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 2du2_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MNNNDIEYNA PSEIKYIDVV NTYDLEEEAS KVVPHGGFNY IAGASGDEWT DATA SEQUENCE KRANDRAWKH KLLYPRLAQD VEAPDTSTEI LGHKIKAPFI MAPIAAHGLA DATA SEQUENCE HTTKEAGTAR AVSEFGTIMS ISAYSGATFE EISEGLNGGP RWFQIYMAKD DATA SEQUENCE DQQNRDILDE AKSDGATAII LTADSTVSGN RDRDVKNKFV YPFGMPIVQR DATA SEQUENCE YLRGTAEGMS LNNIYGASKQ KISPRDIEEI AGHSGLPVFV KGIQHPEDAD DATA SEQUENCE MAIKRGASGI WVSNHGARQL YEAPGSFDTL PAIAERVNKR VPIVFDSGVR DATA SEQUENCE RGEHVAKALA SGADVVALGR PVLFGLALGG WQGAYSVLDY FQKDLTRVMQ DATA SEQUENCE LTGSQNVEDL KGLDLFDNPY GYEY 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.311 176.300 0.018 0.000 1.140 1001 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1001 M CB 0.000 32.607 32.600 0.012 0.000 1.302 1002 N N 2.027 120.742 118.700 0.024 0.000 2.476 1002 N HA 0.350 5.090 4.740 0.000 0.000 0.257 1002 N C 0.606 176.134 175.510 0.030 0.000 0.970 1002 N CA -0.077 52.989 53.050 0.027 0.000 0.938 1002 N CB 1.092 39.599 38.487 0.032 0.000 1.144 1002 N HN 0.745 nan 8.380 nan 0.000 0.500 1003 N N 3.589 122.303 118.700 0.024 0.000 2.430 1003 N HA -0.182 4.558 4.740 0.000 0.000 0.186 1003 N C 0.197 175.723 175.510 0.028 0.000 1.032 1003 N CA 1.039 54.102 53.050 0.022 0.000 0.893 1003 N CB 0.070 38.566 38.487 0.016 0.000 0.957 1003 N HN 0.408 nan 8.380 nan 0.000 0.442 1004 N N 0.810 119.530 118.700 0.034 0.000 2.207 1004 N HA -0.064 4.676 4.740 0.000 0.000 0.182 1004 N C -0.236 175.313 175.510 0.065 0.000 1.020 1004 N CA 0.763 53.839 53.050 0.044 0.000 0.858 1004 N CB -0.488 38.023 38.487 0.040 0.000 0.991 1004 N HN 0.420 nan 8.380 nan 0.000 0.427 1005 D N -0.143 120.302 120.400 0.076 0.000 2.313 1005 D HA 0.262 4.902 4.640 0.000 0.000 0.247 1005 D C 1.312 177.654 176.300 0.069 0.000 1.094 1005 D CA -0.316 53.742 54.000 0.098 0.000 0.925 1005 D CB 1.598 42.470 40.800 0.120 0.000 1.188 1005 D HN -0.060 nan 8.370 nan 0.000 0.430 1006 I N 0.301 120.913 120.570 0.069 0.000 2.364 1006 I HA -0.052 4.118 4.170 0.000 0.000 0.241 1006 I C 1.391 177.541 176.117 0.055 0.000 1.082 1006 I CA 0.826 62.154 61.300 0.048 0.000 1.401 1006 I CB -0.041 37.976 38.000 0.028 0.000 1.126 1006 I HN 0.580 nan 8.210 nan 0.000 0.429 1007 E N -1.427 118.823 120.200 0.083 0.000 2.594 1007 E HA -0.004 4.346 4.350 0.000 0.000 0.173 1007 E C 0.004 176.669 176.600 0.108 0.000 0.905 1007 E CA -0.457 55.987 56.400 0.074 0.000 1.344 1007 E CB -0.702 29.024 29.700 0.044 0.000 1.156 1007 E HN 0.266 nan 8.360 nan 0.000 0.578 1008 Y N 2.247 122.571 120.300 0.040 0.000 2.436 1008 Y HA 0.373 4.923 4.550 0.000 0.000 0.336 1008 Y C -0.208 175.738 175.900 0.077 0.000 1.049 1008 Y CA -0.278 57.858 58.100 0.061 0.000 1.294 1008 Y CB 0.811 39.313 38.460 0.070 0.000 1.179 1008 Y HN 0.117 nan 8.280 nan 0.000 0.520 1009 N N 5.145 123.681 118.700 -0.275 0.000 3.194 1009 N HA 0.352 5.092 4.740 0.000 0.000 0.271 1009 N C -1.013 174.393 175.510 -0.172 0.000 1.308 1009 N CA -0.228 52.736 53.050 -0.144 0.000 1.042 1009 N CB -0.035 38.379 38.487 -0.122 0.000 1.310 1009 N HN 0.683 nan 8.380 nan 0.000 0.502 1010 A N 2.274 125.094 122.820 0.000 0.000 2.386 1010 A HA 0.452 4.772 4.320 0.000 0.000 0.248 1010 A C -2.029 175.545 177.584 -0.016 0.000 1.082 1010 A CA -0.909 51.179 52.037 0.085 0.000 0.789 1010 A CB -0.201 18.993 19.000 0.322 0.000 1.025 1010 A HN 0.475 nan 8.150 nan 0.000 0.490 1011 P HA 0.078 nan 4.420 nan 0.000 0.269 1011 P C 0.565 177.634 177.300 -0.385 0.000 1.217 1011 P CA 0.589 63.633 63.100 -0.093 0.000 0.783 1011 P CB 0.723 32.450 31.700 0.044 0.000 0.898 1012 S N -1.561 113.943 115.700 -0.326 0.000 2.744 1012 S HA 0.087 4.557 4.470 0.000 0.000 0.265 1012 S C 0.412 174.980 174.600 -0.053 0.000 1.065 1012 S CA -0.345 57.601 58.200 -0.423 0.000 1.191 1012 S CB -0.404 62.699 63.200 -0.160 0.000 1.150 1012 S HN 0.439 nan 8.310 nan 0.000 0.646 1013 E N 1.354 121.593 120.200 0.065 0.000 2.413 1013 E HA 0.252 4.602 4.350 0.000 0.000 0.263 1013 E C -0.990 175.735 176.600 0.209 0.000 1.015 1013 E CA 0.135 56.608 56.400 0.122 0.000 0.916 1013 E CB 0.425 30.168 29.700 0.073 0.000 0.947 1013 E HN 0.482 nan 8.360 nan 0.000 0.440 1014 I N 5.292 125.904 120.570 0.070 0.000 2.389 1014 I HA 0.348 4.518 4.170 0.000 0.000 0.288 1014 I C -0.549 175.452 176.117 -0.194 0.000 0.999 1014 I CA -0.526 60.730 61.300 -0.074 0.000 1.129 1014 I CB 1.200 39.170 38.000 -0.049 0.000 1.288 1014 I HN 0.491 nan 8.210 nan 0.000 0.444 1015 K N 4.593 124.805 120.400 -0.314 0.000 2.610 1015 K HA 0.409 4.729 4.320 0.000 0.000 0.278 1015 K C -1.783 174.584 176.600 -0.388 0.000 0.964 1015 K CA -1.007 55.090 56.287 -0.317 0.000 0.859 1015 K CB 1.106 33.536 32.500 -0.116 0.000 1.434 1015 K HN 0.217 nan 8.250 nan 0.000 0.410 1016 Y N 1.644 121.849 120.300 -0.158 0.000 2.379 1016 Y HA 0.322 4.872 4.550 0.000 0.000 0.337 1016 Y C 0.829 176.694 175.900 -0.058 0.000 1.238 1016 Y CA -0.250 57.783 58.100 -0.111 0.000 1.405 1016 Y CB 0.733 39.142 38.460 -0.085 0.000 1.310 1016 Y HN 0.491 nan 8.280 nan 0.000 0.569 1017 I N -2.283 118.368 120.570 0.134 0.000 2.892 1017 I HA 0.466 4.636 4.170 0.000 0.000 0.306 1017 I C -0.264 175.889 176.117 0.059 0.000 1.078 1017 I CA -0.971 60.366 61.300 0.062 0.000 1.032 1017 I CB 2.138 40.150 38.000 0.020 0.000 1.229 1017 I HN 0.387 nan 8.210 nan 0.000 0.435 1018 D N 1.679 122.093 120.400 0.024 0.000 2.117 1018 D HA -0.015 4.625 4.640 0.000 0.000 0.198 1018 D C 0.657 176.957 176.300 -0.001 0.000 0.982 1018 D CA 1.366 55.375 54.000 0.015 0.000 0.828 1018 D CB -0.016 40.784 40.800 0.001 0.000 0.967 1018 D HN 0.461 nan 8.370 nan 0.000 0.464 1019 V N 0.595 120.473 119.914 -0.059 0.000 4.511 1019 V HA -0.207 3.913 4.120 0.000 0.000 0.437 1019 V C 1.444 177.452 176.094 -0.144 0.000 0.684 1019 V CA 0.054 62.245 62.300 -0.181 0.000 1.739 1019 V CB -1.571 30.070 31.823 -0.303 0.000 2.089 1019 V HN -0.050 nan 8.190 nan 0.000 0.487 1020 V N 2.367 122.192 119.914 -0.149 0.000 2.599 1020 V HA 0.121 4.241 4.120 0.000 0.000 0.245 1020 V C 0.875 176.905 176.094 -0.107 0.000 1.046 1020 V CA 2.001 64.264 62.300 -0.062 0.000 1.065 1020 V CB 0.029 31.828 31.823 -0.041 0.000 0.703 1020 V HN 1.207 nan 8.190 nan 0.000 0.464 1021 N N -2.234 116.300 118.700 -0.276 0.000 2.823 1021 N HA 0.168 4.908 4.740 0.000 0.000 0.251 1021 N C 0.248 175.480 175.510 -0.463 0.000 1.392 1021 N CA 0.097 52.942 53.050 -0.342 0.000 0.864 1021 N CB 1.115 39.599 38.487 -0.005 0.000 1.481 1021 N HN -0.046 nan 8.380 nan 0.000 0.508 1022 T N -3.979 110.265 114.554 -0.517 0.000 3.067 1022 T HA 0.014 4.364 4.350 0.000 0.000 0.261 1022 T C 0.892 175.468 174.700 -0.208 0.000 1.110 1022 T CA 0.669 62.513 62.100 -0.427 0.000 1.113 1022 