.272 62.300 0.014 0.000 1.027 1312 V CB -0.450 31.379 31.823 0.010 0.000 0.646 1312 V HN 0.565 nan 8.190 nan 0.000 0.447 1313 C N 0.077 119.353 119.300 -0.039 0.000 2.376 1313 C HA -0.240 4.218 4.460 -0.003 0.000 0.275 1313 C C 2.484 177.501 174.990 0.045 0.000 1.200 1313 C CA 1.377 60.402 59.018 0.012 0.000 1.756 1313 C CB -1.234 26.535 27.740 0.047 0.000 2.050 1313 C HN 0.639 nan 8.230 nan 0.000 0.460 1314 D N 0.796 121.225 120.400 0.047 0.000 2.104 1314 D HA -0.116 4.523 4.640 -0.003 0.000 0.194 1314 D C 1.788 178.090 176.300 0.003 0.000 0.994 1314 D CA 1.358 55.380 54.000 0.038 0.000 0.830 1314 D CB -0.534 40.292 40.800 0.043 0.000 0.959 1314 D HN 0.519 nan 8.370 nan 0.000 0.452 1315 I N 0.451 121.018 120.570 -0.006 0.000 2.264 1315 I HA -0.240 3.928 4.170 -0.003 0.000 0.248 1315 I C 2.506 178.570 176.117 -0.089 0.000 1.111 1315 I CA 0.768 62.046 61.300 -0.037 0.000 1.382 1315 I CB -0.331 37.657 38.000 -0.021 0.000 1.060 1315 I HN -0.017 nan 8.210 nan 0.000 0.418 1316 L N 0.759 121.941 121.223 -0.069 0.000 1.973 1316 L HA -0.204 4.134 4.340 -0.003 0.000 0.208 1316 L C 2.666 179.429 176.870 -0.180 0.000 1.073 1316 L CA 1.571 56.323 54.840 -0.146 0.000 0.746 1316 L CB -0.622 41.447 42.059 0.018 0.000 0.891 1316 L HN 0.194 nan 8.230 nan 0.000 0.433 1317 K N -0.210 120.172 120.400 -0.031 0.000 2.374 1317 K HA -0.302 4.016 4.320 -0.003 0.000 0.202 1317 K C 2.064 178.630 176.600 -0.057 0.000 1.044 1317 K CA 1.556 57.845 56.287 0.003 0.000 0.933 1317 K CB 0.056 32.591 32.500 0.057 0.000 0.745 1317 K HN 0.130 nan 8.250 nan 0.000 0.474 1318 Q N 0.569 120.309 119.800 -0.100 0.000 2.089 1318 Q HA -0.080 4.258 4.340 -0.003 0.000 0.195 1318 Q C 1.632 177.525 176.000 -0.179 0.000 0.963 1318 Q CA 1.563 57.304 55.803 -0.102 0.000 0.834 1318 Q CB -0.025 28.662 28.738 -0.086 0.000 0.906 1318 Q HN 0.234 nan 8.270 nan 0.000 0.452 1319 E N -0.305 119.701 120.200 -0.323 0.000 2.077 1319 E HA -0.092 4.256 4.350 -0.003 0.000 0.193 1319 E C -0.094 176.148 176.600 -0.597 0.000 0.989 1319 E CA 1.091 57.169 56.400 -0.535 0.000 0.800 1319 E CB 0.071 29.261 29.700 -0.850 0.000 0.746 1319 E HN 0.369 nan 8.360 nan 0.000 0.452 1320 H N -0.725 118.103 119.070 -0.404 0.000 2.530 1320 H HA 0.201 4.755 4.556 -0.003 0.000 0.246 1320 H C -1.915 173.294 175.328 -0.198 0.000 1.346 1320 H CA -2.300 53.450 56.048 -0.497 0.000 1.424 1320 H CB 0.840 29.761 29.762 -1.402 0.000 1.445 1320 H HN 0.120 nan 8.280 nan 0.000 0.511 1321 P HA -0.096 nan 4.420 nan 0.000 0.234 1321 P C 0.310 177.675 177.300 0.108 0.000 1.167 1321 P CA 0.768 63.898 63.100 0.050 0.000 0.763 1321 P CB 0.309 32.026 31.700 0.028 0.000 0.835 1322 E N -2.592 117.695 120.200 0.145 0.000 2.437 1322 E HA 0.118 4.467 4.350 -0.003 0.000 0.195 1322 E C -0.152 176.687 176.600 0.399 0.000 1.029 1322 E CA -0.378 56.147 56.400 0.208 0.000 0.948 1322 E CB -0.513 29.290 29.700 0.172 0.000 1.082 1322 E HN 0.128 nan 8.360 nan 0.000 0.456 1323 W N 0.826 122.174 121.300 0.080 0.000 2.497 1323 W HA 0.724 5.382 4.660 -0.003 0.000 0.359 1323 W C 0.863 177.422 176.519 0.066 0.000 1.131 1323 W CA -1.240 56.145 57.345 0.066 0.000 1.280 1323 W CB 1.166 30.694 29.460 0.112 0.000 1.319 1323 W HN 0.057 nan 8.180 nan 0.000 0.626 1324 G N 0.391 109.302 108.800 0.185 0.000 2.462 1324 G HA2 0.207 4.165 3.960 -0.003 0.000 0.319 1324 G HA3 0.207 4.165 3.960 -0.003 0.000 0.319 1324 G C 0.258 175.254 174.900 0.160 0.000 1.171 1324 G CA -0.202 44.971 45.100 0.121 0.000 0.920 1324 G HN 0.476 nan 8.290 nan 0.000 0.499 1325 D N -0.372 120.119 120.400 0.151 0.000 2.108 1325 D HA -0.205 4.433 4.640 -0.003 0.000 0.190 1325 D C 1.861 178.296 176.300 0.226 0.000 0.995 1325 D CA 1.600 55.721 54.000 0.201 0.000 0.834 1325 D CB 0.080 41.003 40.800 0.204 0.000 0.967 1325 D HN 0.385 nan 8.370 nan 0.000 0.446 1326 E N -0.436 119.861 120.200 0.161 0.000 2.331 1326 E HA -0.213 4.135 4.350 -0.003 0.000 0.199 1326 E C 1.851 178.538 176.600 0.145 0.000 1.008 1326 E CA 0.667 57.157 56.400 0.150 0.000 0.843 1326 E CB -0.048 29.689 29.700 0.061 0.000 0.761 1326 E HN 0.594 nan 8.360 nan 0.000 0.507 1327 Q N -0.185 119.653 119.800 0.063 0.000 2.165 1327 Q HA -0.022 4.316 4.340 -0.003 0.000 0.197 1327 Q C 2.348 178.406 176.000 0.098 0.000 0.952 1327 Q CA 0.207 55.961 55.803 -0.081 0.000 0.848 1327 Q CB 0.127 28.595 28.738 -0.450 0.000 0.931 1327 Q HN 0.193 nan 8.270 nan 0.000 0.470 1328 L N 0.299 121.688 121.223 0.276 0.000 1.955 1328 L HA -0.187 4.151 4.340 -0.003 0.000 0.213 1328 L C 2.408 179.444 176.870 0.277 0.000 1.072 1328 L CA 1.816 56.882 54.840 0.376 0.000 0.755 1328 L CB -0.734 41.529 42.059 0.340 0.000 0.888 1328 L HN 0.333 nan 8.230 nan 0.000 0.432 1329 F N 0.394 120.444 119.950 0.168 0.000 2.111 1329 F HA -0.347 4.178 4.527 -0.003 0.000 0.300 1329 F C 2.647 178.518 175.800 0.120 0.000 1.088 1329 F CA 1.797 59.908 58.000 0.185 0.000 1.243 1329 F CB -0.154 38.935 39.000 0.148 0.000 0.996 1329 F HN 0.142 nan 8.300 nan 0.000 0.483 1330 Q N -0.327 119.633 119.800 0.267 0.000 2.137 1330 Q HA -0.086 4.252 4.340 -0.003 0.000 0.198 1330 Q C 2.200 178.216 176.000 0.027 0.000 0.960 1330 Q CA 1.844 57.705 55.803 0.095 0.000 0.847 1330 Q CB -0.609 28.236 28.738 0.179 0.000 0.915 1330 Q HN 0.455 nan 8.270 nan 0.000 0.448 1331 T N 1.004 115.628 114.554 0.116 0.000 2.777 1331 T HA -0.092 4.256 4.350 -0.003 0.000 0.266 1331 T C 2.197 177.006 174.700 0.182 0.000 1.040 1331 T CA 1.335 63.562 62.100 0.212 0.000 1.141 1331 T CB -0.178 68.956 68.868 0.443 0.000 0.868 1331 T HN 0.148 nan 8.240 nan 0.000 0.444 1332 S N 1.263 117.004 115.700 0.067 0.000 2.392 1332 S HA -0.208 4.261 4.470 -0.003 0.000 0.225 1332 S C 2.083 176.707 174.600 0.041 0.000 1.041 1332 S CA 1.653 59.828 58.200 -0.043 0.000 1.100 1332 S CB -0.420 62.515 63.200 -0.443 0.000 1.029 1332 S HN 0.491 nan 8.310 nan 0.000 0.424 1333 R N 0.781 121.237 120.500 -0.074 0.000 2.174 1333 R HA -0.129 4.209 4.340 -0.003 0.000 0.253 1333 R C 2.086 178.444 176.300 0.098 0.000 1.165 1333 R CA 1.241 57.307 56.100 -0.056 0.000 0.984 1333 R CB -0.354 29.601 30.300 -0.575 0.000 0.873 1333 R HN 0.381 nan 8.270 nan 0.000 0.456 1334 L N -0.188 121.132 121.223 0.161 0.000 2.068 1334 L HA -0.122 4.216 4.340 -0.003 0.000 0.204 1334 L C 2.361 179.518 176.870 0.479 0.000 1.076 1334 L CA 1.165 56.205 54.840 0.333 0.000 0.753 1334 L CB -0.359 41.912 42.059 0.353 0.000 0.910 1334 L HN 0.240 nan 8.230 nan 0.000 0.439 1335 I N -0.374 120.464 120.570 0.447 0.000 2.127 1335 I HA -0.331 3.837 4.170 -0.003 0.000 0.241 1335 I C 2.414 178.680 176.117 0.247 0.000 1.075 1335 I CA 1.184 62.681 61.300 0.327 0.000 1.334 1335 I CB -0.267 37.889 38.000 0.261 0.000 1.040 1335 I HN 0.119 nan 8.210 nan 0.000 0.405 1336 L N 0.146 121.514 121.223 0.242 0.000 1.989 1336 L HA -0.245 4.093 4.340 -0.003 0.000 0.211 1336 L C 2.372 179.336 176.870 0.156 0.000 1.071 1336 L CA 1.865 56.848 54.840 0.239 0.000 0.749 1336 L CB -0.597 41.610 42.059 0.247 0.000 0.890 1336 L HN 0.160 nan 8.230 nan 0.000 0.431 1337 I N -0.995 119.665 120.570 0.150 0.000 2.185 1337 I HA -0.342 3.826 4.170 -0.003 0.000 0.246 1337 I C 2.341 178.558 176.117 0.167 0.000 1.088 1337 I CA 1.580 62.952 61.300 0.120 0.000 1.347 1337 I CB -0.667 37.426 38.000 0.153 0.000 1.041 1337 I HN 0.407 nan 8.210 nan 0.000 0.415 1338 G N -0.244 108.707 108.800 0.251 0.000 2.480 1338 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.216 1338 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.216 1338 G C 1.418 176.470 174.900 0.254 0.000 1.200 1338 G CA 0.896 46.172 45.100 0.294 0.000 0.782 1338 G HN 0.387 nan 8.290 nan 0.000 0.554 1339 E N -0.380 119.968 120.200 0.246 0.000 2.055 1339 E HA -0.188 4.161 4.350 -0.003 0.000 0.209 1339 E C 2.790 179.561 176.600 0.286 0.000 1.036 1339 E CA 1.928 58.499 56.400 0.284 0.000 0.849 1339 E CB -0.425 29.502 29.700 0.379 0.000 0.767 1339 E HN 0.346 nan 8.360 nan 0.000 0.461 1340 T N 1.563 116.285 114.554 0.279 0.000 2.536 1340 T HA -0.237 4.111 4.350 -0.003 0.000 0.263 1340 T C 1.847 176.567 174.700 0.034 0.000 1.115 1340 T CA 1.663 63.881 62.100 0.197 0.000 1.180 1340 T CB -0.395 68.470 68.868 -0.005 0.000 0.864 1340 T HN 0.126 nan 8.240 nan 0.000 0.419 1341 I N 1.333 121.866 120.570 -0.062 0.000 2.229 1341 I HA -0.258 3.911 4.170 -0.003 0.000 0.250 1341 I C 2.402 178.200 176.117 -0.531 0.000 1.096 1341 I CA 1.721 62.819 61.300 -0.337 0.000 1.358 1341 I CB -0.903 36.802 38.000 -0.493 0.000 1.047 1341 I HN 0.305 nan 8.210 nan 0.000 0.422 1342 K N 1.861 122.130 120.400 -0.218 0.000 1.980 1342 K HA -0.067 4.251 4.320 -0.003 0.000 0.208 1342 K C 2.053 178.683 176.600 0.049 0.000 1.043 1342 K CA 1.316 57.630 56.287 0.044 0.000 0.938 1342 K CB -0.443 32.249 32.500 0.321 0.000 0.724 1342 K HN 0.151 nan 8.250 nan 0.000 0.438 1343 I N 0.739 121.378 120.570 0.116 0.000 2.300 1343 I HA -0.305 3.863 4.170 -0.003 0.000 0.252 1343 I C 2.062 178.201 176.117 0.036 0.000 1.119 1343 I CA 0.988 62.368 61.300 0.134 0.000 1.384 1343 I CB -0.237 37.925 38.000 0.270 0.000 1.062 1343 I HN 0.076 nan 8.210 nan 0.000 0.426 1344 V N 1.014 120.870 119.914 -0.097 0.000 2.231 1344 V HA -0.251 3.868 4.120 -0.003 0.000 0.240 1344 V C 2.261 178.293 176.094 -0.104 0.000 1.039 1344 V CA 1.866 63.985 62.300 -0.303 0.000 0.998 1344 V CB -0.289 31.181 31.823 -0.589 0.000 0.639 1344 V HN 0.229 nan 8.190 nan 0.000 0.451 1345 I N 0.087 120.588 120.570 -0.115 0.000 2.087 1345 I HA -0.334 3.835 4.170 -0.003 0.000 0.240 1345 I C 2.565 178.725 176.117 0.071 0.000 1.054 1345 I CA 2.118 63.408 61.300 -0.017 0.000 1.311 1345 I CB -0.497 37.462 38.000 -0.069 0.000 1.024 1345 I HN 0.431 nan 8.210 nan 0.000 0.402 1346 E N 0.035 120.285 120.200 0.084 0.000 2.208 1346 E HA -0.137 4.211 4.350 -0.003 0.000 