T CB -0.690 67.921 68.868 -0.429 0.000 0.917 1022 T HN 0.480 nan 8.240 nan 0.000 0.499 1023 Y N 2.403 122.651 120.300 -0.086 0.000 2.224 1023 Y HA -0.057 4.493 4.550 0.000 0.000 0.289 1023 Y C 2.312 178.181 175.900 -0.052 0.000 1.146 1023 Y CA 1.229 59.318 58.100 -0.019 0.000 1.182 1023 Y CB -0.446 38.009 38.460 -0.008 0.000 0.983 1023 Y HN 0.218 nan 8.280 nan 0.000 0.524 1024 D N -0.317 120.118 120.400 0.057 0.000 2.263 1024 D HA -0.117 4.523 4.640 0.000 0.000 0.208 1024 D C 1.908 178.159 176.300 -0.081 0.000 0.971 1024 D CA 0.746 54.733 54.000 -0.021 0.000 0.867 1024 D CB -0.149 40.626 40.800 -0.042 0.000 0.929 1024 D HN 0.218 nan 8.370 nan 0.000 0.492 1025 L N 0.967 122.137 121.223 -0.088 0.000 2.201 1025 L HA -0.094 4.246 4.340 0.000 0.000 0.212 1025 L C 2.225 178.887 176.870 -0.347 0.000 1.105 1025 L CA 1.183 55.960 54.840 -0.106 0.000 0.775 1025 L CB -0.836 41.247 42.059 0.040 0.000 0.913 1025 L HN 0.088 nan 8.230 nan 0.000 0.440 1026 E N -0.197 119.737 120.200 -0.445 0.000 2.017 1026 E HA -0.269 4.081 4.350 0.000 0.000 0.193 1026 E C 2.107 178.470 176.600 -0.395 0.000 0.997 1026 E CA 1.496 57.397 56.400 -0.833 0.000 0.804 1026 E CB -0.070 29.422 29.700 -0.348 0.000 0.757 1026 E HN 0.521 nan 8.360 nan 0.000 0.448 1027 E N 0.018 120.093 120.200 -0.208 0.000 2.110 1027 E HA -0.224 4.126 4.350 0.000 0.000 0.193 1027 E C 1.924 178.389 176.600 -0.226 0.000 0.988 1027 E CA 1.161 57.450 56.400 -0.184 0.000 0.804 1027 E CB 0.079 29.714 29.700 -0.108 0.000 0.745 1027 E HN 0.347 nan 8.360 nan 0.000 0.458 1028 E N 0.066 120.155 120.200 -0.186 0.000 2.051 1028 E HA -0.177 4.173 4.350 0.000 0.000 0.192 1028 E C 2.020 178.527 176.600 -0.156 0.000 0.991 1028 E CA 0.960 57.274 56.400 -0.143 0.000 0.799 1028 E CB -0.121 29.521 29.700 -0.097 0.000 0.748 1028 E HN 0.291 nan 8.360 nan 0.000 0.449 1029 A N 1.420 124.137 122.820 -0.172 0.000 1.972 1029 A HA -0.188 4.132 4.320 0.000 0.000 0.219 1029 A C 2.283 179.711 177.584 -0.259 0.000 1.169 1029 A CA 1.696 53.689 52.037 -0.074 0.000 0.635 1029 A CB -0.642 18.418 19.000 0.100 0.000 0.810 1029 A HN 0.324 nan 8.150 nan 0.000 0.446 1030 S N -0.039 115.238 115.700 -0.706 0.000 2.442 1030 S HA -0.159 4.311 4.470 0.000 0.000 0.236 1030 S C 1.621 175.883 174.600 -0.562 0.000 1.007 1030 S CA 1.499 58.900 58.200 -1.332 0.000 0.965 1030 S CB -0.360 62.011 63.200 -1.381 0.000 0.773 1030 S HN 0.635 nan 8.310 nan 0.000 0.504 1031 K N 0.683 120.890 120.400 -0.321 0.000 2.366 1031 K HA 0.098 4.418 4.320 0.000 0.000 0.198 1031 K C 1.747 178.276 176.600 -0.119 0.000 1.044 1031 K CA 1.142 57.319 56.287 -0.183 0.000 0.973 1031 K CB 0.066 32.487 32.500 -0.132 0.000 0.767 1031 K HN 0.568 nan 8.250 nan 0.000 0.475 1032 V N -3.428 116.430 119.914 -0.094 0.000 3.604 1032 V HA 0.192 4.312 4.120 0.000 0.000 0.277 1032 V C 0.445 176.539 176.094 -0.000 0.000 1.399 1032 V CA -0.513 61.768 62.300 -0.032 0.000 1.034 1032 V CB 0.588 32.414 31.823 0.005 0.000 0.824 1032 V HN -0.226 nan 8.190 nan 0.000 0.439 1033 V N 2.821 122.749 119.914 0.023 0.000 2.439 1033 V HA 0.477 4.597 4.120 0.000 0.000 0.282 1033 V C -2.211 173.924 176.094 0.069 0.000 1.039 1033 V CA -1.808 60.565 62.300 0.121 0.000 0.913 1033 V CB 1.071 33.097 31.823 0.338 0.000 0.983 1033 V HN 0.293 nan 8.190 nan 0.000 0.460 1034 P HA -0.047 nan 4.420 nan 0.000 0.264 1034 P C 1.007 178.418 177.300 0.185 0.000 1.179 1034 P CA 0.324 63.397 63.100 -0.044 0.000 0.763 1034 P CB 0.319 31.769 31.700 -0.416 0.000 0.806 1035 H N 2.855 121.983 119.070 0.096 0.000 2.289 1035 H HA -0.192 4.364 4.556 0.000 0.000 0.294 1035 H C 1.941 177.420 175.328 0.251 0.000 1.095 1035 H CA 2.626 58.770 56.048 0.160 0.000 1.256 1035 H CB -0.573 29.247 29.762 0.097 0.000 1.359 1035 H HN 0.564 nan 8.280 nan 0.000 0.487 1036 G N -0.607 108.405 108.800 0.353 0.000 2.421 1036 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 1036 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 1036 G C 1.973 177.056 174.900 0.303 0.000 1.171 1036 G CA 0.815 46.134 45.100 0.366 0.000 0.775 1036 G HN 0.555 nan 8.290 nan 0.000 0.543 1037 G N 0.246 109.330 108.800 0.473 0.000 2.408 1037 G HA2 -0.157 3.803 3.960 0.000 0.000 0.217 1037 G HA3 -0.157 3.803 3.960 0.000 0.000 0.217 1037 G C 1.629 176.672 174.900 0.238 0.000 1.150 1037 G CA 0.860 46.190 45.100 0.382 0.000 0.776 1037 G HN 0.387 nan 8.290 nan 0.000 0.542 1038 F N 1.929 121.969 119.950 0.151 0.000 2.134 1038 F HA -0.063 4.464 4.527 0.000 0.000 0.299 1038 F C 2.306 178.122 175.800 0.027 0.000 1.097 1038 F CA 1.873 59.936 58.000 0.105 0.000 1.264 1038 F CB -0.143 38.886 39.000 0.049 0.000 1.001 1038 F HN 0.153 nan 8.300 nan 0.000 0.479 1039 N N -1.388 117.247 118.700 -0.108 0.000 2.409 1039 N HA -0.161 4.579 4.740 0.000 0.000 0.179 1039 N C 1.540 176.890 175.510 -0.267 0.000 1.032 1039 N CA 0.886 53.796 53.050 -0.234 0.000 0.898 1039 N CB -0.434 37.947 38.487 -0.177 0.000 0.971 1039 N HN 0.470 nan 8.380 nan 0.000 0.441 1040 Y N 1.129 121.151 120.300 -0.463 0.000 2.224 1040 Y HA -0.089 4.461 4.550 0.000 0.000 0.289 1040 Y C 1.674 177.342 175.900 -0.386 0.000 1.146 1040 Y CA 1.374 59.106 58.100 -0.614 0.000 1.182 1040 Y CB -0.095 37.617 38.460 -1.247 0.000 0.983 1040 Y HN 0.017 nan 8.280 nan 0.000 0.524 1041 I N -0.129 120.259 120.570 -0.303 0.000 2.277 1041 I HA -0.197 3.973 4.170 0.000 0.000 0.243 1041 I C 2.600 178.505 176.117 -0.354 0.000 1.094 1041 I CA 1.157 62.267 61.300 -0.316 0.000 1.393 1041 I CB -0.582 37.332 38.000 -0.145 0.000 1.078 1041 I HN 0.298 nan 8.210 nan 0.000 0.417 1042 A N 0.630 123.210 122.820 -0.400 0.000 1.970 1042 A HA 0.146 4.466 4.320 0.000 0.000 0.216 1042 A C 1.613 179.093 177.584 -0.173 0.000 1.170 1042 A CA 0.968 52.854 52.037 -0.253 0.000 0.645 1042 A CB -1.102 17.618 19.000 -0.466 0.000 0.816 1042 A HN 0.389 nan 8.150 nan 0.000 0.447 1043 G N -1.648 107.021 108.800 -0.218 0.000 2.634 1043 G HA2 0.547 4.507 3.960 0.000 0.000 0.255 1043 G HA3 0.547 4.507 3.960 0.000 0.000 0.255 1043 G C -0.129 174.707 174.900 -0.107 0.000 1.205 1043 G CA 0.324 45.342 45.100 -0.136 0.000 0.884 1043 G HN 1.073 nan 8.290 nan 0.000 0.549 1044 A N -0.674 122.118 122.820 -0.047 0.000 2.534 1044 A HA 0.803 5.123 4.320 0.000 0.000 0.300 1044 A C 0.030 177.626 177.584 0.020 0.000 1.223 1044 A CA -0.466 51.569 52.037 -0.005 0.000 0.666 1044 A CB 0.610 19.632 19.000 0.037 0.000 1.316 1044 A HN 0.937 nan 8.150 nan 0.000 0.468 1045 S N -0.242 115.502 115.700 0.074 0.000 2.592 1045 S HA 0.552 5.022 4.470 0.000 0.000 0.271 1045 S C 0.987 175.565 174.600 -0.036 0.000 1.326 1045 S CA 0.577 58.809 58.200 0.054 0.000 1.024 1045 S CB 0.755 64.035 63.200 0.134 0.000 0.921 1045 S HN 2.425 nan 8.310 nan 0.000 0.527 1046 G N 2.696 111.332 108.800 -0.273 0.000 2.566 1046 G HA2 -0.302 3.658 3.960 0.000 0.000 0.280 1046 G HA3 -0.302 3.658 3.960 0.000 0.000 0.280 1046 G C 0.021 174.737 174.900 -0.308 0.000 1.225 1046 G CA 0.438 45.143 45.100 -0.659 0.000 0.966 1046 G HN 0.866 nan 8.290 nan 0.000 0.560 1047 D N 1.167 121.416 120.400 -0.251 0.000 2.325 1047 D HA 0.211 4.851 4.640 0.000 0.000 0.234 1047 D C 0.952 177.344 176.300 0.152 0.000 1.122 1047 D CA 0.878 54.888 54.000 0.016 0.000 0.850 1047 D CB -0.438 40.410 40.800 0.080 0.000 0.921 1047 D HN 0.978 nan 8.370 nan 0.000 0.513 1048 E N -2.338 117.982 120.200 0.201 0.000 3.070 1048 E HA -0.282 4.068 4.350 0.000 0.000 0.285 1048 E C 0.213 176.985 176.600 0.286 0.000 0.972 1048 E CA 0.562 57.097 56.400 0.225 0.000 0.915 1048 E CB -2.271 27.493 29.700 0.106 0.000 1.466 1048 E HN 0.578 nan 8.360 nan 0.000 0.432 1049 W N 1.259 122.723 121.300 0.273 0.000 2.325 1049 W HA -0.210 4.450 4.660 0.000 0.000 0.299 1049 W C 2.314 178.871 176.519 0.064 0.000 1.215 1049 W CA 2.340 59.778 57.345 0.156 0.000 1.244 1049 W CB -0.130 29.425 29.460 0.159 0.000 1.140 1049 W HN 0.071 nan 8.180 nan 0.000 0.523 1050 T N 0.111 114.849 114.554 0.307 0.000 2.904 1050 T HA -0.192 4.158 4.350 0.000 0.000 0.267 1050 T C 1.700 176.374 174.700 -0.044 0.000 1.059 1050 T CA 1.555 63.702 62.100 0.079 0.000 1.137 1050 T CB -0.272 68.694 68.868 0.163 0.000 0.879 1050 T HN 0.159 nan 8.240 nan 0.000 0.467 1051 K N 1.137 121.549 120.400 0.021 0.000 2.026 1051 K HA -0.080 4.240 4.320 0.000 0.000 0.208 1051 K C 2.500 179.052 176.600 -0.079 0.000 1.048 1051 K CA 1.149 57.432 56.287 -0.007 0.000 0.929 1051 K CB -0.063 32.457 32.500 0.033 0.000 0.713 1051 K HN 0.111 nan 8.250 nan 0.000 0.439 1052 R N 0.018 120.429 120.500 -0.148 0.000 2.091 1052 R HA -0.138 4.202 4.340 0.000 0.000 0.238 1052 R C 2.102 178.174 176.300 -0.379 0.000 1.136 1052 R CA 1.445 57.394 56.100 -0.253 0.000 0.959 1052 R CB -0.298 29.812 30.300 -0.317 0.000 0.856 1052 R HN 0.296 nan 8.270 nan 0.000 0.437 1053 A N 1.115 123.607 122.820 -0.547 0.000 1.933 1053 A HA -0.182 4.138 4.320 0.000 0.000 0.218 1053 A C 1.746 179.142 177.584 -0.312 0.000 1.175 1053 A CA 1.630 53.338 52.037 -0.548 0.000 0.628 1053 A CB -0.586 18.000 19.000 -0.689 0.000 0.814 1053 A HN 0.398 nan 8.150 nan 0.000 0.444 1054 N N 0.164 118.738 118.700 -0.210 0.000 2.104 1054 N HA -0.172 4.568 4.740 0.000 0.000 0.190 1054 N C 1.426 176.826 175.510 -0.184 0.000 1.024 1054 N CA 1.810 54.767 53.050 -0.154 0.000 0.853 1054 N CB -0.445 38.020 38.487 -0.038 0.000 1.008 1054 N HN 0.660 nan 8.380 nan 0.000 0.424 1055 D N 0.146 120.504 120.400 -0.069 0.000 2.137 1055 D HA 0.055 4.696 4.640 0.000 0.000 0.202 1055 D C 1.750 178.064 176.300 0.023 0.000 0.970 1055 D CA 0.729 54.792 54.000 0.105 0.000 0.837 1055 D CB 0.210 41.093 40.800 0.138 0.000 0.981 1055 D HN 0.120 nan 8.370 nan 0.000 0.475 1056 R N -0.064 120.335 120.500 -0.168 0.000 2.193 1056 R HA 0.154 4.494 4.340 0.000 0.000 0.213 1056 R C 2.188 178.315 176.300 -0.288 0.000 1.055 1056 R CA 0.693 56.706 56.100 -0.146 0.000 0.995 1056 R CB -0.076 30.068 30.300 -0.259 0.000 0.893 1056 R HN 0.112 nan 8.270 nan 0.000 0.459 1057 A N 0.695 123.210 122.820 -0.509 0.000 1.978 1057 A HA -0.180 4.140 4.320 0.000 0.000 0.220 1057 A C 1.500 178.822 177.584 -0.437 0.000 1.170 1057 A CA 1.051 52.616 52.037 -0.786 0.000 0.636 1057 A CB -0.841 17.879 19.000 -0.466 0.000 0.810 1057 A HN 0.483 nan 8.150 nan 0.000 0.448 1058 W N -0.429 120.755 121.300 -0.194 0.000 2.421 1058 W HA -0.085 4.575 4.660 0.000 0.000 0.270 1058 W C 1.761 178.279 176.519 -0.003 0.000 1.233 1058 W CA 1.038 58.239 57.345 -0.240 0.000 1.226 1058 W CB 0.055 29.239 29.460 -0.460 0.000 1.121 1058 W HN 0.096 nan 8.180 nan 0.000 0.579 1059 K N -0.706 119.830 120.400 0.226 0.000 2.444 1059 K HA 0.017 4.337 4.320 0.000 0.000 0.193 1059 K C 1.097 177.936 176.600 0.399 0.000 1.024 1059 K CA 0.721 57.185 56.287 0.294 0.000 1.077 1059 K CB -0.526 32.163 32.500 0.316 0.000 0.833 1059 K HN 0.386 nan 8.250 nan 0.000 0.517 1060 H N -0.367 118.876 119.070 0.288 0.000 2.470 1060 H HA 0.094 4.650 4.556 0.000 0.000 0.289 1060 H C -0.109 175.365 175.328 0.243 0.000 1.033 1060 H CA 0.462 56.647 56.048 0.228 0.000 1.331 1060 H CB 0.507 30.357 29.762 0.145 0.000 1.414 1060 H HN -0.209 nan 8.280 nan 0.000 0.545 1061 K N 1.420 122.086 120.400 0.444 0.000 2.507 1061 K HA 0.366 4.686 4.320 0.000 0.000 0.252 1061 K C -1.119 175.689 176.600 0.345 0.000 0.943 1061 K CA -0.220 56.293 56.287 0.377 0.000 0.808 1061 K CB 2.737 35.497 32.500 0.433 0.000 1.142 1061 K HN 0.058 nan 8.250 nan 0.000 0.426 1062 L N 3.141 124.542 121.223 0.297 0.000 2.330 1062 L HA 0.540 4.880 4.340 0.000 0.000 0.271 1062 L C 0.130 177.051 176.870 0.085 0.000 1.013 1062 L CA -1.263 53.681 54.840 0.174 0.000 0.816 1062 L CB 1.225 43.348 42.059 0.107 0.000 1.287 1062 L HN 0.315 nan 8.230 nan 0.000 0.435 1063 L N 1.558 122.807 121.223 0.043 0.000 2.397 1063 L HA 0.254 4.594 4.340 0.000 0.000 0.271 1063 L C -0.851 176.012 176.870 -0.012 0.000 1.148 1063 L CA -0.180 54.696 54.840 0.059 0.000 0.825 1063 L CB 0.340 42.433 42.059 0.056 0.000 1.117 1063 L HN 0.359 nan 8.230 nan 0.000 0.456 1064 Y N 3.046 123.393 120.300 0.079 0.000 2.308 1064 Y HA 0.291 4.841 4.550 0.000 0.000 0.329 1064 Y C -1.680 174.234 175.900 0.024 0.000 1.111 1064 Y CA -2.000 56.129 58.100 0.049 0.000 1.179 1064 Y CB 0.545 39.051 38.460 0.077 0.000 1.201 1064 Y HN 0.397 nan 8.280 nan 0.000 0.483 1065 P HA 0.310 nan 4.420 nan 0.000 0.277 1065 P C -0.849 176.516 177.300 0.108 0.000 1.240 1065 P CA -0.471 62.689 63.100 0.099 0.000 0.798 1065 P CB 1.149 32.880 31.700 0.051 0.000 0.979 1066 R N 1.572 122.111 120.500 0.064 0.000 2.621 1066 R HA 0.556 4.896 4.340 0.000 0.000 0.284 1066 R C -0.360 175.954 176.300 0.023 0.000 0.998 1066 R CA -0.845 55.280 56.100 0.040 0.000 0.895 1066 R CB 1.494 31.814 30.300 0.032 0.000 1.195 1066 R HN 0.453 nan 8.270 nan 0.000 0.450 1067 L N -1.485 119.747 121.223 0.014 0.000 2.301 1067 L HA 0.868 5.208 4.340 0.000 0.000 0.264 1067 L C 0.610 177.483 176.870 0.005 0.000 1.016 1067 L CA -0.925 53.921 54.840 0.010 0.000 0.821 1067 L CB 1.110 43.175 42.059 0.010 0.000 1.346 1067 L HN 0.731 nan 8.230 nan 0.000 0.429 1068 A N -0.226 122.596 122.820 0.003 0.000 2.704 1068 A HA -0.152 4.168 4.320 0.000 0.000 0.299 1068 A C 0.516 178.101 177.584 0.001 0.000 1.507 1068 A CA 0.972 53.010 52.037 0.002 0.000 0.776 1068 A CB -2.132 16.868 19.000 0.001 0.000 1.027 1068 A HN 0.716 nan 8.150 nan 0.000 0.475 1069 Q N -0.364 119.437 119.800 0.003 0.000 2.185 1069 Q HA 0.436 4.776 4.340 0.000 0.000 0.225 1069 Q C 0.141 176.142 176.000 0.003 0.000 0.983 1069 Q CA -0.101 55.704 55.803 0.003 0.000 0.950 