0.193 1346 E C 1.003 177.673 176.600 0.115 0.000 0.988 1346 E CA 0.889 57.350 56.400 0.103 0.000 0.828 1346 E CB 0.065 29.832 29.700 0.112 0.000 0.763 1346 E HN 0.558 nan 8.360 nan 0.000 0.478 1347 D N -0.563 119.927 120.400 0.151 0.000 2.910 1347 D HA -0.004 4.634 4.640 -0.003 0.000 0.241 1347 D C 1.363 177.861 176.300 0.331 0.000 1.346 1347 D CA -0.257 53.890 54.000 0.245 0.000 1.227 1347 D CB -1.034 39.937 40.800 0.285 0.000 0.926 1347 D HN -0.067 nan 8.370 nan 0.000 0.212 1348 Y N 2.098 122.456 120.300 0.097 0.000 1.667 1348 Y HA -0.440 4.108 4.550 -0.003 0.000 0.166 1348 Y C 2.295 178.247 175.900 0.087 0.000 0.978 1348 Y CA 2.757 60.684 58.100 -0.287 0.000 0.822 1348 Y CB -0.811 37.216 38.460 -0.722 0.000 0.708 1348 Y HN -0.096 nan 8.280 nan 0.000 0.620 1349 V N 0.523 120.756 119.914 0.531 0.000 2.313 1349 V HA -0.427 3.691 4.120 -0.003 0.000 0.253 1349 V C 2.259 178.452 176.094 0.166 0.000 1.070 1349 V CA 2.348 64.863 62.300 0.359 0.000 1.057 1349 V CB -1.210 30.756 31.823 0.238 0.000 0.653 1349 V HN 0.666 nan 8.190 nan 0.000 0.450 1350 Q N 0.691 120.582 119.800 0.152 0.000 1.985 1350 Q HA -0.291 4.047 4.340 -0.003 0.000 0.207 1350 Q C 2.156 178.183 176.000 0.045 0.000 0.996 1350 Q CA 2.808 58.658 55.803 0.079 0.000 0.851 1350 Q CB -0.804 27.998 28.738 0.107 0.000 0.921 1350 Q HN 0.854 nan 8.270 nan 0.000 0.418 1351 H N -0.687 118.406 119.070 0.040 0.000 2.265 1351 H HA -0.179 4.376 4.556 -0.003 0.000 0.293 1351 H C 1.699 176.970 175.328 -0.096 0.000 1.089 1351 H CA 2.054 58.100 56.048 -0.003 0.000 1.244 1351 H CB -0.645 29.170 29.762 0.088 0.000 1.355 1351 H HN 0.353 nan 8.280 nan 0.000 0.485 1352 L N 0.788 121.977 121.223 -0.056 0.000 2.211 1352 L HA -0.214 4.125 4.340 -0.003 0.000 0.216 1352 L C 2.547 179.280 176.870 -0.227 0.000 1.092 1352 L CA 2.100 56.860 54.840 -0.133 0.000 0.767 1352 L CB -1.024 41.171 42.059 0.227 0.000 0.894 1352 L HN 0.673 nan 8.230 nan 0.000 0.437 1353 S N -1.758 113.748 115.700 -0.324 0.000 2.492 1353 S HA 0.171 4.640 4.470 -0.003 0.000 0.218 1353 S C 1.677 175.982 174.600 -0.491 0.000 1.016 1353 S CA 0.456 58.276 58.200 -0.632 0.000 0.916 1353 S CB -0.101 62.367 63.200 -1.219 0.000 0.791 1353 S HN 0.576 nan 8.310 nan 0.000 0.513 1354 G N 0.775 109.377 108.800 -0.329 0.000 2.212 1354 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.267 1354 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.267 1354 G C -0.055 174.795 174.900 -0.083 0.000 1.002 1354 G CA 0.751 45.729 45.100 -0.204 0.000 0.729 1354 G HN 0.535 nan 8.290 nan 0.000 0.517 1355 Y N -0.966 119.233 120.300 -0.169 0.000 2.330 1355 Y HA 0.377 4.925 4.550 -0.003 0.000 0.341 1355 Y C 1.747 177.478 175.900 -0.282 0.000 1.278 1355 Y CA -0.289 57.683 58.100 -0.213 0.000 1.453 1355 Y CB 0.293 38.663 38.460 -0.149 0.000 1.342 1355 Y HN 0.280 nan 8.280 nan 0.000 0.590 1356 H N 0.052 119.051 119.070 -0.118 0.000 2.520 1356 H HA 0.040 4.594 4.556 -0.003 0.000 0.279 1356 H C -0.036 175.172 175.328 -0.200 0.000 0.990 1356 H CA -0.140 55.837 56.048 -0.117 0.000 1.288 1356 H CB 0.217 30.010 29.762 0.051 0.000 1.446 1356 H HN 0.415 nan 8.280 nan 0.000 0.538 1357 F N 2.568 122.155 119.950 -0.605 0.000 2.538 1357 F HA 0.107 4.632 4.527 -0.003 0.000 0.371 1357 F C 0.160 175.885 175.800 -0.125 0.000 1.087 1357 F CA -0.471 57.249 58.000 -0.467 0.000 1.250 1357 F CB 0.483 38.959 39.000 -0.874 0.000 1.110 1357 F HN -0.248 nan 8.300 nan 0.000 0.570 1358 K N 8.050 127.995 120.400 -0.757 0.000 2.292 1358 K HA 0.211 4.529 4.320 -0.003 0.000 0.290 1358 K C -0.379 175.753 176.600 -0.780 0.000 1.083 1358 K CA -0.361 55.601 56.287 -0.542 0.000 0.918 1358 K CB 0.310 32.617 32.500 -0.322 0.000 1.089 1358 K HN 0.716 nan 8.250 nan 0.000 0.473 1359 L N 3.778 124.845 121.223 -0.261 0.000 2.540 1359 L HA 0.015 4.354 4.340 -0.003 0.000 0.276 1359 L C 0.523 177.393 176.870 0.000 0.000 1.212 1359 L CA 0.737 55.597 54.840 0.033 0.000 0.893 1359 L CB 0.197 42.351 42.059 0.160 0.000 1.138 1359 L HN 0.473 nan 8.230 nan 0.000 0.491 1360 K N 3.362 123.817 120.400 0.092 0.000 2.259 1360 K HA 0.364 4.682 4.320 -0.003 0.000 0.252 1360 K C -1.190 175.519 176.600 0.182 0.000 0.936 1360 K CA -0.696 55.648 56.287 0.095 0.000 0.810 1360 K CB 1.608 34.143 32.500 0.059 0.000 1.143 1360 K HN 0.285 nan 8.250 nan 0.000 0.427 1361 F N 4.419 124.374 119.950 0.008 0.000 2.308 1361 F HA 0.371 4.897 4.527 -0.003 0.000 0.370 1361 F C -1.310 174.468 175.800 -0.037 0.000 1.100 1361 F CA -1.170 56.814 58.000 -0.026 0.000 1.108 1361 F CB 0.652 39.638 39.000 -0.022 0.000 1.293 1361 F HN 0.526 nan 8.300 nan 0.000 0.478 1362 D N 7.931 128.110 120.400 -0.368 0.000 2.375 1362 D HA 0.390 5.029 4.640 -0.003 0.000 0.241 1362 D C -2.504 173.520 176.300 -0.460 0.000 1.361 1362 D CA -1.917 51.809 54.000 -0.457 0.000 0.995 1362 D CB 2.145 42.853 40.800 -0.153 0.000 1.312 1362 D HN 0.178 nan 8.370 nan 0.000 0.576 1363 P HA -0.096 nan 4.420 nan 0.000 0.221 1363 P C 0.783 177.484 177.300 -0.999 0.000 1.145 1363 P CA 0.691 63.370 63.100 -0.702 0.000 0.795 1363 P CB 0.268 31.447 31.700 -0.868 0.000 0.775 1364 E N -0.694 118.981 120.200 -0.875 0.000 2.501 1364 E HA -0.101 4.247 4.350 -0.003 0.000 0.203 1364 E C 1.416 177.774 176.600 -0.404 0.000 1.072 1364 E CA 0.528 56.435 56.400 -0.822 0.000 0.885 1364 E CB -0.392 29.274 29.700 -0.056 0.000 0.813 1364 E HN 0.391 nan 8.360 nan 0.000 0.556 1365 L N -0.462 120.558 121.223 -0.337 0.000 2.416 1365 L HA 0.009 4.347 4.340 -0.003 0.000 0.216 1365 L C 1.873 178.696 176.870 -0.079 0.000 1.098 1365 L CA 0.361 55.125 54.840 -0.126 0.000 0.840 1365 L CB 0.077 42.081 42.059 -0.092 0.000 0.981 1365 L HN 0.122 nan 8.230 nan 0.000 0.462 1366 L N -1.548 119.595 121.223 -0.134 0.000 2.640 1366 L HA 0.107 4.446 4.340 -0.003 0.000 0.230 1366 L C 1.406 178.488 176.870 0.353 0.000 1.123 1366 L CA 0.003 54.873 54.840 0.051 0.000 0.900 1366 L CB -0.120 41.899 42.059 -0.067 0.000 1.146 1366 L HN 0.169 nan 8.230 nan 0.000 0.484 1367 F N 2.423 122.489 119.950 0.193 0.000 2.772 1367 F HA -0.051 4.474 4.527 -0.002 0.000 0.301 1367 F C 0.941 176.835 175.800 0.158 0.000 1.250 1367 F CA -0.076 58.041 58.000 0.195 0.000 1.441 1367 F CB -0.074 39.029 39.000 0.172 0.000 1.112 1367 F HN 0.478 nan 8.300 nan 0.000 0.563 1368 N N -1.704 117.190 118.700 0.323 0.000 2.194 1368 N HA -0.025 4.714 4.740 -0.003 0.000 0.233 1368 N C -0.800 174.819 175.510 0.181 0.000 1.392 1368 N CA -0.127 53.053 53.050 0.216 0.000 0.790 1368 N CB -0.275 38.318 38.487 0.177 0.000 1.291 1368 N HN 0.039 nan 8.380 nan 0.000 0.518 1369 Q N 0.827 120.754 119.800 0.212 0.000 2.331 1369 Q HA 0.290 4.629 4.340 -0.003 0.000 0.267 1369 Q C -0.334 175.797 176.000 0.218 0.000 1.006 1369 Q CA -0.177 55.730 55.803 0.174 0.000 0.818 1369 Q CB 2.182 30.997 28.738 0.128 0.000 1.276 1369 Q HN 0.245 nan 8.270 nan 0.000 0.450 1370 Q N 2.299 122.200 119.800 0.169 0.000 2.684 1370 Q HA 0.063 4.401 4.340 -0.003 0.000 0.233 1370 Q C -1.001 175.110 176.000 0.185 0.000 1.352 1370 Q CA 0.139 56.036 55.803 0.157 0.000 0.872 1370 Q CB -0.332 28.470 28.738 0.106 0.000 1.674 1370 Q HN 0.312 nan 8.270 nan 0.000 0.558 1371 F N 1.460 121.424 119.950 0.023 0.000 2.458 1371 F HA 0.243 4.768 4.527 -0.003 0.000 0.336 1371 F C -0.347 175.385 175.800 -0.114 0.000 1.114 1371 F CA -0.967 56.973 58.000 -0.100 0.000 0.987 1371 F CB 1.392 40.248 39.000 -0.240 0.000 1.130 1371 F HN 0.094 nan 8.300 nan 0.000 0.458 1372 Q N 6.374 125.629 119.800 -0.907 0.000 2.472 1372 Q HA 0.046 4.384 4.340 -0.003 0.000 0.227 1372 Q C -0.987 174.377 176.000 -1.058 0.000 1.156 1372 Q CA -0.011 55.373 55.803 -0.699 0.000 0.924 1372 Q CB -0.020 28.476 28.738 -0.403 0.000 1.354 1372 Q HN 0.701 nan 8.270 nan 0.000 0.525 1373 Y N 2.937 122.890 120.300 -0.578 0.000 2.823 1373 Y HA -0.096 4.453 4.550 -0.003 0.000 0.345 1373 Y C 1.054 176.844 175.900 -0.183 0.000 1.154 1373 Y CA 0.336 58.269 58.100 -0.278 0.000 2.010 1373 Y CB -0.145 38.336 38.460 0.034 0.000 2.099 1373 Y HN 0.409 nan 8.280 nan 0.000 0.409 1374 Q N 0.450 120.141 119.800 -0.183 0.000 2.633 1374 Q HA 0.483 4.821 4.340 -0.003 0.000 0.289 1374 Q C -1.973 173.952 176.000 -0.126 0.000 0.940 1374 Q CA -1.277 54.464 55.803 -0.103 0.000 0.785 1374 Q CB 2.231 30.916 28.738 -0.088 0.000 1.467 1374 Q HN 0.375 nan 8.270 nan 0.000 0.401 1375 N N -0.274 118.369 118.700 -0.095 0.000 2.516 1375 N HA 0.501 5.239 4.740 -0.003 0.000 0.268 1375 N C -2.213 173.263 175.510 -0.055 0.000 1.096 1375 N CA -0.447 52.550 53.050 -0.090 0.000 0.954 1375 N CB 2.205 40.632 38.487 -0.101 0.000 1.676 1375 N HN 0.605 nan 8.380 nan 0.000 0.490 1376 R N 3.090 123.574 120.500 -0.027 0.000 2.513 1376 R HA 0.577 4.915 4.340 -0.003 0.000 0.301 1376 R C -1.345 174.999 176.300 0.072 0.000 0.968 1376 R CA -0.534 55.635 56.100 0.115 0.000 0.872 1376 R CB 0.837 31.149 30.300 0.020 0.000 1.177 1376 R HN 0.581 nan 8.270 nan 0.000 0.444 1377 I N 3.505 124.126 120.570 0.085 0.000 2.452 1377 I HA 0.277 4.445 4.170 -0.003 0.000 0.287 1377 I C 0.284 176.462 176.117 0.102 0.000 1.079 1377 I CA 0.393 61.660 61.300 -0.055 0.000 1.387 1377 I CB 1.399 39.324 38.000 -0.126 0.000 1.404 1377 I HN 0.740 nan 8.210 nan 0.000 0.522 1378 A N 4.749 127.516 122.820 -0.090 0.000 2.340 1378 A HA 0.284 4.602 4.320 -0.003 0.000 0.268 1378 A C 1.247 178.779 177.584 -0.085 0.000 1.100 1378 A CA -0.137 51.832 52.037 -0.113 0.000 0.803 1378 A CB 0.939 19.673 19.000 -0.444 0.000 1.043 1378 A HN 0.739 nan 8.150 nan 0.000 0.488 1379 S N 0.696 116.344 115.700 -0.086 0.000 2.359 1379 S HA -0.194 4.275 4.470 -0.003 0.000 0.223 1379 S C 1.790 176.354 174.600 -0.060 0.000 1.039 1379 S CA 2.336 60.407 58.200 -0.214 0.000 1.042 1379 S CB -0.487 62.648 63.200 -0.107 0.000 0.915 1379 S HN 0.814 nan 8.310 nan 