1069 Q CB 0.694 29.436 28.738 0.007 0.000 1.176 1069 Q HN 0.604 nan 8.270 nan 0.000 0.510 1070 D N 0.418 120.820 120.400 0.003 0.000 2.736 1070 D HA 0.320 4.960 4.640 0.000 0.000 0.293 1070 D C -1.448 174.853 176.300 0.001 0.000 1.241 1070 D CA -0.240 53.761 54.000 0.001 0.000 0.965 1070 D CB -0.016 40.785 40.800 0.001 0.000 0.992 1070 D HN 0.048 nan 8.370 nan 0.000 0.510 1071 V N 2.022 121.936 119.914 0.001 0.000 2.604 1071 V HA 0.421 4.541 4.120 0.000 0.000 0.305 1071 V C 0.714 176.807 176.094 -0.001 0.000 1.043 1071 V CA -0.541 61.760 62.300 0.001 0.000 0.888 1071 V CB 1.955 33.780 31.823 0.003 0.000 0.995 1071 V HN 0.436 nan 8.190 nan 0.000 0.429 1072 E N 3.476 123.675 120.200 -0.002 0.000 2.940 1072 E HA 0.483 4.833 4.350 0.000 0.000 0.203 1072 E C 0.433 177.030 176.600 -0.005 0.000 0.995 1072 E CA 0.603 57.001 56.400 -0.004 0.000 1.396 1072 E CB 1.004 30.701 29.700 -0.004 0.000 1.310 1072 E HN 0.731 nan 8.360 nan 0.000 0.613 1073 A N 2.447 125.264 122.820 -0.005 0.000 2.763 1073 A HA 0.517 4.837 4.320 0.000 0.000 0.325 1073 A C -2.727 174.853 177.584 -0.007 0.000 1.209 1073 A CA -1.337 50.696 52.037 -0.007 0.000 0.764 1073 A CB 0.580 19.575 19.000 -0.007 0.000 1.120 1073 A HN 0.065 nan 8.150 nan 0.000 0.463 1074 P HA 0.247 nan 4.420 nan 0.000 0.270 1074 P C -0.766 176.530 177.300 -0.007 0.000 1.223 1074 P CA 0.106 63.203 63.100 -0.004 0.000 0.785 1074 P CB 0.703 32.401 31.700 -0.002 0.000 0.923 1075 D N 0.072 120.468 120.400 -0.007 0.000 2.425 1075 D HA 0.135 4.775 4.640 0.000 0.000 0.240 1075 D C 0.602 176.893 176.300 -0.016 0.000 1.080 1075 D CA -0.393 53.598 54.000 -0.015 0.000 0.836 1075 D CB 0.733 41.524 40.800 -0.015 0.000 1.125 1075 D HN 0.289 nan 8.370 nan 0.000 0.525 1076 T N -0.049 114.492 114.554 -0.022 0.000 3.129 1076 T HA 0.073 4.423 4.350 0.000 0.000 0.251 1076 T C 0.916 175.581 174.700 -0.059 0.000 1.117 1076 T CA -0.165 61.919 62.100 -0.026 0.000 1.034 1076 T CB -0.316 68.547 68.868 -0.008 0.000 0.968 1076 T HN 0.288 nan 8.240 nan 0.000 0.526 1077 S N 0.612 116.276 115.700 -0.059 0.000 2.576 1077 S HA 0.540 5.010 4.470 0.000 0.000 0.276 1077 S C 0.001 174.572 174.600 -0.048 0.000 1.339 1077 S CA -0.491 57.666 58.200 -0.072 0.000 1.039 1077 S CB 1.321 64.482 63.200 -0.066 0.000 0.902 1077 S HN 0.424 nan 8.310 nan 0.000 0.516 1078 T N 0.072 114.597 114.554 -0.049 0.000 2.647 1078 T HA 0.531 4.881 4.350 0.000 0.000 0.295 1078 T C -2.102 172.599 174.700 0.000 0.000 1.126 1078 T CA -0.702 61.387 62.100 -0.018 0.000 1.040 1078 T CB 1.672 70.532 68.868 -0.014 0.000 1.472 1078 T HN 0.892 nan 8.240 nan 0.000 0.500 1079 E N 0.770 120.988 120.200 0.030 0.000 2.292 1079 E HA 0.667 5.017 4.350 0.000 0.000 0.272 1079 E C -1.710 174.952 176.600 0.103 0.000 0.881 1079 E CA -0.716 55.721 56.400 0.062 0.000 0.754 1079 E CB 1.763 31.492 29.700 0.049 0.000 1.201 1079 E HN 0.588 nan 8.360 nan 0.000 0.425 1080 I N 5.695 126.368 120.570 0.172 0.000 2.534 1080 I HA 0.288 4.458 4.170 0.000 0.000 0.288 1080 I C -0.363 175.975 176.117 0.368 0.000 1.077 1080 I CA -0.656 60.799 61.300 0.258 0.000 1.051 1080 I CB 0.971 39.155 38.000 0.307 0.000 1.234 1080 I HN 0.896 nan 8.210 nan 0.000 0.425 1081 L N 7.871 129.261 121.223 0.279 0.000 3.781 1081 L HA -0.286 4.054 4.340 0.000 0.000 0.426 1081 L C 1.051 178.001 176.870 0.134 0.000 1.197 1081 L CA 0.900 55.884 54.840 0.240 0.000 0.907 1081 L CB -1.955 40.317 42.059 0.355 0.000 1.812 1081 L HN 1.164 nan 8.230 nan 0.000 0.956 1082 G N -1.670 107.164 108.800 0.056 0.000 2.195 1082 G HA2 -0.283 3.677 3.960 0.000 0.000 0.246 1082 G HA3 -0.283 3.677 3.960 0.000 0.000 0.246 1082 G C 0.014 174.821 174.900 -0.154 0.000 0.984 1082 G CA 0.429 45.483 45.100 -0.077 0.000 0.633 1082 G HN 0.647 nan 8.290 nan 0.000 0.525 1083 H N 0.991 120.137 119.070 0.127 0.000 2.519 1083 H HA 0.542 5.098 4.556 0.000 0.000 0.316 1083 H C 0.227 175.577 175.328 0.035 0.000 1.065 1083 H CA -0.391 55.706 56.048 0.081 0.000 1.264 1083 H CB 0.922 30.731 29.762 0.080 0.000 1.413 1083 H HN 0.188 nan 8.280 nan 0.000 0.465 1084 K N 4.779 125.245 120.400 0.109 0.000 2.312 1084 K HA 0.284 4.604 4.320 0.000 0.000 0.287 1084 K C -0.115 176.496 176.600 0.018 0.000 1.062 1084 K CA -0.209 56.105 56.287 0.045 0.000 0.934 1084 K CB 0.614 33.123 32.500 0.015 0.000 1.027 1084 K HN 0.552 nan 8.250 nan 0.000 0.478 1085 I N -1.142 119.414 120.570 -0.024 0.000 2.846 1085 I HA 0.397 4.567 4.170 0.000 0.000 0.307 1085 I C 0.352 176.391 176.117 -0.130 0.000 1.053 1085 I CA -1.168 60.085 61.300 -0.079 0.000 1.050 1085 I CB 1.964 39.903 38.000 -0.101 0.000 1.239 1085 I HN 0.175 nan 8.210 nan 0.000 0.439 1086 K N 2.285 122.564 120.400 -0.202 0.000 2.366 1086 K HA 0.411 4.731 4.320 0.000 0.000 0.198 1086 K C 0.127 176.584 176.600 -0.238 0.000 1.044 1086 K CA 0.782 56.901 56.287 -0.279 0.000 0.973 1086 K CB 0.055 32.211 32.500 -0.574 0.000 0.767 1086 K HN 0.790 nan 8.250 nan 0.000 0.475 1087 A N -0.037 122.616 122.820 -0.280 0.000 2.594 1087 A HA 0.462 4.782 4.320 0.000 0.000 0.295 1087 A C -2.710 174.576 177.584 -0.496 0.000 1.071 1087 A CA -1.171 50.613 52.037 -0.421 0.000 0.685 1087 A CB 1.240 19.782 19.000 -0.765 0.000 1.285 1087 A HN -0.084 nan 8.150 nan 0.000 0.405 1088 P HA 0.313 nan 4.420 nan 0.000 0.226 1088 P C -1.029 176.234 177.300 -0.063 0.000 1.758 1088 P CA 0.399 63.416 63.100 -0.138 0.000 0.896 1088 P CB -1.278 30.410 31.700 -0.019 0.000 1.784 1089 F N -0.047 119.858 119.950 -0.075 0.000 2.613 1089 F HA 0.735 5.262 4.527 0.000 0.000 0.310 1089 F C -0.430 175.260 175.800 -0.183 0.000 1.085 1089 F CA -1.812 56.089 58.000 -0.166 0.000 0.945 1089 F CB 1.198 40.045 39.000 -0.256 0.000 1.298 1089 F HN -0.134 nan 8.300 nan 0.000 0.455 1090 I N -0.174 120.401 120.570 0.008 0.000 3.322 1090 I HA 0.742 4.912 4.170 0.000 0.000 0.313 1090 I C -1.293 174.788 176.117 -0.059 0.000 1.129 1090 I CA -1.456 59.778 61.300 -0.110 0.000 0.963 1090 I CB 2.194 40.001 38.000 -0.322 0.000 1.273 1090 I HN 0.754 nan 8.210 nan 0.000 0.473 1091 M N 3.041 122.606 119.600 -0.059 0.000 2.209 1091 M HA 0.663 5.143 4.480 0.000 0.000 0.355 1091 M C -0.262 176.075 176.300 0.062 0.000 1.171 1091 M CA -0.230 55.062 55.300 -0.012 0.000 1.069 1091 M CB 0.956 33.564 32.600 0.014 0.000 1.622 1091 M HN 0.774 nan 8.290 nan 0.000 0.459 1092 A N 7.165 130.030 122.820 0.074 0.000 2.407 1092 A HA 0.627 4.947 4.320 0.000 0.000 0.248 1092 A C -2.401 175.225 177.584 0.070 0.000 1.082 1092 A CA -1.176 50.957 52.037 0.161 0.000 0.785 1092 A CB -0.735 18.314 19.000 0.081 0.000 1.020 1092 A HN 0.693 nan 8.150 nan 0.000 0.489 1093 P HA 0.345 nan 4.420 nan 0.000 0.276 1093 P C -0.966 176.321 177.300 -0.021 0.000 1.253 1093 P CA 0.573 63.639 63.100 -0.056 0.000 0.766 1093 P CB 0.451 32.004 31.700 -0.245 0.000 0.845 1094 I N 2.414 123.074 120.570 0.149 0.000 2.499 1094 I HA 0.399 4.569 4.170 0.000 0.000 0.288 1094 I C 0.400 176.752 176.117 0.391 0.000 1.048 1094 I CA -1.156 60.263 61.300 0.198 0.000 1.062 1094 I CB 2.274 40.313 38.000 0.065 0.000 1.238 1094 I HN 0.302 nan 8.210 nan 0.000 0.426 1095 A N 4.874 127.921 122.820 0.379 0.000 2.425 1095 A HA 0.583 4.903 4.320 0.000 0.000 0.242 1095 A C 0.946 178.856 177.584 0.543 0.000 1.077 1095 A CA 0.456 52.767 52.037 0.455 0.000 0.781 1095 A CB 0.187 19.509 19.000 0.538 0.000 1.020 1095 A HN 1.686 nan 8.150 nan 0.000 0.494 1096 A N 1.140 124.247 122.820 0.477 0.000 2.519 1096 A HA -0.180 4.140 4.320 0.000 0.000 0.297 1096 A C 0.703 178.643 177.584 0.594 0.000 1.472 1096 A CA 1.236 53.619 52.037 0.577 0.000 0.739 1096 A CB -2.723 16.635 19.000 0.596 0.000 1.096 1096 A HN 1.094 nan 8.150 nan 0.000 0.414 1097 H N -0.353 118.864 119.070 0.246 0.000 2.518 1097 H HA -0.034 4.522 4.556 0.000 0.000 0.289 1097 H C 2.293 177.765 175.328 0.240 0.000 1.051 1097 H CA 0.667 56.843 56.048 0.212 0.000 1.280 1097 H CB 0.196 30.042 29.762 0.141 0.000 1.380 1097 H HN 0.771 nan 8.280 nan 0.000 0.566 1098 G N 1.046 110.029 108.800 0.304 0.000 2.498 1098 G HA2 -0.190 3.770 3.960 0.000 0.000 0.219 1098 G HA3 -0.190 3.770 3.960 0.000 0.000 0.219 1098 G C 1.641 176.858 174.900 0.529 0.000 1.119 1098 G CA 0.213 45.454 45.100 0.236 0.000 0.766 1098 G HN 0.283 nan 8.290 nan 0.000 0.552 1099 L N 0.087 121.639 121.223 0.549 0.000 2.191 1099 L HA -0.016 4.324 4.340 0.000 0.000 0.212 1099 L C 3.147 180.330 176.870 0.521 0.000 1.103 1099 L CA 1.029 56.108 54.840 0.399 0.000 0.769 1099 L CB -0.206 42.005 42.059 0.252 0.000 0.908 1099 L HN 0.318 nan 8.230 nan 0.000 0.438 1100 A N -2.100 120.969 122.820 0.415 0.000 1.997 1100 A HA 0.048 4.368 4.320 0.000 0.000 0.212 1100 A C 0.461 178.282 177.584 0.395 0.000 1.178 1100 A CA 0.481 52.739 52.037 0.369 0.000 0.698 1100 A CB 0.002 19.162 19.000 0.267 0.000 0.842 1100 A HN 0.481 nan 8.150 nan 0.000 0.458 1101 H N -2.754 116.469 119.070 0.256 0.000 3.112 1101 H HA 0.283 4.839 4.556 0.000 0.000 0.347 1101 H C 1.085 176.521 175.328 0.181 0.000 1.188 1101 H CA 0.210 56.377 56.048 0.197 0.000 1.240 1101 H CB 1.081 30.940 29.762 0.162 0.000 1.920 1101 H HN 0.067 nan 8.280 nan 0.000 0.535 1102 T N -0.677 113.842 114.554 -0.058 0.000 2.833 1102 T HA -0.203 4.147 4.350 0.000 0.000 0.269 1102 T C 1.772 176.559 174.700 0.145 0.000 1.054 1102 T CA 1.747 63.870 62.100 0.038 0.000 1.135 1102 T CB -0.625 68.217 68.868 -0.043 0.000 0.869 1102 T HN 0.693 nan 8.240 nan 0.000 0.466 1103 T N 0.310 115.088 114.554 0.373 0.000 3.072 1103 T HA 0.075 4.425 4.350 0.000 0.000 0.266 1103 T C 1.105 175.919 174.700 0.191 0.000 1.127 1103 T CA 0.624 62.894 62.100 0.282 0.000 1.107 1103 T CB -0.670 68.390 68.868 0.320 0.000 0.910 1103 T HN 0.917 nan 8.240 nan 0.000 0.513 1104 K N 0.628 121.164 120.400 0.226 0.000 2.086 1104 K HA -0.383 3.937 4.320 0.000 0.000 0.169 1104 K C 0.638 177.330 176.600 0.153 0.000 1.526 1104 K CA 1.806 58.197 56.287 0.173 0.000 0.602 1104 K CB -1.435 31.070 32.500 0.009 0.000 0.605 1104 K HN 0.222 nan 8.250 nan 0.000 0.921 1105 E N 0.449 120.650 120.200 0.001 0.000 2.204 1105 E HA -0.076 4.274 4.350 0.000 0.000 0.195 1105 E C 2.064 178.654 176.600 -0.016 0.000 0.990 1105 E CA 1.881 58.199 56.400 -0.136 0.000 0.821 1105 E CB -0.283 29.239 29.700 -0.297 0.000 0.750 1105 E HN 0.541 nan 8.360 nan 0.000 0.477 1106 A N 0.522 123.340 122.820 -0.003 0.000 1.972 1106 A HA -0.067 4.253 4.320 0.000 0.000 0.219 1106 A C 2.371 179.977 177.584 0.037 0.000 1.169 1106 A CA 1.680 53.715 52.037 -0.003 0.000 0.635 1106 A CB -1.032 17.954 19.000 -0.022 0.000 0.810 1106 A HN 0.363 nan 8.150 nan 0.000 0.446 1107 G N -1.080 107.781 108.800 0.100 0.000 2.394 1107 G HA2 -0.099 3.861 3.960 0.000 0.000 0.214 1107 G HA3 -0.099 3.861 3.960 0.000 0.000 0.214 1107 G C 1.580 176.594 174.900 0.190 0.000 1.176 1107 G CA 1.547 46.742 45.100 0.159 0.000 0.786 1107 G HN 0.410 nan 8.290 nan 0.000 0.533 1108 T N 1.981 116.653 114.554 0.196 0.000 2.684 1108 T HA -0.088 4.262 4.350 0.000 0.000 0.267 1108 T C 2.812 177.611 174.700 0.164 0.000 1.036 1108 T CA 1.766 63.996 62.100 0.216 0.000 1.148 1108 T CB -0.512 68.564 68.868 0.347 0.000 0.863 1108 T HN 0.370 nan 8.240 nan 0.000 0.436 1109 A N 1.539 124.422 122.820 0.104 0.000 1.917 1109 A HA -0.185 4.135 4.320 0.000 0.000 0.219 1109 A C 2.294 179.909 177.584 0.051 0.000 1.182 1109 A CA 2.141 54.214 52.037 0.060 0.000 0.633 1109 A CB -0.655 18.353 19.000 0.014 0.000 0.819 1109 A HN 0.462 nan 8.150 nan 0.000 0.448 1110 R N -0.503 120.009 120.500 0.021 0.000 2.073 1110 R HA -0.073 4.267 4.340 0.000 0.000 0.234 1110 R C 2.325 178.690 176.300 0.107 0.000 1.134 1110 R CA 1.507 57.558 56.100 -0.082 0.000 0.952 1110 R CB -0.449 29.637 30.300 -0.357 0.000 0.850 1110 R HN 0.432 nan 8.270 nan 0.000 0.433 1111 A N 0.164 123.189 122.820 0.342 0.000 1.883 1111 A HA -0.124 4.196 4.320 0.000 0.000 0.217 1111 A C 2.268 180.119 177.584 0.445 0.000 1.186 1111 A CA 1.754 54.132 52.037 0.569 0.000 0.624 1111 A CB -0.654 18.626 19.000 0.467 0.000 0.822 1111 A HN 0.235 nan 8.150 nan 0.000 0.444 1112 V N -0.696 119.377 119.914 0.265 0.000 2.295 1112 V HA -0.206 3.914 4.120 0.000 0.000 0.246 1112 V C 2.802 179.028 176.094 0.219 0.000 1.049 1112 V CA 2.322 64.747 62.300 0.208 0.000 1.024 1112 V CB -0.802 31.087 31.823 0.111 0.000 0.648 1112 V HN 0.637 nan 8.190 nan 0.000 0.447 1113 S N -0.775 115.013 115.700 0.147 0.000 2.356 1113 S HA -0.219 4.251 4.470 0.000 0.000 0.223 1113 S C 1.999 176.680 174.600 0.135 0.000 1.032 1113 S CA 1.752 60.009 58.200 0.094 0.000 1.005 1113 S CB -0.250 62.966 63.200 0.027 0.000 0.867 1113 S HN 0.681 nan 8.310 nan 0.000 0.449 1114 E N -0.475 119.845 120.200 0.200 0.000 2.106 1114 E HA -0.114 4.236 4.350 0.000 0.000 0.192 1114 E C 1.802 178.647 176.600 0.408 0.000 0.984 1114 E CA 0.962 57.510 56.400 0.247 0.000 0.806 1114 E CB -0.274 29.571 29.700 0.241 0.000 0.750 1114 E HN 0.671 nan 8.360 nan 0.000 0.458 1115 F N 0.867 121.058 119.950 0.401 0.000 2.146 1115 F HA -0.035 4.492 4.527 0.000 0.000 0.298 1115 F C 1.319 177.185 175.800 0.110 0.000 1.096 1115 F CA 1.876 60.036 58.000 0.267 0.000 1.275 1115 F CB 0.213 39.242 39.000 0.048 0.000 1.008 1115 F HN 0.079 nan 8.300 nan 0.000 0.480 1116 G N 0.615 109.467 108.800 0.087 0.000 2.245 1116 G HA2 -0.054 3.906 3.960 0.000 0.000 0.130 1116 G HA3 -0.054 3.906 3.960 0.000 0.000 0.130 1116 G C 0.082 174.980 174.900 -0.003 0.000 1.040 1116 G CA 0.116 45.170 45.100 -0.077 0.000 0.713 1116 G HN 0.657 nan 8.290 nan 0.000 0.488 1117 T N -0.862 113.774 114.554 0.137 0.000 2.645 