0.000 0.439 1380 E N 0.588 120.848 120.200 0.101 0.000 2.045 1380 E HA -0.199 4.150 4.350 -0.003 0.000 0.212 1380 E C 1.630 178.268 176.600 0.063 0.000 1.039 1380 E CA 1.801 58.318 56.400 0.194 0.000 0.860 1380 E CB -0.690 29.226 29.700 0.361 0.000 0.776 1380 E HN 0.567 nan 8.360 nan 0.000 0.467 1381 F N 1.776 121.612 119.950 -0.190 0.000 2.141 1381 F HA -0.333 4.192 4.527 -0.003 0.000 0.300 1381 F C 1.971 177.682 175.800 -0.149 0.000 1.079 1381 F CA 2.047 59.982 58.000 -0.109 0.000 1.264 1381 F CB -0.355 38.397 39.000 -0.414 0.000 1.011 1381 F HN 0.108 nan 8.300 nan 0.000 0.487 1382 N N -0.953 117.599 118.700 -0.247 0.000 2.106 1382 N HA -0.174 4.565 4.740 -0.003 0.000 0.188 1382 N C 1.635 176.538 175.510 -1.012 0.000 1.029 1382 N CA 2.018 54.517 53.050 -0.919 0.000 0.848 1382 N CB -0.189 37.923 38.487 -0.624 0.000 1.007 1382 N HN 0.308 nan 8.380 nan 0.000 0.423 1383 T N 2.685 116.758 114.554 -0.801 0.000 2.643 1383 T HA -0.098 4.250 4.350 -0.003 0.000 0.264 1383 T C 2.055 176.224 174.700 -0.884 0.000 1.045 1383 T CA 1.415 62.849 62.100 -1.109 0.000 1.155 1383 T CB -0.588 67.874 68.868 -0.677 0.000 0.863 1383 T HN 0.234 nan 8.240 nan 0.000 0.420 1384 L N 0.653 121.611 121.223 -0.440 0.000 2.211 1384 L HA -0.208 4.130 4.340 -0.003 0.000 0.216 1384 L C 2.466 179.118 176.870 -0.364 0.000 1.092 1384 L CA 1.778 56.486 54.840 -0.220 0.000 0.767 1384 L CB -1.172 40.817 42.059 -0.117 0.000 0.894 1384 L HN 0.347 nan 8.230 nan 0.000 0.437 1385 Y N 0.950 120.720 120.300 -0.884 0.000 2.181 1385 Y HA -0.187 4.361 4.550 -0.003 0.000 0.288 1385 Y C 1.628 177.084 175.900 -0.740 0.000 1.146 1385 Y CA 0.711 58.121 58.100 -1.149 0.000 1.164 1385 Y CB -0.922 36.747 38.460 -1.319 0.000 0.982 1385 Y HN 0.193 nan 8.280 nan 0.000 0.515 1386 H N 0.944 119.298 119.070 -1.193 0.000 5.055 1386 H HA -0.157 4.397 4.556 -0.003 0.000 0.163 1386 H C -0.578 174.365 175.328 -0.641 0.000 0.878 1386 H CA -0.193 55.157 56.048 -1.163 0.000 1.395 1386 H CB -1.612 27.730 29.762 -0.700 0.000 1.592 1386 H HN 0.498 nan 8.280 nan 0.000 0.926 1387 W N 1.653 122.570 121.300 -0.638 0.000 2.960 1387 W HA 0.136 4.794 4.660 -0.003 0.000 0.442 1387 W C 0.996 177.424 176.519 -0.151 0.000 0.774 1387 W CA -1.067 56.144 57.345 -0.223 0.000 2.207 1387 W CB -1.099 28.385 29.460 0.040 0.000 1.159 1387 W HN 0.695 nan 8.180 nan 0.000 0.845 1388 H N 1.281 120.485 119.070 0.223 0.000 2.321 1388 H HA -0.219 4.336 4.556 -0.003 0.000 0.295 1388 H C -0.229 175.178 175.328 0.132 0.000 1.102 1388 H CA 2.302 58.451 56.048 0.168 0.000 1.266 1388 H CB -1.739 28.106 29.762 0.139 0.000 1.363 1388 H HN -0.056 nan 8.280 nan 0.000 0.492 1389 P HA -0.226 nan 4.420 nan 0.000 0.219 1389 P C 1.354 178.640 177.300 -0.023 0.000 1.151 1389 P CA 1.381 64.489 63.100 0.012 0.000 0.850 1389 P CB -0.143 31.507 31.700 -0.083 0.000 0.784 1390 L N -1.706 119.539 121.223 0.036 0.000 2.042 1390 L HA -0.125 4.213 4.340 -0.003 0.000 0.210 1390 L C 1.685 178.617 176.870 0.104 0.000 1.076 1390 L CA 0.527 55.391 54.840 0.041 0.000 0.749 1390 L CB -0.960 41.191 42.059 0.152 0.000 0.893 1390 L HN 0.032 nan 8.230 nan 0.000 0.432 1391 L N 2.036 123.363 121.223 0.173 0.000 2.601 1391 L HA -0.012 4.326 4.340 -0.003 0.000 0.277 1391 L C -1.570 175.465 176.870 0.274 0.000 1.219 1391 L CA -0.994 53.988 54.840 0.237 0.000 0.915 1391 L CB 0.354 42.645 42.059 0.386 0.000 1.160 1391 L HN -0.071 nan 8.230 nan 0.000 0.494 1392 P HA 0.071 nan 4.420 nan 0.000 0.289 1392 P C -0.496 176.879 177.300 0.125 0.000 1.299 1392 P CA -0.290 62.891 63.100 0.136 0.000 0.766 1392 P CB 0.874 32.478 31.700 -0.160 0.000 1.226 1393 D N -1.800 118.595 120.400 -0.009 0.000 2.355 1393 D HA 0.040 4.679 4.640 -0.003 0.000 0.206 1393 D C 0.738 177.018 176.300 -0.033 0.000 1.010 1393 D CA 1.150 55.157 54.000 0.012 0.000 0.875 1393 D CB 0.470 41.240 40.800 -0.049 0.000 0.966 1393 D HN 0.507 nan 8.370 nan 0.000 0.512 1394 T N -2.294 112.102 114.554 -0.262 0.000 2.841 1394 T HA 0.589 4.937 4.350 -0.003 0.000 0.296 1394 T C -1.179 173.158 174.700 -0.605 0.000 1.166 1394 T CA -0.855 61.066 62.100 -0.298 0.000 1.007 1394 T CB 1.514 70.288 68.868 -0.157 0.000 1.253 1394 T HN -0.184 nan 8.240 nan 0.000 0.511 1395 F N 1.387 121.280 119.950 -0.096 0.000 2.434 1395 F HA 0.418 4.943 4.527 -0.003 0.000 0.355 1395 F C 0.223 175.982 175.800 -0.069 0.000 1.115 1395 F CA -0.958 56.935 58.000 -0.178 0.000 1.010 1395 F CB 1.128 39.630 39.000 -0.829 0.000 1.234 1395 F HN 0.571 nan 8.300 nan 0.000 0.439 1396 N N 5.002 123.756 118.700 0.090 0.000 2.469 1396 N HA 0.349 5.087 4.740 -0.003 0.000 0.239 1396 N C -1.065 174.426 175.510 -0.032 0.000 1.053 1396 N CA -0.464 52.591 53.050 0.009 0.000 0.937 1396 N CB 1.075 39.543 38.487 -0.031 0.000 1.163 1396 N HN 0.285 nan 8.380 nan 0.000 0.509 1397 I N 2.060 122.594 120.570 -0.059 0.000 2.330 1397 I HA 0.229 4.397 4.170 -0.003 0.000 0.286 1397 I C 1.088 177.205 176.117 -0.001 0.000 1.025 1397 I CA 0.020 61.179 61.300 -0.235 0.000 1.197 1397 I CB -0.285 37.389 38.000 -0.543 0.000 1.358 1397 I HN 0.799 nan 8.210 nan 0.000 0.467 1398 E N 3.213 123.397 120.200 -0.027 0.000 3.148 1398 E HA -0.316 4.032 4.350 -0.003 0.000 0.342 1398 E C 0.368 176.967 176.600 -0.002 0.000 1.461 1398 E CA 1.962 58.371 56.400 0.016 0.000 1.588 1398 E CB -0.334 29.410 29.700 0.073 0.000 1.798 1398 E HN 0.689 nan 8.360 nan 0.000 0.512 1399 D N 0.758 121.156 120.400 -0.004 0.000 2.088 1399 D HA -0.093 4.545 4.640 -0.003 0.000 0.196 1399 D C 0.545 176.808 176.300 -0.062 0.000 0.983 1399 D CA 1.213 55.192 54.000 -0.035 0.000 0.846 1399 D CB -0.466 40.308 40.800 -0.044 0.000 0.992 1399 D HN 0.196 nan 8.370 nan 0.000 0.448 1400 Q N 0.558 120.320 119.800 -0.063 0.000 2.523 1400 Q HA -0.039 4.299 4.340 -0.003 0.000 0.322 1400 Q C -0.070 175.745 176.000 -0.307 0.000 1.284 1400 Q CA 1.122 56.787 55.803 -0.230 0.000 1.035 1400 Q CB 0.227 28.791 28.738 -0.289 0.000 1.307 1400 Q HN 0.338 nan 8.270 nan 0.000 0.468 1401 E N 0.059 119.945 120.200 -0.524 0.000 2.304 1401 E HA 0.358 4.706 4.350 -0.003 0.000 0.277 1401 E C -1.442 174.850 176.600 -0.512 0.000 0.898 1401 E CA -0.258 55.930 56.400 -0.354 0.000 0.764 1401 E CB 1.244 30.819 29.700 -0.210 0.000 1.216 1401 E HN 0.386 nan 8.360 nan 0.000 0.419 1402 Y N 0.009 120.267 120.300 -0.071 0.000 2.598 1402 Y HA 0.425 4.974 4.550 -0.003 0.000 0.340 1402 Y C 0.575 176.521 175.900 0.076 0.000 1.038 1402 Y CA -0.772 57.322 58.100 -0.010 0.000 1.100 1402 Y CB 1.912 40.330 38.460 -0.071 0.000 1.281 1402 Y HN 0.437 nan 8.280 nan 0.000 0.488 1403 S N -0.255 115.650 115.700 0.342 0.000 2.681 1403 S HA 0.423 4.891 4.470 -0.003 0.000 0.299 1403 S C 0.276 175.222 174.600 0.578 0.000 1.113 1403 S CA -0.614 57.810 58.200 0.373 0.000 1.013 1403 S CB 0.656 63.995 63.200 0.232 0.000 1.076 1403 S HN 0.475 nan 8.310 nan 0.000 0.534 1404 F N 1.618 121.755 119.950 0.311 0.000 2.069 1404 F HA -0.010 4.515 4.527 -0.003 0.000 0.298 1404 F C 2.281 178.205 175.800 0.207 0.000 1.113 1404 F CA 1.633 59.863 58.000 0.384 0.000 1.214 1404 F CB -1.223 37.942 39.000 0.275 0.000 0.978 1404 F HN 0.558 nan 8.300 nan 0.000 0.474 1405 K N 0.210 120.818 120.400 0.347 0.000 2.173 1405 K HA -0.224 4.094 4.320 -0.003 0.000 0.207 1405 K C 1.873 178.547 176.600 0.123 0.000 1.046 1405 K CA 1.575 57.959 56.287 0.162 0.000 0.929 1405 K CB -0.560 32.013 32.500 0.123 0.000 0.720 1405 K HN 0.433 nan 8.250 nan 0.000 0.453 1406 Q N -0.698 119.231 119.800 0.215 0.000 1.990 1406 Q HA -0.003 4.335 4.340 -0.003 0.000 0.195 1406 Q C 1.873 177.993 176.000 0.199 0.000 0.977 1406 Q CA 0.709 56.644 55.803 0.219 0.000 0.828 1406 Q CB -0.336 28.610 28.738 0.346 0.000 0.896 1406 Q HN 0.112 nan 8.270 nan 0.000 0.447 1407 F N 1.917 121.884 119.950 0.029 0.000 2.048 1407 F HA -0.218 4.307 4.527 -0.003 0.000 0.296 1407 F C 0.950 176.617 175.800 -0.222 0.000 1.109 1407 F CA 1.043 58.938 58.000 -0.174 0.000 1.214 1407 F CB -0.745 38.079 39.000 -0.293 0.000 0.963 1407 F HN 0.071 nan 8.300 nan 0.000 0.491 1408 L N 1.381 122.544 121.223 -0.101 0.000 2.720 1408 L HA -0.261 4.077 4.340 -0.003 0.000 0.289 1408 L C 0.605 177.168 176.870 -0.513 0.000 1.232 1408 L CA 0.784 55.364 54.840 -0.433 0.000 0.915 1408 L CB -1.007 40.587 42.059 -0.775 0.000 1.184 1408 L HN 0.559 nan 8.230 nan 0.000 0.491 1409 Y N 0.572 120.820 120.300 -0.088 0.000 4.236 1409 Y HA -0.305 4.244 4.550 -0.003 0.000 0.220 1409 Y C 0.921 176.718 175.900 -0.172 0.000 1.115 1409 Y CA 0.304 58.333 58.100 -0.118 0.000 1.811 1409 Y CB -1.550 36.881 38.460 -0.048 0.000 1.581 1409 Y HN 0.727 nan 8.280 nan 0.000 0.643 1410 N N 1.704 120.333 118.700 -0.119 0.000 3.228 1410 N HA 0.152 4.890 4.740 -0.003 0.000 0.289 1410 N C 0.217 175.589 175.510 -0.229 0.000 1.419 1410 N CA -0.082 52.886 53.050 -0.136 0.000 1.088 1410 N CB -0.313 38.127 38.487 -0.079 0.000 1.357 1410 N HN 0.528 nan 8.380 nan 0.000 0.504 1411 N N -0.691 117.825 118.700 -0.307 0.000 2.520 1411 N HA -0.104 4.634 4.740 -0.003 0.000 0.185 1411 N C 1.374 176.683 175.510 -0.335 0.000 1.068 1411 N CA 0.201 53.011 53.050 -0.401 0.000 0.911 1411 N CB 0.273 38.397 38.487 -0.604 0.000 0.961 1411 N HN 0.226 nan 8.380 nan 0.000 0.446 1412 S N 1.028 116.583 115.700 -0.242 0.000 2.400 1412 S HA -0.083 4.386 4.470 -0.003 0.000 0.232 1412 S C 1.815 176.370 174.600 -0.076 0.000 1.025 1412 S CA 0.769 58.878 58.200 -0.152 0.000 0.993 1412 S CB -0.073 63.076 63.200 -0.084 0.000 0.808 1412 S HN 0.241 nan 8.310 nan 0.000 0.478 1413 I N 0.923 121.444 120.570 -0.082 0.000 2.069 1413 I HA -0.228 3.940 4.170 -0.003 0.000 0.237 1413 I C 2.314 178.493 176.117 0.103 0.000 1.053 1413 I CA 1.105 62.381 61.300 -0.041 0.000 1.311 1413 I CB -0.528 37.373 38.000 -0.165 0.000 1.030 1413 I HN 0.316 nan 8.210 nan 0.000 