1117 T HA 0.769 5.119 4.350 0.000 0.000 0.273 1117 T C -0.122 174.521 174.700 -0.096 0.000 0.960 1117 T CA -0.590 61.521 62.100 0.018 0.000 1.051 1117 T CB 1.083 69.987 68.868 0.061 0.000 1.366 1117 T HN 0.429 nan 8.240 nan 0.000 0.536 1118 I N 2.253 122.675 120.570 -0.246 0.000 2.353 1118 I HA 0.418 4.589 4.170 0.000 0.000 0.293 1118 I C -0.110 175.835 176.117 -0.286 0.000 0.992 1118 I CA -0.646 60.398 61.300 -0.427 0.000 1.268 1118 I CB 1.583 39.025 38.000 -0.929 0.000 1.387 1118 I HN 0.534 nan 8.210 nan 0.000 0.478 1119 M N 6.069 125.553 119.600 -0.194 0.000 2.144 1119 M HA 0.311 4.791 4.480 0.000 0.000 0.356 1119 M C -0.663 175.619 176.300 -0.031 0.000 1.217 1119 M CA 0.419 55.679 55.300 -0.067 0.000 1.087 1119 M CB 0.868 33.465 32.600 -0.004 0.000 1.609 1119 M HN 0.461 nan 8.290 nan 0.000 0.467 1120 S N 6.178 121.901 115.700 0.039 0.000 2.462 1120 S HA 0.629 5.099 4.470 0.000 0.000 0.294 1120 S C -0.367 174.283 174.600 0.083 0.000 1.144 1120 S CA -0.668 57.602 58.200 0.116 0.000 1.088 1120 S CB 0.452 63.750 63.200 0.163 0.000 1.009 1120 S HN 0.703 nan 8.310 nan 0.000 0.484 1121 I N 2.425 123.057 120.570 0.103 0.000 2.312 1121 I HA 0.239 4.409 4.170 0.000 0.000 0.290 1121 I C 0.555 176.657 176.117 -0.024 0.000 1.008 1121 I CA -0.331 61.032 61.300 0.105 0.000 1.226 1121 I CB 1.533 39.699 38.000 0.276 0.000 1.371 1121 I HN 0.529 nan 8.210 nan 0.000 0.468 1122 S N 4.590 120.277 115.700 -0.021 0.000 2.549 1122 S HA 0.258 4.728 4.470 0.000 0.000 0.279 1122 S C 1.389 175.994 174.600 0.009 0.000 1.321 1122 S CA -0.087 58.066 58.200 -0.080 0.000 1.054 1122 S CB 1.214 64.461 63.200 0.079 0.000 0.899 1122 S HN 0.743 nan 8.310 nan 0.000 0.497 1123 A N 5.198 127.931 122.820 -0.145 0.000 2.084 1123 A HA -0.060 4.260 4.320 0.000 0.000 0.221 1123 A C 0.932 178.779 177.584 0.438 0.000 1.161 1123 A CA 1.334 53.492 52.037 0.201 0.000 0.653 1123 A CB -0.576 18.520 19.000 0.159 0.000 0.802 1123 A HN 0.901 nan 8.150 nan 0.000 0.457 1124 Y N 1.024 121.446 120.300 0.204 0.000 2.645 1124 Y HA 0.240 4.790 4.550 0.000 0.000 0.307 1124 Y C 0.789 176.741 175.900 0.087 0.000 1.151 1124 Y CA -1.274 56.891 58.100 0.108 0.000 1.291 1124 Y CB -1.250 37.261 38.460 0.084 0.000 1.135 1124 Y HN 0.131 nan 8.280 nan 0.000 0.523 1125 S N -0.247 115.593 115.700 0.233 0.000 2.563 1125 S HA 0.142 4.612 4.470 0.000 0.000 0.284 1125 S C 1.608 176.261 174.600 0.088 0.000 1.331 1125 S CA 0.292 58.567 58.200 0.124 0.000 1.047 1125 S CB 1.265 64.505 63.200 0.066 0.000 0.859 1125 S HN 0.612 nan 8.310 nan 0.000 0.514 1126 G N 0.277 109.089 108.800 0.020 0.000 2.813 1126 G HA2 0.398 4.358 3.960 0.000 0.000 0.209 1126 G HA3 0.398 4.358 3.960 0.000 0.000 0.209 1126 G C 0.270 175.069 174.900 -0.169 0.000 1.150 1126 G CA 0.290 45.303 45.100 -0.144 0.000 0.785 1126 G HN 0.939 nan 8.290 nan 0.000 0.535 1127 A N 0.393 123.155 122.820 -0.095 0.000 2.325 1127 A HA 0.710 5.030 4.320 0.000 0.000 0.333 1127 A C 0.545 178.134 177.584 0.009 0.000 1.155 1127 A CA -0.093 51.902 52.037 -0.070 0.000 0.814 1127 A CB 0.757 19.706 19.000 -0.086 0.000 1.206 1127 A HN 0.355 nan 8.150 nan 0.000 0.482 1128 T N -0.699 113.868 114.554 0.022 0.000 2.828 1128 T HA 0.350 4.700 4.350 0.000 0.000 0.290 1128 T C 1.056 175.829 174.700 0.121 0.000 1.019 1128 T CA 0.324 62.511 62.100 0.145 0.000 1.031 1128 T CB 0.100 69.062 68.868 0.158 0.000 1.001 1128 T HN 1.173 nan 8.240 nan 0.000 0.531 1129 F N 0.810 120.749 119.950 -0.017 0.000 2.087 1129 F HA -0.140 4.387 4.527 0.000 0.000 0.299 1129 F C 2.237 178.027 175.800 -0.016 0.000 1.100 1129 F CA 1.690 59.679 58.000 -0.019 0.000 1.226 1129 F CB -1.375 37.598 39.000 -0.044 0.000 0.983 1129 F HN 0.837 nan 8.300 nan 0.000 0.479 1130 E N 0.419 119.610 120.200 -1.682 0.000 2.106 1130 E HA -0.202 4.148 4.350 0.000 0.000 0.192 1130 E C 1.930 178.230 176.600 -0.499 0.000 0.984 1130 E CA 1.396 57.065 56.400 -1.218 0.000 0.806 1130 E CB -0.565 28.330 29.700 -1.343 0.000 0.750 1130 E HN 0.686 nan 8.360 nan 0.000 0.458 1131 E N 0.573 120.562 120.200 -0.350 0.000 2.077 1131 E HA -0.137 4.213 4.350 0.000 0.000 0.193 1131 E C 2.156 178.675 176.600 -0.135 0.000 0.989 1131 E CA 1.394 57.683 56.400 -0.186 0.000 0.800 1131 E CB -0.059 29.565 29.700 -0.126 0.000 0.746 1131 E HN 0.415 nan 8.360 nan 0.000 0.452 1132 I N 0.417 120.917 120.570 -0.116 0.000 2.286 1132 I HA -0.222 3.948 4.170 0.000 0.000 0.245 1132 I C 2.416 178.494 176.117 -0.066 0.000 1.104 1132 I CA 0.548 61.810 61.300 -0.065 0.000 1.397 1132 I CB -0.155 37.834 38.000 -0.019 0.000 1.072 1132 I HN -0.006 nan 8.210 nan 0.000 0.417 1133 S N 0.458 116.103 115.700 -0.093 0.000 2.374 1133 S HA -0.241 4.229 4.470 0.000 0.000 0.227 1133 S C 1.853 176.401 174.600 -0.086 0.000 1.037 1133 S CA 1.584 59.736 58.200 -0.080 0.000 1.024 1133 S CB -0.300 62.835 63.200 -0.108 0.000 0.861 1133 S HN 0.469 nan 8.310 nan 0.000 0.456 1134 E N 0.123 120.254 120.200 -0.114 0.000 2.110 1134 E HA -0.096 4.254 4.350 0.000 0.000 0.193 1134 E C 2.336 178.877 176.600 -0.098 0.000 0.988 1134 E CA 0.916 57.255 56.400 -0.102 0.000 0.804 1134 E CB -0.378 29.258 29.700 -0.107 0.000 0.745 1134 E HN 0.579 nan 8.360 nan 0.000 0.458 1135 G N 1.137 109.882 108.800 -0.091 0.000 2.402 1135 G HA2 -0.199 3.762 3.960 0.000 0.000 0.216 1135 G HA3 -0.199 3.762 3.960 0.000 0.000 0.216 1135 G C 1.566 176.414 174.900 -0.086 0.000 1.162 1135 G CA 0.315 45.357 45.100 -0.097 0.000 0.777 1135 G HN 0.078 nan 8.290 nan 0.000 0.539 1136 L N -0.259 120.931 121.223 -0.054 0.000 2.156 1136 L HA 0.075 4.415 4.340 0.000 0.000 0.208 1136 L C 1.361 178.207 176.870 -0.039 0.000 1.095 1136 L CA 0.498 55.319 54.840 -0.032 0.000 0.770 1136 L CB -0.484 41.570 42.059 -0.008 0.000 0.914 1136 L HN 0.396 nan 8.230 nan 0.000 0.439 1137 N N 0.276 118.946 118.700 -0.051 0.000 2.714 1137 N HA -0.241 4.499 4.740 0.000 0.000 0.253 1137 N C 0.863 176.360 175.510 -0.022 0.000 1.024 1137 N CA 0.175 53.197 53.050 -0.047 0.000 0.726 1137 N CB -0.661 37.785 38.487 -0.067 0.000 0.908 1137 N HN 0.631 nan 8.380 nan 0.000 0.542 1138 G N -1.531 107.265 108.800 -0.007 0.000 2.176 1138 G HA2 -0.235 3.725 3.960 0.000 0.000 0.253 1138 G HA3 -0.235 3.725 3.960 0.000 0.000 0.253 1138 G C 0.501 175.416 174.900 0.026 0.000 0.979 1138 G CA 0.521 45.629 45.100 0.013 0.000 0.641 1138 G HN 0.853 nan 8.290 nan 0.000 0.530 1139 G N 0.717 109.526 108.800 0.015 0.000 2.594 1139 G HA2 0.547 4.507 3.960 0.000 0.000 0.243 1139 G HA3 0.547 4.507 3.960 0.000 0.000 0.243 1139 G C -1.340 173.572 174.900 0.019 0.000 1.229 1139 G CA -0.146 44.964 45.100 0.016 0.000 0.843 1139 G HN 0.322 nan 8.290 nan 0.000 0.578 1140 P HA 0.189 nan 4.420 nan 0.000 0.268 1140 P C -0.565 176.670 177.300 -0.110 0.000 1.205 1140 P CA 0.062 63.127 63.100 -0.058 0.000 0.771 1140 P CB 0.921 32.470 31.700 -0.251 0.000 0.858 1141 R N 2.052 122.547 120.500 -0.007 0.000 2.698 1141 R HA 0.525 4.866 4.340 0.000 0.000 0.275 1141 R C -1.745 174.749 176.300 0.323 0.000 1.001 1141 R CA -0.540 55.597 56.100 0.061 0.000 0.896 1141 R CB 0.768 31.141 30.300 0.122 0.000 1.218 1141 R HN 0.320 nan 8.270 nan 0.000 0.462 1142 W N 2.005 123.362 121.300 0.096 0.000 2.761 1142 W HA 0.538 5.198 4.660 0.000 0.000 0.340 1142 W C -0.848 175.781 176.519 0.183 0.000 1.072 1142 W CA -1.668 55.766 57.345 0.149 0.000 1.215 1142 W CB 1.277 30.818 29.460 0.136 0.000 1.420 1142 W HN 0.541 nan 8.180 nan 0.000 0.519 1143 F N 3.624 123.721 119.950 0.245 0.000 2.444 1143 F HA 0.326 4.853 4.527 0.000 0.000 0.342 1143 F C 0.165 175.994 175.800 0.048 0.000 1.121 1143 F CA -0.658 57.416 58.000 0.123 0.000 0.997 1143 F CB 1.246 40.305 39.000 0.098 0.000 1.130 1143 F HN 0.134 nan 8.300 nan 0.000 0.454 1144 Q N 7.760 127.011 119.800 -0.914 0.000 2.340 1144 Q HA 0.355 4.695 4.340 0.000 0.000 0.259 1144 Q C -1.320 173.921 176.000 -1.265 0.000 0.964 1144 Q CA -0.684 54.607 55.803 -0.853 0.000 0.900 1144 Q CB 1.145 29.495 28.738 -0.647 0.000 1.228 1144 Q HN 0.785 nan 8.270 nan 0.000 0.449 1145 I N 2.539 122.630 120.570 -0.798 0.000 2.385 1145 I HA 0.289 4.459 4.170 0.000 0.000 0.294 1145 I C -0.740 175.133 176.117 -0.407 0.000 0.988 1145 I CA -0.764 60.272 61.300 -0.440 0.000 1.265 1145 I CB 0.564 38.559 38.000 -0.008 0.000 1.388 1145 I HN 0.347 nan 8.210 nan 0.000 0.480 1146 Y N 5.409 125.655 120.300 -0.089 0.000 2.353 1146 Y HA 0.511 5.061 4.550 0.000 0.000 0.340 1146 Y C 0.282 176.266 175.900 0.139 0.000 0.972 1146 Y CA -0.700 57.395 58.100 -0.010 0.000 1.157 1146 Y CB 1.186 39.598 38.460 -0.080 0.000 1.157 1146 Y HN 0.482 nan 8.280 nan 0.000 0.495 1147 M N 3.111 122.821 119.600 0.183 0.000 2.245 1147 M HA 0.317 4.797 4.480 0.000 0.000 0.344 1147 M C 0.582 176.790 176.300 -0.152 0.000 1.170 1147 M CA -0.239 55.095 55.300 0.057 0.000 1.135 1147 M CB 0.569 33.170 32.600 0.003 0.000 1.574 1147 M HN 0.765 nan 8.290 nan 0.000 0.452 1148 A N 3.042 125.671 122.820 -0.318 0.000 2.406 1148 A HA 0.143 4.463 4.320 0.000 0.000 0.243 1148 A C 0.906 178.283 177.584 -0.345 0.000 1.082 1148 A CA -0.190 51.421 52.037 -0.710 0.000 0.786 1148 A CB 0.344 19.136 19.000 -0.346 0.000 1.029 1148 A HN 0.971 nan 8.150 nan 0.000 0.495 1149 K N -0.002 120.207 120.400 -0.318 0.000 2.097 1149 K HA -0.118 4.202 4.320 0.000 0.000 0.205 1149 K C -0.032 176.506 176.600 -0.105 0.000 1.050 1149 K CA 1.432 57.628 56.287 -0.153 0.000 0.938 1149 K CB -0.087 32.349 32.500 -0.107 0.000 0.718 1149 K HN 0.846 nan 8.250 nan 0.000 0.442 1150 D N 0.875 121.213 120.400 -0.103 0.000 2.295 1150 D HA -0.009 4.631 4.640 0.000 0.000 0.248 1150 D C 0.370 176.637 176.300 -0.056 0.000 1.154 1150 D CA -0.179 53.788 54.000 -0.056 0.000 0.857 1150 D CB 1.002 41.787 40.800 -0.026 0.000 1.117 1150 D HN -0.052 nan 8.370 nan 0.000 0.468 1151 D N 2.588 122.957 120.400 -0.052 0.000 2.133 1151 D HA -0.207 4.433 4.640 0.000 0.000 0.195 1151 D C 1.503 177.756 176.300 -0.078 0.000 0.997 1151 D CA 1.044 55.006 54.000 -0.064 0.000 0.840 1151 D CB 0.054 40.821 40.800 -0.055 0.000 0.947 1151 D HN 0.493 nan 8.370 nan 0.000 0.452 1152 Q N 0.822 120.589 119.800 -0.055 0.000 2.084 1152 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 1152 Q C 2.043 178.019 176.000 -0.040 0.000 0.978 1152 Q CA 1.469 57.240 55.803 -0.053 0.000 0.844 1152 Q CB -0.212 28.511 28.738 -0.026 0.000 0.898 1152 Q HN 0.349 nan 8.270 nan 0.000 0.426 1153 Q N -0.407 119.388 119.800 -0.007 0.000 2.135 1153 Q HA -0.168 4.172 4.340 0.000 0.000 0.204 1153 Q C 1.842 177.867 176.000 0.040 0.000 0.981 1153 Q CA 1.628 57.455 55.803 0.040 0.000 0.856 1153 Q CB -0.179 28.621 28.738 0.102 0.000 0.902 1153 Q HN 0.552 nan 8.270 nan 0.000 0.425 1154 N N 0.131 118.831 118.700 -0.000 0.000 2.084 1154 N HA -0.140 4.600 4.740 0.000 0.000 0.190 1154 N C 1.685 177.148 175.510 -0.078 0.000 1.030 1154 N CA 0.850 53.898 53.050 -0.005 0.000 0.849 1154 N CB -0.030 38.436 38.487 -0.035 0.000 1.012 1154 N HN 0.121 nan 8.380 nan 0.000 0.423 1155 R N 0.729 121.101 120.500 -0.212 0.000 2.103 1155 R HA -0.136 4.204 4.340 0.000 0.000 0.242 1155 R C 1.201 177.443 176.300 -0.096 0.000 1.142 1155 R CA 1.467 57.320 56.100 -0.412 0.000 0.960 1155 R CB -0.277 29.719 30.300 -0.507 0.000 0.858 1155 R HN 0.348 nan 8.270 nan 0.000 0.439 1156 D N 0.487 120.858 120.400 -0.048 0.000 2.117 1156 D HA -0.116 4.524 4.640 0.000 0.000 0.198 1156 D C 1.959 178.237 176.300 -0.037 0.000 0.982 1156 D CA 1.057 55.045 54.000 -0.020 0.000 0.828 1156 D CB -0.207 40.583 40.800 -0.017 0.000 0.967 1156 D HN 0.214 nan 8.370 nan 0.000 0.464 1157 I N 0.628 121.191 120.570 -0.011 0.000 2.179 1157 I HA -0.250 3.920 4.170 0.000 0.000 0.242 1157 I C 2.414 178.462 176.117 -0.115 0.000 1.088 1157 I CA 0.758 62.033 61.300 -0.041 0.000 1.357 1157 I CB -0.153 37.919 38.000 0.119 0.000 1.051 1157 I HN -0.034 nan 8.210 nan 0.000 0.409 1158 L N 0.085 121.311 121.223 0.006 0.000 2.017 1158 L HA -0.244 4.096 4.340 0.000 0.000 0.208 1158 L C 2.200 179.087 176.870 0.028 0.000 1.073 1158 L CA 1.287 56.162 54.840 0.059 0.000 0.745 1158 L CB -0.744 41.421 42.059 0.176 0.000 0.894 1158 L HN 0.249 nan 8.230 nan 0.000 0.432 1159 D N 0.091 120.527 120.400 0.061 0.000 2.117 1159 D HA -0.184 4.456 4.640 0.000 0.000 0.197 1159 D C 2.135 178.395 176.300 -0.067 0.000 0.987 1159 D CA 1.258 55.276 54.000 0.029 0.000 0.829 1159 D CB -0.093 40.741 40.800 0.057 0.000 0.961 1159 D HN 0.409 nan 8.370 nan 0.000 0.460 1160 E N 0.743 120.857 120.200 -0.142 0.000 2.077 1160 E HA -0.113 4.237 4.350 0.000 0.000 0.193 1160 E C 2.135 178.588 176.600 -0.245 0.000 0.989 1160 E CA 1.048 57.303 56.400 -0.242 0.000 0.800 1160 E CB -0.081 29.410 29.700 -0.347 0.000 0.746 1160 E HN 0.197 nan 8.360 nan 0.000 0.452 1161 A N 1.768 124.392 122.820 -0.327 0.000 1.883 1161 A HA -0.264 4.056 4.320 0.000 0.000 0.217 1161 A C 2.102 179.637 177.584 -0.080 0.000 1.186 1161 A CA 1.815 53.649 52.037 -0.339 0.000 0.624 1161 A CB -0.421 18.215 19.000 -0.607 0.000 0.822 1161 A HN 0.082 nan 8.150 nan 0.000 0.444 1162 K N -0.562 119.816 120.400 -0.036 0.000 2.057 1162 K HA -0.111 4.209 4.320 0.000 0.000 0.206 1162 K C 2.351 178.964 176.600 0.021 0.000 1.050 1162 K CA 1.410 57.710 56.287 0.021 0.000 0.935 1162 K CB -0.219 32.293 32.500 0.020 0.000 0.715 1162 K HN 0.422 nan 8.250 nan 0.000 0.439 1163 S N 0.986 116.682 115.700 -0.007 0.000 2.382 1163 S HA -0.207 4.263 4.470 0.000 0.000 0.228 1163 S C 1.596 176.227 174.600 0.051 0.000 1.027 1163 S CA 2.016 60.221 58.200 0.008 0.000 0.991 1163 S CB -0.408 62.778 63.200 -0.024 