0.398 1414 L N 0.870 122.112 121.223 0.032 0.000 1.991 1414 L HA -0.276 4.063 4.340 -0.003 0.000 0.221 1414 L C 2.347 179.205 176.870 -0.020 0.000 1.079 1414 L CA 1.963 56.710 54.840 -0.156 0.000 0.778 1414 L CB -0.915 40.841 42.059 -0.506 0.000 0.893 1414 L HN 0.196 nan 8.230 nan 0.000 0.437 1415 L N -0.891 120.255 121.223 -0.129 0.000 2.042 1415 L HA -0.250 4.088 4.340 -0.003 0.000 0.210 1415 L C 2.684 179.590 176.870 0.059 0.000 1.076 1415 L CA 1.749 56.515 54.840 -0.124 0.000 0.749 1415 L CB -0.560 41.377 42.059 -0.204 0.000 0.893 1415 L HN 0.475 nan 8.230 nan 0.000 0.432 1416 E N -0.472 119.804 120.200 0.127 0.000 2.023 1416 E HA -0.263 4.086 4.350 -0.003 0.000 0.196 1416 E C 2.083 178.846 176.600 0.273 0.000 1.003 1416 E CA 1.911 58.439 56.400 0.213 0.000 0.809 1416 E CB -0.010 29.876 29.700 0.309 0.000 0.755 1416 E HN 0.578 nan 8.360 nan 0.000 0.449 1417 H N -1.353 117.809 119.070 0.154 0.000 2.415 1417 H HA 0.215 4.770 4.556 -0.003 0.000 0.297 1417 H C 0.902 176.336 175.328 0.175 0.000 1.048 1417 H CA 0.981 57.119 56.048 0.150 0.000 1.365 1417 H CB 0.146 29.981 29.762 0.123 0.000 1.421 1417 H HN 0.339 nan 8.280 nan 0.000 0.533 1418 G N -0.544 108.480 108.800 0.373 0.000 2.617 1418 G HA2 -0.165 3.794 3.960 -0.003 0.000 0.686 1418 G HA3 -0.165 3.794 3.960 -0.003 0.000 0.686 1418 G C 0.339 175.395 174.900 0.260 0.000 1.214 1418 G CA -0.215 45.045 45.100 0.267 0.000 0.796 1418 G HN 0.189 nan 8.290 nan 0.000 0.654 1419 L N 1.168 122.461 121.223 0.117 0.000 2.017 1419 L HA -0.118 4.220 4.340 -0.003 0.000 0.208 1419 L C 3.325 180.248 176.870 0.089 0.000 1.073 1419 L CA 3.299 58.152 54.840 0.023 0.000 0.745 1419 L CB -1.728 40.279 42.059 -0.088 0.000 0.894 1419 L HN 0.979 nan 8.230 nan 0.000 0.432 1420 T N -1.615 112.977 114.554 0.062 0.000 2.624 1420 T HA -0.287 4.061 4.350 -0.003 0.000 0.268 1420 T C 1.849 176.598 174.700 0.083 0.000 1.041 1420 T CA 1.189 63.321 62.100 0.054 0.000 1.159 1420 T CB -0.337 68.554 68.868 0.038 0.000 0.863 1420 T HN 0.212 nan 8.240 nan 0.000 0.434 1421 Q N 0.242 120.110 119.800 0.112 0.000 1.975 1421 Q HA -0.021 4.317 4.340 -0.003 0.000 0.205 1421 Q C 2.149 178.173 176.000 0.040 0.000 0.990 1421 Q CA 1.452 57.303 55.803 0.081 0.000 0.845 1421 Q CB -0.919 27.886 28.738 0.112 0.000 0.913 1421 Q HN 0.551 nan 8.270 nan 0.000 0.420 1422 F N 0.268 120.149 119.950 -0.114 0.000 2.063 1422 F HA -0.362 4.164 4.527 -0.003 0.000 0.296 1422 F C 2.430 178.114 175.800 -0.193 0.000 1.093 1422 F CA 1.679 59.499 58.000 -0.300 0.000 1.229 1422 F CB -0.794 38.072 39.000 -0.222 0.000 0.971 1422 F HN -0.087 nan 8.300 nan 0.000 0.491 1423 V N -0.147 119.861 119.914 0.157 0.000 2.221 1423 V HA -0.358 3.761 4.120 -0.003 0.000 0.244 1423 V C 2.133 178.300 176.094 0.122 0.000 1.043 1423 V CA 2.294 64.670 62.300 0.126 0.000 0.996 1423 V CB -0.973 30.881 31.823 0.052 0.000 0.636 1423 V HN 0.324 nan 8.190 nan 0.000 0.454 1424 E N 0.492 120.744 120.200 0.085 0.000 2.119 1424 E HA -0.303 4.045 4.350 -0.003 0.000 0.221 1424 E C 2.294 178.950 176.600 0.094 0.000 1.062 1424 E CA 2.222 58.679 56.400 0.095 0.000 0.894 1424 E CB -0.474 29.267 29.700 0.069 0.000 0.785 1424 E HN 0.572 nan 8.360 nan 0.000 0.472 1425 S N 0.518 116.227 115.700 0.016 0.000 2.392 1425 S HA -0.197 4.271 4.470 -0.003 0.000 0.225 1425 S C 1.744 176.428 174.600 0.141 0.000 1.041 1425 S CA 1.474 59.661 58.200 -0.020 0.000 1.100 1425 S CB -0.548 62.502 63.200 -0.249 0.000 1.029 1425 S HN 0.180 nan 8.310 nan 0.000 0.424 1426 F N 2.224 122.242 119.950 0.113 0.000 2.250 1426 F HA -0.079 4.446 4.527 -0.003 0.000 0.301 1426 F C 2.649 178.553 175.800 0.173 0.000 1.077 1426 F CA 0.710 58.822 58.000 0.187 0.000 1.348 1426 F CB -1.817 37.348 39.000 0.275 0.000 1.040 1426 F HN 0.183 nan 8.300 nan 0.000 0.509 1427 T N 0.326 115.072 114.554 0.321 0.000 3.098 1427 T HA -0.125 4.223 4.350 -0.003 0.000 0.266 1427 T C 1.895 176.725 174.700 0.216 0.000 1.145 1427 T CA 1.148 63.388 62.100 0.233 0.000 1.092 1427 T CB -0.155 68.825 68.868 0.187 0.000 0.908 1427 T HN 0.466 nan 8.240 nan 0.000 0.526 1428 R N 0.813 121.436 120.500 0.204 0.000 2.320 1428 R HA 0.205 4.544 4.340 -0.003 0.000 0.193 1428 R C 1.280 177.663 176.300 0.137 0.000 0.885 1428 R CA -0.208 55.982 56.100 0.150 0.000 1.085 1428 R CB -0.325 30.040 30.300 0.107 0.000 1.253 1428 R HN 0.248 nan 8.270 nan 0.000 0.636 1429 Q N 2.848 122.749 119.800 0.169 0.000 2.504 1429 Q HA -0.015 4.323 4.340 -0.003 0.000 0.263 1429 Q C -0.035 176.039 176.000 0.124 0.000 1.343 1429 Q CA -0.183 55.701 55.803 0.136 0.000 0.924 1429 Q CB -0.351 28.511 28.738 0.206 0.000 1.551 1429 Q HN 0.352 nan 8.270 nan 0.000 0.520 1430 I N 2.509 123.135 120.570 0.094 0.000 3.115 1430 I HA -0.127 4.041 4.170 -0.003 0.000 0.315 1430 I C -0.326 175.902 176.117 0.185 0.000 1.211 1430 I CA 0.892 62.263 61.300 0.119 0.000 1.453 1430 I CB 0.467 38.539 38.000 0.120 0.000 1.307 1430 I HN 0.645 nan 8.210 nan 0.000 0.568 1431 A N 5.841 128.754 122.820 0.156 0.000 2.320 1431 A HA 0.718 5.036 4.320 -0.003 0.000 0.334 1431 A C 0.248 177.877 177.584 0.075 0.000 1.147 1431 A CA -0.160 51.970 52.037 0.154 0.000 0.820 1431 A CB 0.593 19.627 19.000 0.056 0.000 1.218 1431 A HN 1.068 nan 8.150 nan 0.000 0.482 1432 G N 0.705 109.476 108.800 -0.048 0.000 2.398 1432 G HA2 0.373 4.331 3.960 -0.003 0.000 0.246 1432 G HA3 0.373 4.331 3.960 -0.003 0.000 0.246 1432 G C 0.431 175.100 174.900 -0.384 0.000 1.289 1432 G CA -0.374 44.417 45.100 -0.516 0.000 0.869 1432 G HN 0.869 nan 8.290 nan 0.000 0.543 1433 R N 0.959 121.200 120.500 -0.431 0.000 2.861 1433 R HA 0.145 4.483 4.340 -0.003 0.000 0.268 1433 R C 0.455 176.539 176.300 -0.360 0.000 1.027 1433 R CA -0.129 55.738 56.100 -0.388 0.000 1.163 1433 R CB 0.578 30.680 30.300 -0.330 0.000 1.060 1433 R HN 0.297 nan 8.270 nan 0.000 0.483 1434 V N 1.315 120.993 119.914 -0.393 0.000 3.371 1434 V HA 0.074 4.192 4.120 -0.003 0.000 0.246 1434 V C 1.428 177.407 176.094 -0.191 0.000 1.303 1434 V CA 1.071 63.197 62.300 -0.291 0.000 1.156 1434 V CB 0.478 32.082 31.823 -0.366 0.000 0.929 1434 V HN 0.887 nan 8.190 nan 0.000 0.459 1435 A N 0.676 123.379 122.820 -0.195 0.000 2.030 1435 A HA 0.201 4.519 4.320 -0.003 0.000 0.215 1435 A C 2.260 179.780 177.584 -0.108 0.000 1.164 1435 A CA 1.356 53.334 52.037 -0.097 0.000 0.697 1435 A CB -0.822 18.155 19.000 -0.040 0.000 0.827 1435 A HN 0.483 nan 8.150 nan 0.000 0.457 1436 G N -0.043 108.674 108.800 -0.140 0.000 2.574 1436 G HA2 0.238 4.196 3.960 -0.003 0.000 0.220 1436 G HA3 0.238 4.196 3.960 -0.003 0.000 0.220 1436 G C 1.001 175.839 174.900 -0.103 0.000 1.173 1436 G CA 1.170 46.197 45.100 -0.122 0.000 0.772 1436 G HN 1.822 nan 8.290 nan 0.000 0.585 1437 G N -2.168 106.567 108.800 -0.109 0.000 2.335 1437 G HA2 0.372 4.331 3.960 -0.003 0.000 0.592 1437 G HA3 0.372 4.331 3.960 -0.003 0.000 0.592 1437 G C -0.012 174.835 174.900 -0.088 0.000 1.442 1437 G CA -0.162 44.884 45.100 -0.091 0.000 0.976 1437 G HN 1.122 nan 8.290 nan 0.000 0.652 1438 R N -0.549 119.909 120.500 -0.070 0.000 2.828 1438 R HA -0.250 4.088 4.340 -0.003 0.000 0.233 1438 R C 0.148 176.404 176.300 -0.072 0.000 0.821 1438 R CA 1.123 57.188 56.100 -0.058 0.000 0.563 1438 R CB -1.179 29.092 30.300 -0.048 0.000 1.117 1438 R HN 0.535 nan 8.270 nan 0.000 0.508 1439 N N 0.167 118.818 118.700 -0.081 0.000 2.451 1439 N HA 0.116 4.854 4.740 -0.003 0.000 0.271 1439 N C -1.213 174.259 175.510 -0.063 0.000 1.410 1439 N CA -0.249 52.735 53.050 -0.110 0.000 0.884 1439 N CB 1.190 39.567 38.487 -0.185 0.000 1.332 1439 N HN 0.189 nan 8.380 nan 0.000 0.498 1440 V N 2.494 122.397 119.914 -0.018 0.000 2.348 1440 V HA 0.426 4.544 4.120 -0.003 0.000 0.270 1440 V C -1.971 174.125 176.094 0.004 0.000 1.037 1440 V CA -1.763 60.557 62.300 0.032 0.000 0.872 1440 V CB 1.101 32.960 31.823 0.059 0.000 1.002 1440 V HN 0.141 nan 8.190 nan 0.000 0.464 1441 P HA -0.025 nan 4.420 nan 0.000 0.264 1441 P C 0.710 177.941 177.300 -0.115 0.000 1.173 1441 P CA 0.294 63.355 63.100 -0.065 0.000 0.761 1441 P CB 0.589 32.268 31.700 -0.034 0.000 0.794 1442 I N 2.400 122.870 120.570 -0.166 0.000 2.617 1442 I HA -0.144 4.024 4.170 -0.003 0.000 0.256 1442 I C 2.252 178.275 176.117 -0.156 0.000 1.167 1442 I CA 1.422 62.641 61.300 -0.134 0.000 1.469 1442 I CB -1.172 36.759 38.000 -0.116 0.000 1.098 1442 I HN 0.359 nan 8.210 nan 0.000 0.436 1443 A N 0.026 122.677 122.820 -0.281 0.000 1.902 1443 A HA -0.128 4.191 4.320 -0.003 0.000 0.217 1443 A C 2.329 179.879 177.584 -0.056 0.000 1.181 1443 A CA 1.600 53.509 52.037 -0.215 0.000 0.623 1443 A CB -0.993 17.716 19.000 -0.484 0.000 0.818 1443 A HN 0.229 nan 8.150 nan 0.000 0.443 1444 V N 0.414 120.301 119.914 -0.046 0.000 3.444 1444 V HA -0.215 3.904 4.120 -0.003 0.000 0.271 1444 V C 2.241 178.268 176.094 -0.112 0.000 1.188 1444 V CA 1.365 63.650 62.300 -0.025 0.000 1.168 1444 V CB -0.848 30.976 31.823 0.003 0.000 0.810 1444 V HN 0.615 nan 8.190 nan 0.000 0.500 1445 Q N 0.365 120.116 119.800 -0.081 0.000 1.968 1445 Q HA -0.407 3.931 4.340 -0.003 0.000 0.216 1445 Q C 2.402 178.358 176.000 -0.073 0.000 1.037 1445 Q CA 2.873 58.635 55.803 -0.068 0.000 0.889 1445 Q CB -0.461 28.247 28.738 -0.050 0.000 0.998 1445 Q HN 0.641 nan 8.270 nan 0.000 0.417 1446 A N -0.130 122.657 122.820 -0.055 0.000 1.894 1446 A HA -0.277 4.041 4.320 -0.003 0.000 0.220 1446 A C 2.243 179.776 177.584 -0.086 0.000 1.237 1446 A CA 2.411 54.418 52.037 -0.051 0.000 0.660 1446 A CB -1.312 17.670 19.000 -0.029 0.000 0.835 1446 A HN 0.353 nan 8.150 nan 0.000 0.461 1447 V N -0.490 119.345 119.914 -0.131 0.000 2.221 1447 V HA -0.310 3.809 4.120 -0.003 0.000 0.244 1447 V C 3.066 179.018 176.094 -0.237 0.000 1.043 1447 V CA 2.627 64.802 62.300 -0.209 0.000 0.996 1447 V CB -1.458 30.182 31.823 -0.305 0.000 0.636 1447 V HN 0.751 nan 8.190 nan 0.000 0.454 1448 A N -0.805 121.810 122.820 -0.342 0.000 1.985 1448 A HA -0.386 3.932 4.320 -0.003 0.000 0.223 1448 A C 2.327 179.950 177.584 0.064 0.000 1.189 1448 A CA 2.730 54.741 52.037 -0.045 0.000 0.658 1448 A CB -0.705 18.313 19.000 0.030 0.000 0.820 1448 A HN 0.577 nan 8.150 nan 0.000 0.464 1449 K N -0.657 119.741 120.400 -0.003 0.000 2.002 1449 K HA -0.118 4.200 4.320 -0.003 0.000 0.209 1449 K C 2.321 178.916 176.600 -0.007 0.000 1.048 1449 K CA 1.297 57.596 56.287 0.020 0.000 0.930 1449 K CB -0.428 32.071 32.500 -0.002 0.000 0.714 1449 K HN 0.404 nan 8.250 nan 0.000 0.438 1450 A N 1.232 124.019 122.820 -0.055 0.000 1.869 1450 A HA -0.233 4.085 4.320 -0.003 0.000 0.218 1450 A C 2.154 179.670 177.584 -0.113 0.000 1.203 1450 A CA 2.629 54.623 52.037 -0.073 0.000 0.638 1450 A CB -1.072 17.873 19.000 -0.093 0.000 0.831 1450 A HN 0.474 nan 8.150 nan 0.000 0.450 1451 S N -0.079 115.496 115.700 -0.207 0.000 2.421 1451 S HA -0.268 4.200 4.470 -0.003 0.000 0.239 1451 S C 1.676 176.091 174.600 -0.308 0.000 1.054 1451 S CA 2.020 59.988 58.200 -0.387 0.000 1.035 1451 S CB -0.704 62.066 63.200 -0.717 0.000 0.840 1451 S HN 0.557 nan 8.310 nan 0.000 0.475 1452 I N 1.583 122.120 120.570 -0.056 0.000 2.270 1452 I HA -0.080 4.088 4.170 -0.003 0.000 0.239 1452 I C 2.092 178.212 176.117 0.004 0.000 1.080 1452 I CA 0.897 62.235 61.300 0.063 0.000 1.383 1452 I CB -0.499 37.597 38.000 0.160 0.000 1.097 1452 I HN 0.053 nan 8.210 nan 0.000 0.420 1453 D N 1.256 121.657 120.400 0.003 0.000 2.154 1453 D HA -0.246 4.393 4.640 -0.003 0.000 0.190 1453 D C 2.087 178.382 176.300 -0.008 0.000 1.003 1453 D CA 1.542 55.543 54.000 0.002 0.000 0.849 1453 D CB -0.590 40.208 40.800 -0.003 0.000 0.942 1453 D HN 0.491 nan 8.370 nan 0.000 0.446 1454 Q N 0.841 120.620 119.800 -0.035 0.000 1.935 1454 Q HA -0.163 4.175 4.340 -0.003 0.000 0.212 1454 Q C 2.443 178.432 176.000 -0.018 0.000 1.008 1454 Q CA 1.922 57.705 55.803 -0.032 0.000 0.868 1454 Q CB -0.680 28.021 28.738 -0.061 0.000 0.946 1454 Q HN 0.282 nan 8.270 nan 0.000 0.418 1455 S N 1.309 116.936 115.700 -0.121 0.000 2.421 1455 S HA -0.263 4.205 4.470 -0.003 0.000 0.239 1455 S C 1.866 176.536 174.600 0.116 0.000 1.054 1455 S CA 1.810 59.913 58.200 -0.162 0.000 1.035 1455 S CB -0.445 62.393 63.200 -0.604 0.000 0.840 1455 S HN 0.285 nan 8.310 nan 0.000 0.475 1456 R N 1.391 121.924 120.500 0.054 0.000 2.062 1456 R HA -0.073 4.265 4.340 -0.003 0.000 0.231 1456 R C 2.593 178.940 176.300 0.079 0.000 1.136 1456 R CA 1.707 57.856 56.100 0.082 0.000 0.948 1456 R CB -0.366 29.965 30.300 0.052 0.000 0.845 1456 R HN 0.669 nan 8.270 nan 0.000 0.430 1457 E N 0.683 120.915 120.200 0.053 0.000 2.049 1457 E HA -0.238 4.110 4.350 -0.003 0.000 0.198 1457 E C 1.505 178.126 176.600 0.035 0.000 1.007 1457 E CA 1.438 57.860 56.400 0.035 0.000 0.809 1457 E CB -0.332 29.379 29.700 0.019 0.000 0.749 1457 E HN 0.321 nan 8.360 nan 0.000 0.450 1458 M N 1.432 121.070 119.600 0.064 0.000 2.826 1458 M HA 0.001 4.479 4.480 -0.003 0.000 0.217 1458 M C -0.425 175.921 176.300 0.077 0.000 1.049 1458 M CA 0.415 55.745 55.300 0.050 0.000 1.052 1458 M CB -0.297 32.388 32.600 0.141 0.000 1.709 1458 M HN -0.083 nan 8.290 nan 0.000 0.529 1459 K N -0.509 119.942 120.400 0.085 0.000 3.264 1459 K HA -0.229 4.089 4.320 -0.003 0.000 0.267 1459 K C -0.634 176.046 176.600 0.132 0.000 0.886 1459 K CA 0.926 57.264 56.287 0.085 0.000 0.665 1459 K CB -2.399 30.113 32.500 0.020 0.000 1.447 1459 K HN 0.399 nan 8.250 nan 0.000 0.464 1460 Y N 0.893 121.235 120.300 0.070 0.000 2.641 1460 Y HA -0.137 4.411 4.550 -0.003 0.000 0.351 1460 Y C 1.871 177.899 175.900 0.213 0.000 1.269 1460 Y CA 0.876 59.075 58.100 0.165 0.000 1.485 1460 Y CB 0.463 38.995 38.460 0.120 0.000 1.364 1460 Y HN 0.219 nan 8.280 nan 0.000 0.651 1461 Q N 0.070 120.191 119.800 0.536 0.000 2.162 1461 Q HA 0.285 4.623 4.340 -0.003 0.000 0.197 1461 Q C -0.220 175.993 176.000 0.355 0.000 1.013 1461 Q CA -0.749 55.204 55.803 0.250 0.000 1.040 1461 Q CB 1.224 29.857 28.738 -0.175 0.000 1.114 1461 Q HN 0.722 nan 8.270 nan 0.000 0.547 1462 S N -0.193 115.604 115.700 0.163 0.000 2.579 1462 S HA -0.017 4.451 4.470 -0.003 0.000 0.275 1462 S C 0.888 175.628 174.600 0.232 0.000 1.345 1462 S CA -0.349 57.949 58.200 0.163 0.000 1.031 1462 S CB 0.450 63.691 63.200 0.068 0.000 0.892 1462 S HN 0.632 nan 8.310 nan 0.000 0.529 1463 L N 3.785 125.111 121.223 0.172 0.000 2.201 1463 L HA -0.011 4.327 4.340 -0.003 0.000 0.212 1463 L C 1.914 178.828 176.870 0.072 0.000 1.105 1463 L CA 1.859 56.787 54.840 0.147 0.000 0.775 1463 L CB -0.634 41.446 42.059 0.036 0.000 0.913 1463 L HN 0.854 nan 8.230 nan 0.000 0.440 1464 N N -0.913 117.795 118.700 0.014 0.000 2.270 1464 N HA -0.147 4.591 4.740 -0.003 0.000 0.181 1464 N C 1.547 177.038 175.510 -0.032 0.000 1.016 1464 N CA 0.830 53.855 53.050 -0.042 0.000 0.870 1464 N CB 0.098 38.555 38.487 -0.050 0.000 0.979 1464 N HN 0.374 nan 8.380 nan 0.000 0.431 1465 E N 0.562 120.748 120.200 -0.024 0.000 2.015 1465 E HA -0.150 4.198 4.350 -0.003 0.000 0.191 1465 E C 1.534 178.080 176.600 -0.090 0.000 0.991 1465 E CA 1.212 57.548 56.400 -0.106 0.000 0.802 1465 E CB -0.643 28.936 29.700 -0.202 0.000 0.759 1465 E HN 0.491 nan 8.360 nan 0.000 0.447 1466 Y N 1.021 121.347 120.300 0.043 0.000 2.465 1466 Y HA -0.125 4.423 4.550 -0.003 0.000 0.289 1466 Y C 2.524 178.454 175.900 0.050 0.000 1.150 1466 Y CA 1.013 59.162 58.100 0.082 0.000 1.293 1466 Y CB -0.122 38.371 38.460 0.056 0.000 0.977 1466 Y HN -0.009 nan 8.280 nan 0.000 0.556 1467 R N -0.034 120.526 120.500 0.100 0.000 2.055 1467 R HA -0.086 4.253 4.340 -0.003 0.000 0.226 1467 R C 2.218 178.539 176.300 0.035 0.000 1.135 1467 R CA 1.024 57.124 56.100 -0.001 0.000 0.959 1467 R CB -0.121 30.099 30.300 -0.134 0.000 0.854 1467 R HN 0.219 nan 8.270 nan 0.000 0.431 1468 K N 0.227 120.625 120.400 -0.003 0.000 2.044 1468 K HA -0.213 4.105 4.320 -0.003 0.000 0.210 1468 K C 2.147 178.757 176.600 0.016 0.000 1.049 1468 K CA 1.193 57.468 56.287 -0.020 0.000 0.927 1468 K CB -0.177 32.288 32.500 -0.058 0.000 0.713 1468 K HN -0.087 nan 8.250 nan 0.000 0.443 1469 R N 1.088 121.618 120.500 0.050 0.000 2.136 1469 R HA -0.153 4.185 4.340 -0.003 0.000 0.242 1469 R C 1.286 177.591 176.300 0.009 0.000 1.131 1469 R CA 1.750 57.880 56.100 0.049 0.000 0.937 1469 R CB -1.047 29.375 30.300 0.205 0.000 0.863 1469 R HN 0.202 nan 8.270 nan 0.000 0.435 1470 F N 1.445 121.349 119.950 -0.077 0.000 2.811 1470 F HA 0.084 4.609 4.527 -0.003 0.000 0.292 1470 F C 0.590 176.354 175.800 -0.060 0.000 1.240 1470 F CA 0.285 58.227 58.000 -0.097 0.000 1.422 1470 F CB -0.324 38.608 39.000 -0.115 0.000 1.045 1470 F HN 0.038 nan 8.300 nan 0.000 0.512 1471 S N -0.020 115.720 115.700 0.067 0.000 3.550 1471 S HA -0.246 4.223 4.470 -0.003 0.000 0.372 1471 S C -0.388 174.249 174.600 0.061 0.000 0.966 1471 S CA 0.121 58.356 58.200 0.058 0.000 1.229 1471 S CB -2.489 60.764 63.200 0.089 0.000 0.917 1471 S HN 0.434 nan 8.310 nan 0.000 0.496 1472 L N 0.422 121.666 121.223 0.035 0.000 2.341 1472 L HA 0.457 4.796 4.340 -0.003 0.000 0.278 1472 L C 0.611 177.446 176.870 -0.059 0.000 1.005 1472 L CA -1.036 53.797 54.840 -0.011 0.000 0.818 1472 L CB 1.120 43.152 42.059 -0.045 0.000 1.259 1472 L HN 0.059 nan 8.230 nan 0.000 0.418 1473 K N 3.939 124.306 120.400 -0.056 0.000 2.451 1473 K HA 0.167 4.485 4.320 -0.003 0.000 0.280 1473 K C -2.254 174.261 176.600 -0.141 0.000 1.020 1473 K CA -1.324 54.927 56.287 -0.060 0.000 1.008 1473 K CB 0.380 32.870 32.500 -0.017 0.000 0.917 1473 K HN 0.273 nan 8.250 nan 0.000 0.478 1474 P HA 0.048 nan 4.420 nan 0.000 0.272 1474 P C -0.593 176.646 177.300 -0.102 0.000 1.230 1474 P CA -0.071 62.930 63.100 -0.166 0.000 0.788 1474 P CB 0.341 31.986 31.700 -0.090 0.000 0.949 1475 Y N 0.262 120.523 120.300 -0.065 0.000 2.436 1475 Y HA 0.027 4.575 4.550 -0.003 0.000 0.336 1475 Y C 2.242 178.083 175.900 -0.099 0.000 1.049 1475 Y CA -0.281 57.768 58.100 -0.085 0.000 1.294 1475 Y CB 0.587 38.971 38.460 -0.126 0.000 1.179 1475 Y HN 0.418 nan 8.280 nan 0.000 0.520 1476 T N -1.272 113.358 114.554 0.126 0.000 3.055 1476 T HA 0.008 4.357 4.350 -0.003 0.000 0.265 1476 T C 0.386 175.104 174.700 0.031 0.000 1.111 1476 T CA 0.561 62.692 62.100 0.052 0.000 1.118 1476 T CB -0.046 68.854 68.868 0.053 0.000 0.909 1476 T HN 0.495 nan 8.240 nan 0.000 0.501 1477 S N -1.032 114.673 115.700 0.010 0.000 2.537 1477 S HA 0.528 4.997 4.470 -0.003 0.000 0.271 1477 S C -0.082 174.510 174.600 -0.013 0.000 1.148 1477 S CA -0.919 57.308 58.200 0.045 0.000 0.868 1477 S CB 0.411 63.655 63.200 0.074 0.000 1.115 1477 S HN -0.054 nan 8.310 nan 0.000 0.461 1478 F N 1.343 121.263 119.950 -0.050 0.000 2.202 1478 F HA 0.038 4.563 4.527 -0.003 0.000 0.301 1478 F C 2.500 178.222 175.800 -0.130 0.000 1.082 1478 F CA 1.671 59.616 58.000 -0.091 0.000 1.313 1478 F CB -0.444 38.514 39.000 -0.069 0.000 1.024 1478 F HN 0.814 nan 8.300 nan 0.000 0.495 1479 E N 0.120 120.379 120.200 0.099 0.000 2.204 1479 E HA -0.239 4.109 4.350 -0.003 0.000 0.195 1479 E C 2.165 178.708 176.600 -0.095 0.000 0.990 1479 E CA 1.112 57.512 56.400 -0.000 0.000 0.821 1479 E CB -0.060 29.647 29.700 0.011 0.000 0.750 1479 E HN 0.549 nan 8.360 nan 0.000 0.477 1480 E N -0.016 120.095 120.200 -0.149 0.000 2.072 1480 E HA -0.184 4.164 4.350 -0.003 0.000 0.190 1480 E C 2.084 178.329 176.600 -0.591 0.000 0.982 1480 E CA 0.819 57.057 56.400 -0.269 0.000 0.803 1480 E CB -0.081 29.501 29.700 -0.196 0.000 0.755 1480 E HN 0.254 nan 8.360 nan 0.000 0.453 1481 L N 0.730 121.502 121.223 -0.752 0.000 2.191 1481 L HA -0.106 4.232 4.340 -0.003 0.000 0.212 1481 L C 1.888 178.507 176.870 -0.420 0.000 1.103 1481 L CA 2.516 56.793 54.840 -0.938 0.000 0.769 1481 L CB -0.448 41.323 42.059 -0.480 0.000 0.908 1481 L HN 0.288 nan 8.230 nan 0.000 0.438 1482 T N -4.551 109.854 114.554 -0.248 0.000 2.999 1482 T HA 0.516 4.865 4.350 -0.003 0.000 0.247 1482 T C 1.544 176.176 174.700 -0.114 0.000 1.012 1482 T CA 0.354 62.371 62.100 -0.139 0.000 1.048 1482 T CB 0.266 69.087 68.868 -0.078 0.000 1.020 1482 T HN 0.502 nan 8.240 nan 0.000 0.478 1483 G N 2.580 111.310 108.800 -0.117 0.000 3.909 1483 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.218 1483 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.218 1483 G C 0.177 175.043 174.900 -0.056 0.000 1.404 1483 G CA 0.228 45.280 45.100 -0.081 0.000 0.905 1483 G HN 0.949 nan 8.290 nan 0.000 0.589 1484 E N 1.810 121.978 120.200 -0.053 0.000 2.422 1484 E HA 0.562 4.910 4.350 -0.003 0.000 0.260 1484 E C 0.957 177.537 176.600 -0.034 0.000 1.108 1484 E CA 0.578 56.953 56.400 -0.041 0.000 0.943 1484 E CB 0.463 30.137 29.700 -0.042 0.000 0.961 1484 E HN 0.581 nan 8.360 nan 0.000 0.443 1485 K N 0.586 120.968 120.400 -0.029 0.000 2.334 1485 K HA 0.020 4.338 4.320 -0.003 0.000 0.195 1485 K C 1.381 177.964 176.600 -0.029 0.000 1.045 1485 K CA -0.117 56.156 56.287 -0.024 0.000 1.004 1485 K CB 0.140 32.627 32.500 -0.022 0.000 0.837 1485 K HN 0.459 nan 8.250 nan 0.000 0.510 1486 E N 1.855 122.037 120.200 -0.030 0.000 1.964 1486 E HA -0.183 4.165 4.350 -0.003 0.000 0.209 1486 E C 1.949 178.528 176.600 -0.035 0.000 0.988 1486 E CA 1.553 57.934 56.400 -0.032 0.000 0.875 1486 E CB -0.173 29.508 29.700 -0.032 0.000 0.813 1486 E HN 0.150 nan 8.360 nan 0.000 0.533 1487 M N 0.422 120.003 119.600 -0.032 0.000 2.113 1487 M HA -0.325 4.154 4.480 -0.003 0.000 0.255 1487 M C 2.399 178.684 176.300 -0.026 0.000 1.073 1487 M CA 2.129 57.413 55.300 -0.027 0.000 1.091 1487 M CB -0.672 31.913 32.600 -0.025 0.000 1.309 1487 M HN 0.251 nan 8.290 nan 0.000 0.407 1488 A N 0.584 123.398 122.820 -0.010 0.000 1.873 1488 A HA -0.287 4.031 4.320 -0.003 0.000 0.219 1488 A C 2.409 179.937 177.584 -0.094 0.000 1.269 1488 A CA 3.114 55.163 52.037 0.020 0.000 0.671 1488 A CB -1.497 17.523 19.000 0.032 0.000 0.842 1488 A HN 0.599 nan 8.150 nan 0.000 0.460 1489 A N -0.769 121.999 122.820 -0.087 0.000 1.917 1489 A HA -0.230 4.088 4.320 -0.003 0.000 0.219 1489 A C 1.976 179.470 177.584 -0.149 0.000 1.182 1489 A CA 2.544 54.507 52.037 -0.123 0.000 0.633 1489 A CB -0.647 18.309 19.000 -0.073 0.000 0.819 1489 A HN 0.715 nan 8.150 nan 0.000 0.448 1490 E N 0.031 120.172 120.200 -0.099 0.000 2.118 1490 E HA -0.159 4.189 4.350 -0.003 0.000 0.195 1490 E C 1.753 178.296 176.600 -0.095 0.000 0.992 1490 E CA 1.514 57.868 56.400 -0.077 0.000 0.804 1490 E CB -0.400 29.275 29.700 -0.042 0.000 0.741 1490 E HN 0.608 nan 8.360 nan 0.000 0.458 1491 L N -0.024 121.121 121.223 -0.130 0.000 2.044 1491 L HA -0.074 4.264 4.340 -0.003 0.000 0.205 1491 L C 2.460 179.067 176.870 -0.438 0.000 1.075 1491 L CA 1.336 56.106 54.840 -0.117 0.000 0.747 1491 L CB -0.428 41.647 42.059 0.028 0.000 0.903 1491 L HN 0.095 nan 8.230 nan 0.000 0.435 1492 K N 0.814 120.617 120.400 -0.995 0.000 2.228 1492 K HA -0.206 4.113 4.320 -0.003 0.000 0.205 1492 K C 1.835 178.177 176.600 -0.430 0.000 1.045 1492 K CA 1.585 57.163 56.287 -1.182 0.000 0.931 1492 K CB -0.292 31.731 32.500 -0.794 0.000 0.727 1492 K HN 0.289 nan 8.250 nan 0.000 0.458 1493 A N 0.513 123.175 122.820 -0.262 0.000 1.858 1493 A HA -0.088 4.230 4.320 -0.003 0.000 0.216 1493 A C 2.229 179.767 177.584 -0.077 0.000 1.190 1493 A CA 1.676 53.637 52.037 -0.127 0.000 0.617 1493 A CB -0.667 18.279 19.000 -0.091 0.000 0.827 1493 A HN 0.318 nan 8.150 nan 0.000 0.443 1494 L N -2.633 118.567 121.223 -0.039 0.000 2.072 1494 L HA -0.134 4.204 4.340 -0.003 0.000 0.205 1494 L C 2.471 179.333 176.870 -0.013 0.000 1.079 1494 L CA 1.289 56.126 54.840 -0.005 0.000 0.752 1494 L CB -0.378 41.723 42.059 0.070 0.000 0.906 1494 L HN 0.485 nan 8.230 nan 0.000 0.436 1495 Y N -1.210 119.102 120.300 0.018 0.000 2.503 1495 Y HA -0.005 4.544 4.550 -0.003 0.000 0.277 1495 Y C 1.991 177.995 175.900 0.173 0.000 1.102 1495 Y CA 0.330 58.529 58.100 0.165 0.000 1.261 1495 Y CB 0.267 38.974 38.460 0.413 0.000 1.096 1495 Y HN 0.159 nan 8.280 nan 0.000 0.546 1496 S N -1.073 114.758 115.700 0.219 0.000 4.155 1496 S HA -0.311 4.158 4.470 -0.003 0.000 0.346 1496 S C 0.142 174.949 174.600 0.346 0.000 1.863 1496 S CA 1.296 59.596 58.200 0.167 0.000 4.245 1496 S CB -1.478 61.789 63.200 0.113 0.000 0.217 1496 S HN 0.471 nan 8.310 nan 0.000 0.454 1497 D N 2.180 122.773 120.400 0.322 0.000 2.325 1497 D HA 0.446 5.084 4.640 -0.003 0.000 0.251 1497 D C 0.926 177.378 176.300 0.254 0.000 1.196 1497 D CA -0.156 54.004 54.000 0.266 0.000 0.866 1497 D CB 0.954 41.845 40.800 0.152 0.000 1.101 1497 D HN 0.266 nan 8.370 nan 0.000 0.476 1498 I N 4.257 124.881 120.570 0.089 0.000 2.181 1498 I HA -0.337 3.831 4.170 -0.003 0.000 0.247 1498 I C 1.305 177.267 176.117 -0.259 0.000 1.081 1498 I CA 1.704 62.707 61.300 -0.495 0.000 1.340 1498 I CB -0.164 37.609 38.000 -0.379 0.000 1.036 1498 I HN 0.429 nan 8.210 nan 0.000 0.417 1499 D N 0.343 120.700 120.400 -0.071 0.000 2.127 1499 D HA -0.175 4.463 4.640 -0.003 0.000 0.190 1499 D C 2.096 178.411 176.300 0.024 0.000 1.000 1499 D CA 2.091 56.077 54.000 -0.024 0.000 0.839 1499 D CB -0.792 40.014 40.800 0.009 0.000 0.955 1499 D HN 0.336 nan 8.370 nan 0.000 0.446 1500 V N 0.928 120.904 119.914 0.104 0.000 3.398 1500 V HA -0.149 3.969 4.120 -0.003 0.000 0.275 1500 V C 1.041 177.336 176.094 0.334 0.000 1.207 1500 V CA 0.167 62.590 62.300 0.205 0.000 1.189 1500 V CB -1.070 30.897 31.823 0.241 0.000 0.838 1500 V HN 0.139 nan 8.190 nan 0.000 0.546 1501 M N 1.783 121.431 119.600 0.079 0.000 2.217 1501 M HA 0.212 4.690 4.480 -0.003 0.000 0.352 1501 M C 0.359 176.647 176.300 -0.020 0.000 1.376 1501 M CA -0.407 54.766 55.300 -0.212 0.000 1.107 1501 M CB -0.268 32.063 32.600 -0.449 0.000 1.723 1501 M HN 0.345 nan 8.290 nan 0.000 0.461 1502 E N 3.616 123.858 120.200 0.070 0.000 2.373 1502 E HA 0.010 4.358 4.350 -0.003 0.000 0.267 1502 E C 0.683 177.303 176.600 0.033 0.000 1.032 1502 E CA -0.380 56.107 56.400 0.146 0.000 0.889 1502 E CB 0.948 30.799 29.700 0.252 0.000 0.984 1502 E HN 0.747 nan 8.360 nan 0.000 0.425 1503 L N 4.538 125.795 121.223 0.056 0.000 1.932 1503 L HA -0.271 4.067 4.340 -0.003 0.000 0.217 1503 L C 2.145 178.995 176.870 -0.033 0.000 1.077 1503 L CA 1.904 56.742 54.840 -0.003 0.000 0.765 1503 L CB -0.917 41.102 42.059 -0.065 0.000 0.888 1503 L HN 0.727 nan 8.230 nan 0.000 0.433 1504 Y N 1.198 121.402 120.300 -0.161 0.000 2.038 1504 Y HA -0.286 4.262 4.550 -0.003 0.000 0.266 1504 Y C -0.622 175.245 175.900 -0.055 0.000 1.220 1504 Y CA 2.768 60.785 58.100 -0.138 0.000 1.107 1504 Y CB -2.177 36.189 38.460 -0.157 0.000 0.932 1504 Y HN 0.310 nan 8.280 nan 0.000 0.500 1505 P HA -0.215 nan 4.420 nan 0.000 0.210 1505 P C 1.678 178.837 177.300 -0.235 0.000 1.189 1505 P CA 2.851 65.789 63.100 -0.271 0.000 0.920 1505 P CB -0.608 31.065 31.700 -0.047 0.000 0.782 1506 A N -0.963 121.764 122.820 -0.156 0.000 2.054 1506 A HA -0.237 4.081 4.320 -0.003 0.000 0.223 1506 A C 2.281 179.810 177.584 -0.090 0.000 1.169 1506 A CA 1.841 53.809 52.037 -0.114 0.000 0.655 1506 A CB -1.868 17.083 19.000 -0.081 0.000 0.812 1506 A HN 0.141 nan 8.150 nan 0.000 0.462 1507 L N -1.244 119.901 121.223 -0.131 0.000 2.044 1507 L HA -0.107 4.231 4.340 -0.003 0.000 0.205 1507 L C 2.525 179.333 176.870 -0.103 0.000 1.075 1507 L CA 1.124 55.908 54.840 -0.095 0.000 0.747 1507 L CB -0.329 41.674 42.059 -0.093 0.000 0.903 1507 L HN 0.372 nan 8.230 nan 0.000 0.435 1508 L N -1.238 119.860 121.223 -0.209 0.000 2.217 1508 L HA -0.126 4.212 4.340 -0.003 0.000 0.211 1508 L C 2.162 178.956 176.870 -0.127 0.000 1.107 1508 L CA 0.539 55.275 54.840 -0.173 0.000 0.783 1508 L CB -0.135 41.768 42.059 -0.260 0.000 0.919 1508 L HN 0.106 nan 8.230 nan 0.000 0.442 1509 V N -1.401 118.439 119.914 -0.125 0.000 3.174 1509 V HA -0.033 4.085 4.120 -0.003 0.000 0.254 1509 V C 1.322 177.369 176.094 -0.077 0.000 1.120 1509 V CA 0.101 62.345 62.300 -0.092 0.000 1.114 1509 V CB -0.215 31.558 31.823 -0.082 0.000 0.756 1509 V HN 0.340 nan 8.190 nan 0.000 0.467 1510 E N 1.629 121.792 120.200 -0.062 0.000 2.609 1510 E HA -0.187 4.161 4.350 -0.003 0.000 0.278 1510 E C 0.485 177.055 176.600 -0.050 0.000 1.115 1510 E CA 0.393 56.774 56.400 -0.032 0.000 1.039 1510 E CB 0.249 29.968 29.700 0.031 0.000 1.049 1510 E HN 0.227 nan 8.360 nan 0.000 0.466 1511 K N 4.344 124.708 120.400 -0.061 0.000 2.231 1511 K HA 0.208 4.527 4.320 -0.003 0.000 0.275 1511 K C -2.420 174.169 176.600 -0.020 0.000 1.105 1511 K CA -1.790 54.459 56.287 -0.063 0.000 0.931 1511 K CB 0.464 32.902 32.500 -0.104 0.000 1.296 1511 K HN 0.164 nan 8.250 nan 0.000 0.446 1512 P HA -0.112 nan 4.420 nan 0.000 0.271 1512 P C -0.461 176.842 177.300 0.004 0.000 1.197 1512 P CA 0.312 63.400 63.100 -0.020 0.000 0.777 1512 P CB 0.439 32.096 31.700 -0.073 0.000 0.827 1513 R N 2.456 122.974 120.500 0.029 0.000 2.528 1513 R HA 0.289 4.627 4.340 -0.003 0.000 0.271 1513 R C -1.915 174.374 176.300 -0.019 0.000 1.056 1513 R CA -1.794 54.325 56.100 0.031 0.000 1.117 1513 R CB -0.607 29.759 30.300 0.110 0.000 1.085 1513 R HN 0.333 nan 8.270 nan 0.000 0.530 1514 P HA -0.191 nan 4.420 nan 0.000 0.212 1514 P C -0.977 176.291 177.300 -0.053 0.000 0.974 1514 P CA 1.178 64.259 63.100 -0.031 0.000 1.226 1514 P CB -0.152 31.543 31.700 -0.008 0.000 1.258 1515 D N -1.583 118.779 120.400 -0.063 0.000 2.911 1515 D HA -0.176 4.462 4.640 -0.003 0.000 0.199 1515 D C 0.549 176.777 176.300 -0.121 0.000 1.041 1515 D CA 1.318 55.266 54.000 -0.088 0.000 1.013 1515 D CB -1.316 39.436 40.800 -0.080 0.000 1.093 1515 D HN 0.467 nan 8.370 nan 0.000 0.431 1516 A N 0.525 123.284 122.820 -0.102 0.000 2.280 1516 A HA 0.597 4.915 4.320 -0.003 0.000 0.268 1516 A C 1.459 178.896 177.584 -0.245 0.000 1.111 1516 A CA 0.276 52.234 52.037 -0.132 0.000 0.814 1516 A CB 0.514 19.517 19.000 0.006 0.000 1.093 1516 A HN 0.240 nan 8.150 nan 0.000 0.498 1517 I N -2.300 118.018 120.570 -0.419 0.000 3.854 1517 I HA 0.342 4.511 4.170 -0.003 0.000 0.312 1517 I C -0.817 174.847 176.117 -0.754 0.000 1.273 1517 I CA 0.023 60.920 61.300 -0.673 0.000 1.298 1517 I CB 0.040 37.432 38.000 -1.013 0.000 1.071 1517 I HN 0.400 nan 8.210 nan 0.000 0.428 1518 F N 0.183 120.012 119.950 -0.201 0.000 2.598 1518 F HA 0.692 5.218 4.527 -0.003 0.000 0.327 1518 F C 0.993 176.758 175.800 -0.058 0.000 1.057 1518 F CA -0.786 57.119 58.000 -0.158 0.000 0.957 1518 F CB 0.705 39.616 39.000 -0.147 0.000 1.278 1518 F HN -0.190 nan 8.300 nan 0.000 0.484 1519 G N -0.286 108.637 108.800 0.204 0.000 2.510 1519 G HA2 0.207 4.165 3.960 -0.003 0.000 0.280 1519 G HA3 0.207 4.165 3.960 -0.003 0.000 0.280 1519 G C 0.629 175.633 174.900 0.174 0.000 1.386 1519 G CA -0.130 45.058 45.100 0.147 0.000 1.047 1519 G HN 0.691 nan 8.290 nan 0.000 0.527 1520 E N -1.195 119.107 120.200 0.171 0.000 2.060 1520 E HA -0.101 4.247 4.350 -0.003 0.000 0.189 1520 E C 2.305 178.951 176.600 0.078 0.000 0.974 1520 E CA 1.497 57.992 56.400 0.158 0.000 0.808 1520 E CB -0.580 29.224 29.700 0.173 0.000 0.768 1520 E HN 0.374 nan 8.360 nan 0.000 0.453 1521 T N 1.849 116.435 114.554 0.054 0.000 2.565 1521 T HA -0.281 4.067 4.350 -0.003 0.000 0.265 1521 T C 1.895 176.551 174.700 -0.073 0.000 1.082 1521 T CA 2.574 64.654 62.100 -0.032 0.000 1.173 1521 T CB -0.417 68.438 68.868 -0.021 0.000 0.864 1521 T HN 0.313 nan 8.240 nan 0.000 0.425 1522 M N 0.466 120.039 119.600 -0.046 0.000 2.149 1522 M HA -0.092 4.386 4.480 -0.003 0.000 0.261 1522 M C 2.081 178.298 176.300 -0.138 0.000 1.064 1522 M CA 1.425 56.660 55.300 -0.109 0.000 1.102 1522 M CB -0.334 32.175 32.600 -0.152 0.000 1.369 1522 M HN 0.084 nan 8.290 nan 0.000 0.408 1523 V N 0.374 120.245 119.914 -0.073 0.000 2.244 1523 V HA -0.197 3.922 4.120 -0.003 0.000 0.244 1523 V C 2.202 178.290 176.094 -0.011 0.000 1.042 1523 V CA 1.820 64.100 62.300 -0.034 0.000 1.006 1523 V CB -0.670 31.176 31.823 0.038 0.000 0.641 1523 V HN 0.428 nan 8.190 nan 0.000 0.446 1524 E N -0.242 119.951 120.200 -0.011 0.000 2.510 1524 E HA -0.080 4.268 4.350 -0.003 0.000 0.202 1524 E C 1.775 178.294 176.600 -0.134 0.000 1.072 1524 E CA 0.685 57.082 56.400 -0.005 0.000 0.883 1524 E CB -0.088 29.631 29.700 0.031 0.000 0.818 1524 E HN 0.481 nan 8.360 nan 0.000 0.548 1525 L N -1.744 119.307 121.223 -0.286 0.000 2.347 1525 L HA 0.154 4.492 4.340 -0.003 0.000 0.196 1525 L C 2.119 178.861 176.870 -0.214 0.000 1.072 1525 L CA 0.946 55.387 54.840 -0.666 0.000 0.817 1525 L CB -0.668 41.007 42.059 -0.640 0.000 1.029 1525 L HN 0.123 nan 8.230 nan 0.000 0.478 1526 G N -0.233 108.628 108.800 0.103 0.000 2.484 1526 G HA2 -0.125 3.833 3.960 -0.003 0.000 0.218 1526 G HA3 -0.125 3.833 3.960 -0.003 0.000 0.218 1526 G C 1.706 176.818 174.900 0.353 0.000 1.130 1526 G CA 0.803 46.181 45.100 0.464 0.000 0.784 1526 G HN 0.402 nan 8.290 nan 0.000 0.543 1527 A N 1.792 124.715 122.820 0.171 0.000 1.865 1527 A HA 0.028 4.347 4.320 -0.003 0.000 0.217 1527 A C 0.752 178.408 177.584 0.121 0.000 1.191 1527 A CA 2.023 54.145 52.037 0.141 0.000 0.623 1527 A CB -1.151 17.909 19.000 0.100 0.000 0.826 1527 A HN 0.388 nan 8.150 nan 0.000 0.444 1528 P HA -0.086 nan 4.420 nan 0.000 0.210 1528 P C 1.434 178.796 177.300 0.103 0.000 1.192 1528 P CA 0.884 64.023 63.100 0.066 0.000 0.913 1528 P CB -0.344 31.376 31.700 0.034 0.000 0.774 1529 F N 0.060 120.011 119.950 0.003 0.000 2.079 1529 F HA -0.343 4.182 4.527 -0.003 0.000 0.296 1529 F C 2.690 178.129 175.800 -0.602 0.000 1.084 1529 F CA 1.500 59.305 58.000 -0.325 0.000 1.236 1529 F CB -0.850 37.930 39.000 -0.367 0.000 0.984 1529 F HN 0.050 nan 8.300 nan 0.000 0.488 1530 S N 0.400 116.038 115.700 -0.103 0.000 2.325 1530 S HA -0.161 4.307 4.470 -0.003 0.000 0.213 1530 S C 1.709 176.272 174.600 -0.061 0.000 1.031 1530 S CA 0.806 58.968 58.200 -0.063 0.000 0.984 1530 S CB -0.535 62.828 63.200 0.272 0.000 0.939 1530 S HN 0.154 nan 8.310 nan 0.000 0.438 1531 L N 1.628 122.856 121.223 0.009 0.000 2.661 1531 L HA 0.051 4.389 4.340 -0.003 0.000 0.236 1531 L C 2.136 178.994 176.870 -0.019 0.000 1.176 1531 L CA 1.306 56.136 54.840 -0.017 0.000 0.836 1531 L CB -0.905 41.148 42.059 -0.010 0.000 0.960 1531 L HN 0.246 nan 8.230 nan 0.000 0.455 1532 K N -0.203 120.191 120.400 -0.011 0.000 2.074 1532 K HA 0.118 4.436 4.320 -0.003 0.000 0.214 1532 K C 1.930 178.526 176.600 -0.006 0.000 1.029 1532 K CA 1.119 57.440 56.287 0.057 0.000 0.966 1532 K CB -1.159 31.339 32.500 -0.004 0.000 0.945 1532 K HN 0.166 nan 8.250 nan 0.000 0.453 1533 G N 2.345 111.057 108.800 -0.147 0.000 2.697 1533 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.223 1533 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.223 1533 G C 1.363 176.169 174.900 -0.157 0.000 1.083 1533 G CA 0.815 45.792 45.100 -0.205 0.000 0.722 1533 G HN 0.186 nan 8.290 nan 0.000 0.604 1534 L N -0.673 120.479 121.223 -0.120 0.000 2.084 1534 L HA 0.252 4.590 4.340 -0.003 0.000 0.202 1534 L C 2.758 179.587 176.870 -0.068 0.000 1.074 1534 L CA 1.276 56.050 54.840 -0.110 0.000 0.757 1534 L CB -0.670 41.323 42.059 -0.110 0.000 0.918 1534 L HN 0.123 nan 8.230 nan 0.000 0.444 1535 M N -0.561 119.028 119.600 -0.018 0.000 2.191 1535 M HA 0.107 4.585 4.480 -0.003 0.000 0.262 1535 M C 2.123 178.599 176.300 0.294 0.000 1.083 1535 M CA 1.283 56.595 55.300 0.020 0.000 1.154 1535 M CB -2.015 30.385 32.600 -0.334 0.000 1.344 1535 M HN 0.256 nan 8.290 nan 0.000 0.431 1536 G N 1.343 110.419 108.800 0.460 0.000 2.601 1536 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.214 1536 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.214 1536 G C 0.754 175.780 174.900 0.211 0.000 1.132 1536 G CA 0.205 45.488 45.100 0.305 0.000 0.761 1536 G HN 0.522 nan 8.290 nan 0.000 0.550 1537 N N 0.766 119.583 118.700 0.195 0.000 2.518 1537 N HA 0.083 4.821 4.740 -0.003 0.000 0.266 1537 N C -1.001 174.596 175.510 0.145 0.000 1.196 1537 N CA -1.445 51.672 53.050 0.111 0.000 0.947 1537 N CB 1.988 40.516 38.487 0.067 0.000 1.098 1537 N HN -0.137 nan 8.380 nan 0.000 0.450 1538 P HA -0.252 nan 4.420 nan 0.000 0.212 1538 P C 1.624 178.747 177.300 -0.295 0.000 1.174 1538 P CA 1.705 64.659 63.100 -0.243 0.000 0.934 1538 P CB -0.306 31.123 31.700 -0.451 0.000 0.791 1539 I N -1.952 118.481 120.570 -0.228 0.000 2.707 1539 I HA -0.240 3.928 4.170 -0.003 0.000 0.266 1539 I C 1.470 177.791 176.117 0.340 0.000 1.215 1539 I CA 1.726 63.116 61.300 0.151 0.000 1.442 1539 I CB -1.018 37.234 38.000 0.419 0.000 1.108 1539 I HN -0.104 nan 8.210 nan 0.000 0.464 1540 C N 1.117 120.544 119.300 0.210 0.000 2.791 1540 C HA 0.271 4.729 4.460 -0.003 0.000 0.270 1540 C C 1.627 176.716 174.990 0.164 0.000 1.257 1540 C CA 0.216 59.341 59.018 0.179 0.000 1.699 1540 C CB -1.944 25.993 27.740 0.329 0.000 1.904 1540 C HN 0.728 nan 8.230 nan 0.000 0.603 1541 S N 1.723 117.354 115.700 -0.115 0.000 2.601 1541 S HA 0.273 4.742 4.470 -0.003 0.000 0.271 1541 S C -1.691 172.915 174.600 0.010 0.000 1.305 1541 S CA -0.687 57.124 58.200 -0.648 0.000 1.022 1541 S CB 0.828 63.734 63.200 -0.489 0.000 0.940 1541 S HN 0.030 nan 8.310 nan 0.000 0.525 1542 P HA -0.165 nan 4.420 nan 0.000 0.214 1542 P C 0.434 177.679 177.300 -0.093 0.000 1.169 1542 P CA 1.422 64.277 63.100 -0.409 0.000 0.908 1542 P CB -0.224 31.133 31.700 -0.572 0.000 0.791 1543 Q N -2.042 117.733 119.800 -0.041 0.000 2.380 1543 Q HA 0.072 4.411 4.340 -0.003 0.000 0.254 1543 Q C 0.091 176.048 176.000 -0.071 0.000 0.927 1543 Q CA 0.724 56.492 55.803 -0.058 0.000 0.950 1543 Q CB -1.119 27.569 28.738 -0.084 0.000 1.206 1543 Q HN 0.420 nan 8.270 nan 0.000 0.414 1544 Y N -2.619 117.711 120.300 0.050 0.000 2.510 1544 Y HA 0.099 4.648 4.550 -0.002 0.000 0.285 1544 Y C -0.249 175.812 175.900 0.268 0.000 1.089 1544 Y CA -0.921 57.235 58.100 0.094 0.000 1.007 1544 Y CB 0.166 38.717 38.460 0.151 0.000 1.372 1544 Y HN 0.426 nan 8.280 nan 0.000 0.563 1545 W N 6.416 127.914 121.300 0.330 0.000 1.839 1545 W HA 0.268 4.926 4.660 -0.003 0.000 0.489 1545 W C -0.667 175.966 176.519 0.190 0.000 0.789 1545 W CA 0.531 58.130 57.345 0.423 0.000 1.900 1545 W CB -0.497 29.311 29.460 0.580 0.000 1.773 1545 W HN 0.021 nan 8.180 nan 0.000 0.251 1546 K N 3.409 123.662 120.400 -0.245 0.000 2.589 1546 K HA 0.223 4.542 4.320 -0.003 0.000 0.265 1546 K C -2.481 173.687 176.600 -0.720 0.000 0.935 1546 K CA -1.470 54.465 56.287 -0.588 0.000 0.850 1546 K CB 1.230 33.566 32.500 -0.274 0.000 1.372 1546 K HN -0.229 nan 8.250 nan 0.000 0.420 1547 P HA -0.403 nan 4.420 nan 0.000 0.222 1547 P C 1.385 178.614 177.300 -0.119 0.000 1.159 1547 P CA 2.676 65.524 63.100 -0.420 0.000 0.920 1547 P CB -0.145 31.438 31.700 -0.195 0.000 0.793 1548 S N -0.417 115.190 115.700 -0.154 0.000 2.389 1548 S HA -0.281 4.187 4.470 -0.003 0.000 0.229 1548 S C 1.921 176.436 174.600 -0.143 0.000 1.048 1548 S CA 2.766 60.911 58.200 -0.091 0.000 1.117 1548 S CB -2.483 60.638 63.200 -0.131 0.000 1.020 1548 S HN 0.263 nan 8.310 nan 0.000 0.430 1549 T N 1.305 115.631 114.554 -0.379 0.000 2.836 1549 T HA -0.150 4.198 4.350 -0.003 0.000 0.268 1549 T C 0.757 174.997 174.700 -0.767 0.000 1.080 1549 T CA 1.683 63.384 62.100 -0.666 0.000 1.128 1549 T CB -0.735 67.509 68.868 -1.041 0.000 0.839 1549 T HN 0.616 nan 8.240 nan 0.000 0.507 1550 F N 0.044 120.058 119.950 0.107 0.000 2.805 1550 F HA 0.552 5.078 4.527 -0.003 0.000 0.317 1550 F C 1.475 177.423 175.800 0.247 0.000 1.146 1550 F CA -0.667 57.454 58.000 0.202 0.000 1.265 1550 F CB 0.270 39.409 39.000 0.231 0.000 0.992 1550 F HN 0.164 nan 8.300 nan 0.000 0.511 1551 G N 0.329 109.384 108.800 0.425 0.000 2.147 1551 G HA2 0.121 4.079 3.960 -0.003 0.000 0.244 1551 G HA3 0.121 4.079 3.960 -0.003 0.000 0.244 1551 G C 0.677 175.746 174.900 0.282 0.000 1.005 1551 G CA 0.173 45.555 45.100 0.471 0.000 0.713 1551 G HN 1.278 nan 8.290 nan 0.000 0.515 1552 G N -1.182 107.748 108.800 0.215 0.000 2.828 1552 G HA2 0.096 4.054 3.960 -0.003 0.000 0.463 1552 G HA3 0.096 4.054 3.960 -0.003 0.000 0.463 1552 G C 0.701 175.692 174.900 0.151 0.000 1.394 1552 G CA 0.551 45.727 45.100 0.125 0.000 0.862 1552 G HN 0.835 nan 8.290 nan 0.000 0.540 1553 E N -0.699 119.573 120.200 0.119 0.000 2.181 1553 E HA -0.262 4.087 4.350 -0.003 0.000 0.225 1553 E C 2.818 179.510 176.600 0.153 0.000 1.073 1553 E CA 1.957 58.459 56.400 0.170 0.000 0.916 1553 E CB -0.889 28.869 29.700 0.097 0.000 0.793 1553 E HN 0.684 nan 8.360 nan 0.000 0.472 1554 V N 0.735 120.690 119.914 0.070 0.000 2.217 1554 V HA -0.295 3.823 4.120 -0.003 0.000 0.248 1554 V C 2.391 178.524 176.094 0.064 0.000 1.050 1554 V CA 2.588 64.905 62.300 0.029 0.000 1.007 1554 V CB -1.245 30.555 31.823 -0.039 0.000 0.639 1554 V HN 0.506 nan 8.190 nan 0.000 0.452 1555 G N -1.867 106.983 108.800 0.084 0.000 2.501 1555 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.220 1555 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.220 1555 G C 1.406 176.424 174.900 0.198 0.000 1.114 1555 G CA 0.874 46.057 45.100 0.139 0.000 0.757 1555 G HN 0.445 nan 8.290 nan 0.000 0.559 1556 F N 1.154 121.107 119.950 0.005 0.000 2.094 1556 F HA 0.167 4.692 4.527 -0.002 0.000 0.291 1556 F C 2.468 178.176 175.800 -0.153 0.000 1.109 1556 F CA 1.230 59.146 58.000 -0.139 0.000 1.221 1556 F CB -0.574 38.375 39.000 -0.085 0.000 1.014 1556 F HN 0.103 nan 8.300 nan 0.000 0.473 1557 K N 0.836 121.186 120.400 -0.082 0.000 2.052 1557 K HA -0.265 4.053 4.320 -0.003 0.000 0.215 1557 K C 2.233 178.746 176.600 -0.145 0.000 1.053 1557 K CA 2.598 58.784 56.287 -0.169 0.000 0.934 1557 K CB -0.674 31.793 32.500 -0.054 0.000 0.717 1557 K HN 0.363 nan 8.250 nan 0.000 0.450 1558 I N 0.896 121.431 120.570 -0.057 0.000 2.203 1558 I HA -0.432 3.736 4.170 -0.003 0.000 0.237 1558 I C 2.415 178.517 176.117 -0.026 0.000 0.993 1558 I CA 2.069 63.358 61.300 -0.018 0.000 1.277 1558 I CB -0.512 37.505 38.000 0.028 0.000 0.984 1558 I HN 0.324 nan 8.210 nan 0.000 0.402 1559 I N 0.765 121.295 120.570 -0.067 0.000 2.127 1559 I HA -0.324 3.845 4.170 -0.003 0.000 0.241 1559 I C 2.009 178.117 176.117 -0.015 0.000 1.075 1559 I CA 1.585 62.880 61.300 -0.009 0.000 1.334 1559 I CB -0.656 37.324 38.000 -0.034 0.000 1.040 1559 I HN 0.378 nan 8.210 nan 0.000 0.405 1560 N N 0.509 119.095 118.700 -0.190 0.000 2.519 1560 N HA -0.103 4.636 4.740 -0.003 0.000 0.186 1560 N C 0.854 176.323 175.510 -0.068 0.000 1.062 1560 N CA 1.466 54.419 53.050 -0.162 0.000 0.910 1560 N CB -0.476 37.799 38.487 -0.354 0.000 0.958 1560 N HN 0.477 nan 8.380 nan 0.000 0.445 1561 T N -2.453 112.073 114.554 -0.046 0.000 3.585 1561 T HA 0.692 5.040 4.350 -0.003 0.000 0.252 1561 T C -0.490 174.217 174.700 0.013 0.000 1.382 1561 T CA -0.854 61.237 62.100 -0.015 0.000 1.584 1561 T CB 0.393 69.244 68.868 -0.028 0.000 0.892 1561 T HN 0.134 nan 8.240 nan 0.000 0.671 1562 A N 1.623 124.470 122.820 0.045 0.000 2.356 1562 A HA 0.903 5.222 4.320 -0.003 0.000 0.310 1562 A C -0.020 177.601 177.584 0.061 0.000 1.075 1562 A CA -0.782 51.294 52.037 0.065 0.000 0.746 1562 A CB 1.539 20.611 19.000 0.121 0.000 1.221 1562 A HN 1.198 nan 8.150 nan 0.000 0.443 1563 S N 1.847 117.562 115.700 0.024 0.000 2.540 1563 S HA 0.451 4.920 4.470 -0.003 0.000 0.275 1563 S C 0.558 175.126 174.600 -0.054 0.000 1.123 1563 S CA -0.366 57.830 58.200 -0.006 0.000 0.907 1563 S CB 1.054 64.233 63.200 -0.035 0.000 1.081 1563 S HN 1.407 nan 8.310 nan 0.000 0.476 1564 I N 1.913 122.432 120.570 -0.085 0.000 2.300 1564 I HA -0.200 3.968 4.170 -0.003 0.000 0.252 1564 I C 2.367 178.352 176.117 -0.221 0.000 1.119 1564 I CA 2.305 63.511 61.300 -0.156 0.000 1.384 1564 I CB -0.485 37.237 38.000 -0.463 0.000 1.062 1564 I HN 0.970 nan 8.210 nan 0.000 0.426 1565 Q N 1.040 120.695 119.800 -0.242 0.000 1.927 1565 Q HA -0.240 4.099 4.340 -0.003 0.000 0.210 1565 Q C 2.436 178.338 176.000 -0.163 0.000 1.001 1565 Q CA 3.369 59.025 55.803 -0.244 0.000 0.862 1565 Q CB -1.093 27.521 28.738 -0.206 0.000 0.934 1565 Q HN 0.689 nan 8.270 nan 0.000 0.420 1566 S N 0.796 116.431 115.700 -0.109 0.000 2.374 1566 S HA -0.211 4.257 4.470 -0.003 0.000 0.227 1566 S C 1.921 176.463 174.600 -0.097 0.000 1.037 1566 S CA 1.426 59.578 58.200 -0.078 0.000 1.024 1566 S CB -1.093 62.080 63.200 -0.045 0.000 0.861 1566 S HN 0.468 nan 8.310 nan 0.000 0.456 1567 L N 1.402 122.553 121.223 -0.120 0.000 2.034 1567 L HA -0.095 4.243 4.340 -0.003 0.000 0.217 1567 L C 2.041 178.795 176.870 -0.193 0.000 1.077 1567 L CA 1.668 56.393 54.840 -0.192 0.000 0.769 1567 L CB -0.928 40.957 42.059 -0.290 0.000 0.890 1567 L HN 0.332 nan 8.230 nan 0.000 0.435 1568 I N -1.630 118.840 120.570 -0.166 0.000 2.480 1568 I HA -0.175 3.993 4.170 -0.003 0.000 0.251 1568 I C 2.667 178.718 176.117 -0.110 0.000 1.124 1568 I CA 1.090 62.305 61.300 -0.142 0.000 1.444 1568 I CB -0.662 37.254 38.000 -0.141 0.000 1.098 1568 I HN 0.442 nan 8.210 nan 0.000 0.428 1569 c N 1.054 119.593 118.600 -0.102 0.000 2.388 1569 c HA -0.219 4.349 4.570 -0.003 0.000 0.277 1569 c C 2.868 176.924 174.090 -0.057 0.000 1.210 1569 c CA 1.536 57.823 56.329 -0.069 0.000 1.743 1569 c CB -1.192 41.283 42.510 -0.059 0.000 2.047 1569 c HN 0.539 nan 8.230 nan 0.000 0.458 1570 N N 1.021 119.685 118.700 -0.060 0.000 2.062 1570 N HA -0.084 4.654 4.740 -0.003 0.000 0.191 1570 N C 1.343 176.819 175.510 -0.056 0.000 1.042 1570 N CA 1.387 54.409 53.050 -0.047 0.000 0.845 1570 N CB -0.931 37.534 38.487 -0.037 0.000 1.024 1570 N HN 0.553 nan 8.380 nan 0.000 0.424 1571 N N 0.616 119.270 118.700 -0.076 0.000 2.309 1571 N HA -0.033 4.706 4.740 -0.003 0.000 0.182 1571 N C 0.117 175.568 175.510 -0.098 0.000 1.018 1571 N CA 0.307 53.305 53.050 -0.086 0.000 0.876 1571 N CB 0.102 38.522 38.487 -0.112 0.000 0.972 1571 N HN 0.043 nan 8.380 nan 0.000 0.434 1572 V N 0.636 120.496 119.914 -0.091 0.000 2.630 1572 V HA 0.233 4.351 4.120 -0.003 0.000 0.305 1572 V C 0.541 176.599 176.094 -0.060 0.000 1.046 1572 V CA -1.231 61.019 62.300 -0.083 0.000 0.934 1572 V CB 2.059 33.836 31.823 -0.076 0.000 1.003 1572 V HN -0.058 nan 8.190 nan 0.000 0.451 1573 K N 1.776 122.144 120.400 -0.053 0.000 2.469 1573 K HA 0.333 4.651 4.320 -0.003 0.000 0.274 1573 K C 1.307 177.896 176.600 -0.018 0.000 0.983 1573 K CA 1.215 57.481 56.287 -0.034 0.000 0.974 1573 K CB 0.185 32.668 32.500 -0.028 0.000 0.913 1573 K HN 1.154 nan 8.250 nan 0.000 0.493 1574 G N 2.320 111.113 108.800 -0.011 0.000 2.200 1574 G HA2 -0.373 3.586 3.960 -0.003 0.000 0.268 1574 G HA3 -0.373 3.586 3.960 -0.003 0.000 0.268 1574 G C 0.456 175.358 174.900 0.004 0.000 0.986 1574 G CA 0.193 45.293 45.100 -0.000 0.000 0.677 1574 G HN 0.853 nan 8.290 nan 0.000 0.532 1575 c N 0.236 118.831 118.600 -0.008 0.000 3.899 1575 c HA -0.106 4.462 4.570 -0.003 0.000 0.297 1575 c C -0.542 173.555 174.090 0.012 0.000 1.371 1575 c CA -0.146 56.178 56.329 -0.009 0.000 2.088 1575 c CB -1.612 40.896 42.510 -0.003 0.000 1.346 1575 c HN 0.753 nan 8.230 nan 0.000 0.658 1576 P HA 0.138 nan 4.420 nan 0.000 0.262 1576 P C 0.167 177.495 177.300 0.047 0.000 1.199 1576 P CA 0.264 63.393 63.100 0.048 0.000 0.763 1576 P CB 0.308 32.029 31.700 0.035 0.000 0.790 1577 F N 4.244 124.187 119.950 -0.013 0.000 2.626 1577 F HA 0.155 4.680 4.527 -0.003 0.000 0.354 1577 F C -0.085 175.703 175.800 -0.021 0.000 1.168 1577 F CA 1.314 59.302 58.000 -0.019 0.000 1.368 1577 F CB 0.452 39.443 39.000 -0.013 0.000 1.092 1577 F HN 0.330 nan 8.300 nan 0.000 0.612 1578 T N 3.360 116.958 114.554 -1.594 0.000 2.769 1578 T HA 0.536 4.884 4.350 -0.003 0.000 0.306 1578 T C -1.408 172.540 174.700 -1.254 0.000 1.400 1578 T CA -0.753 60.687 62.100 -1.100 0.000 1.007 1578 T CB 1.560 70.145 68.868 -0.472 0.000 1.392 1578 T HN 0.776 nan 8.240 nan 0.000 0.500 1579 S N -1.160 114.179 115.700 -0.602 0.000 2.615 1579 S HA 0.543 5.011 4.470 -0.003 0.000 0.268 1579 S C -1.289 173.139 174.600 -0.287 0.000 1.146 1579 S CA -0.655 57.300 58.200 -0.409 0.000 0.818 1579 S CB 0.563 63.726 63.200 -0.062 0.000 1.111 1579 S HN 0.627 nan 8.310 nan 0.000 0.465 1580 F N 1.498 121.386 119.950 -0.103 0.000 2.732 1580 F HA 0.367 4.892 4.527 -0.003 0.000 0.303 1580 F C 0.997 176.603 175.800 -0.323 0.000 1.110 1580 F CA -0.183 57.717 58.000 -0.166 0.000 1.355 1580 F CB 0.288 39.146 39.000 -0.237 0.000 1.081 1580 F HN 0.392 nan 8.300 nan 0.000 0.565 1581 N N 0.076 118.784 118.700 0.013 0.000 2.372 1581 N HA 0.236 4.974 4.740 -0.003 0.000 0.285 1581 N C -0.889 174.702 175.510 0.135 0.000 1.008 1581 N CA -0.398 52.704 53.050 0.086 0.000 0.880 1581 N CB 2.048 40.635 38.487 0.165 0.000 1.239 1581 N HN -0.128 nan 8.380 nan 0.000 0.484 1582 V N 4.772 124.757 119.914 0.118 0.000 2.149 1582 V HA 0.119 4.237 4.120 -0.003 0.000 0.245 1582 V C -0.540 175.613 176.094 0.098 0.000 1.349 1582 V CA 0.129 62.502 62.300 0.122 0.000 1.289 1582 V CB -1.299 30.583 31.823 0.098 0.000 1.401 1582 V HN 0.841 nan 8.190 nan 0.000 0.501 1583 Q N 0.000 119.870 119.800 0.117 0.000 2.315 1583 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 1583 Q CA 0.000 55.836 55.803 0.054 0.000 1.022 1583 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 1583 Q HN 0.000 nan 8.270 nan 0.000 0.481