0.000 0.823 1163 S HN 0.497 nan 8.310 nan 0.000 0.469 1164 D N -0.474 119.963 120.400 0.062 0.000 2.264 1164 D HA 0.069 4.709 4.640 0.000 0.000 0.208 1164 D C 1.187 177.556 176.300 0.116 0.000 0.966 1164 D CA 1.362 55.448 54.000 0.143 0.000 0.864 1164 D CB -0.295 40.622 40.800 0.195 0.000 0.933 1164 D HN 0.569 nan 8.370 nan 0.000 0.499 1165 G N -1.245 107.615 108.800 0.101 0.000 2.164 1165 G HA2 -0.045 3.915 3.960 0.000 0.000 0.154 1165 G HA3 -0.045 3.915 3.960 0.000 0.000 0.154 1165 G C 0.323 175.319 174.900 0.161 0.000 1.014 1165 G CA -0.003 45.167 45.100 0.117 0.000 0.683 1165 G HN 0.594 nan 8.290 nan 0.000 0.500 1166 A N 0.780 123.702 122.820 0.169 0.000 2.546 1166 A HA 0.556 4.876 4.320 0.000 0.000 0.243 1166 A C 1.494 179.232 177.584 0.255 0.000 1.063 1166 A CA 1.676 53.860 52.037 0.246 0.000 0.757 1166 A CB 0.164 19.308 19.000 0.239 0.000 0.991 1166 A HN 1.452 nan 8.150 nan 0.000 0.503 1167 T N -0.834 113.947 114.554 0.378 0.000 3.054 1167 T HA 0.583 4.933 4.350 0.000 0.000 0.255 1167 T C 0.293 175.113 174.700 0.201 0.000 1.035 1167 T CA 0.486 62.798 62.100 0.354 0.000 0.941 1167 T CB -0.098 69.100 68.868 0.551 0.000 1.026 1167 T HN 1.718 nan 8.240 nan 0.000 0.533 1168 A N 0.950 123.800 122.820 0.051 0.000 2.612 1168 A HA 0.708 5.028 4.320 0.000 0.000 0.293 1168 A C -1.743 175.830 177.584 -0.019 0.000 1.075 1168 A CA -0.887 51.012 52.037 -0.230 0.000 0.680 1168 A CB 1.146 19.555 19.000 -0.984 0.000 1.279 1168 A HN 0.208 nan 8.150 nan 0.000 0.411 1169 I N 1.089 121.663 120.570 0.007 0.000 2.474 1169 I HA 0.465 4.635 4.170 0.000 0.000 0.294 1169 I C -0.716 175.437 176.117 0.061 0.000 1.005 1169 I CA -0.571 60.782 61.300 0.089 0.000 1.113 1169 I CB 1.442 39.505 38.000 0.105 0.000 1.289 1169 I HN 0.532 nan 8.210 nan 0.000 0.436 1170 I N 6.278 126.838 120.570 -0.017 0.000 2.354 1170 I HA 0.221 4.391 4.170 0.000 0.000 0.286 1170 I C -0.387 175.602 176.117 -0.213 0.000 1.007 1170 I CA -0.731 60.514 61.300 -0.092 0.000 1.167 1170 I CB 1.656 39.483 38.000 -0.290 0.000 1.320 1170 I HN 0.275 nan 8.210 nan 0.000 0.458 1171 L N 7.138 128.283 121.223 -0.129 0.000 2.283 1171 L HA 0.370 4.710 4.340 0.000 0.000 0.287 1171 L C 0.061 176.795 176.870 -0.225 0.000 1.073 1171 L CA 0.593 55.335 54.840 -0.163 0.000 0.822 1171 L CB 0.712 42.727 42.059 -0.072 0.000 1.186 1171 L HN 0.482 nan 8.230 nan 0.000 0.436 1172 T N 5.587 119.927 114.554 -0.357 0.000 2.723 1172 T HA 0.481 4.831 4.350 0.000 0.000 0.297 1172 T C 0.861 175.479 174.700 -0.137 0.000 0.925 1172 T CA 0.262 62.163 62.100 -0.332 0.000 1.030 1172 T CB 1.145 69.680 68.868 -0.554 0.000 0.905 1172 T HN 0.756 nan 8.240 nan 0.000 0.502 1173 A N 2.653 125.431 122.820 -0.071 0.000 2.431 1173 A HA 0.201 4.521 4.320 0.000 0.000 0.239 1173 A C 1.457 179.026 177.584 -0.026 0.000 1.230 1173 A CA -0.343 51.676 52.037 -0.030 0.000 0.928 1173 A CB 0.152 19.135 19.000 -0.028 0.000 1.006 1173 A HN 0.732 nan 8.150 nan 0.000 0.520 1174 D N -0.842 119.549 120.400 -0.014 0.000 2.325 1174 D HA 0.125 4.765 4.640 0.000 0.000 0.225 1174 D C 0.299 176.514 176.300 -0.141 0.000 1.096 1174 D CA 0.458 54.438 54.000 -0.034 0.000 0.844 1174 D CB -0.083 40.731 40.800 0.023 0.000 0.925 1174 D HN 0.039 nan 8.370 nan 0.000 0.513 1175 S N -0.388 115.191 115.700 -0.202 0.000 2.751 1175 S HA 0.066 4.536 4.470 0.000 0.000 0.247 1175 S C 1.417 175.687 174.600 -0.550 0.000 1.103 1175 S CA -0.117 57.745 58.200 -0.564 0.000 1.090 1175 S CB 0.478 63.168 63.200 -0.850 0.000 0.928 1175 S HN 0.448 nan 8.310 nan 0.000 0.502 1176 T N -0.247 114.154 114.554 -0.255 0.000 2.881 1176 T HA -0.019 4.331 4.350 0.000 0.000 0.270 1176 T C 0.870 175.492 174.700 -0.131 0.000 1.068 1176 T CA 1.180 63.192 62.100 -0.146 0.000 1.131 1176 T CB -0.470 68.355 68.868 -0.071 0.000 0.871 1176 T HN 0.371 nan 8.240 nan 0.000 0.479 1177 V N -2.627 117.186 119.914 -0.168 0.000 3.160 1177 V HA 0.772 4.892 4.120 0.000 0.000 0.310 1177 V C -0.011 176.007 176.094 -0.127 0.000 1.181 1177 V CA -1.366 60.890 62.300 -0.074 0.000 1.047 1177 V CB 1.540 33.356 31.823 -0.011 0.000 1.068 1177 V HN 0.156 nan 8.190 nan 0.000 0.441 1178 S N 0.736 116.503 115.700 0.112 0.000 2.576 1178 S HA 0.542 5.012 4.470 0.000 0.000 0.276 1178 S C 0.681 175.318 174.600 0.062 0.000 1.339 1178 S CA 0.338 58.664 58.200 0.210 0.000 1.039 1178 S CB 0.406 63.786 63.200 0.299 0.000 0.902 1178 S HN 1.793 nan 8.310 nan 0.000 0.516 1179 G N 2.545 111.372 108.800 0.044 0.000 2.667 1179 G HA2 0.121 4.082 3.960 0.000 0.000 0.250 1179 G HA3 0.121 4.082 3.960 0.000 0.000 0.250 1179 G C 0.045 174.974 174.900 0.047 0.000 1.212 1179 G CA -0.710 44.410 45.100 0.034 0.000 0.874 1179 G HN 0.891 nan 8.290 nan 0.000 0.561 1180 N N 0.542 119.261 118.700 0.032 0.000 2.739 1180 N HA 0.036 4.776 4.740 0.000 0.000 0.266 1180 N C -0.252 175.250 175.510 -0.013 0.000 1.168 1180 N CA -0.144 52.909 53.050 0.005 0.000 1.055 1180 N CB 0.524 38.997 38.487 -0.024 0.000 1.393 1180 N HN 0.377 nan 8.380 nan 0.000 0.514 1181 R N 1.299 121.803 120.500 0.007 0.000 2.593 1181 R HA 0.098 4.438 4.340 0.000 0.000 0.282 1181 R C -0.147 176.147 176.300 -0.008 0.000 1.300 1181 R CA -0.501 55.594 56.100 -0.007 0.000 1.221 1181 R CB 0.424 30.720 30.300 -0.007 0.000 1.157 1181 R HN 0.313 nan 8.270 nan 0.000 0.555 1182 D N 1.959 122.344 120.400 -0.025 0.000 2.123 1182 D HA -0.171 4.469 4.640 0.000 0.000 0.196 1182 D C 1.663 177.967 176.300 0.007 0.000 0.992 1182 D CA 1.450 55.441 54.000 -0.016 0.000 0.833 1182 D CB 0.235 41.015 40.800 -0.034 0.000 0.954 1182 D HN 0.348 nan 8.370 nan 0.000 0.455 1183 R N 0.476 120.976 120.500 -0.000 0.000 2.094 1183 R HA -0.143 4.197 4.340 0.000 0.000 0.239 1183 R C 1.649 177.971 176.300 0.036 0.000 1.137 1183 R CA 1.453 57.560 56.100 0.012 0.000 0.943 1183 R CB -0.390 29.894 30.300 -0.027 0.000 0.850 1183 R HN 0.253 nan 8.270 nan 0.000 0.433 1184 D N 0.162 120.577 120.400 0.026 0.000 2.144 1184 D HA -0.094 4.546 4.640 0.000 0.000 0.199 1184 D C 2.040 178.404 176.300 0.106 0.000 0.984 1184 D CA 0.854 54.907 54.000 0.087 0.000 0.834 1184 D CB -0.203 40.650 40.800 0.088 0.000 0.955 1184 D HN 0.004 nan 8.370 nan 0.000 0.465 1185 V N 1.039 120.992 119.914 0.066 0.000 2.295 1185 V HA -0.237 3.883 4.120 0.000 0.000 0.246 1185 V C 2.251 178.379 176.094 0.057 0.000 1.049 1185 V CA 1.634 63.967 62.300 0.054 0.000 1.024 1185 V CB -0.349 31.494 31.823 0.033 0.000 0.648 1185 V HN 0.184 nan 8.190 nan 0.000 0.447 1186 K N 0.206 120.642 120.400 0.060 0.000 2.155 1186 K HA -0.073 4.247 4.320 0.000 0.000 0.203 1186 K C 1.677 178.332 176.600 0.092 0.000 1.052 1186 K CA 1.523 57.849 56.287 0.065 0.000 0.948 1186 K CB -0.259 32.279 32.500 0.064 0.000 0.728 1186 K HN 0.588 nan 8.250 nan 0.000 0.448 1187 N N 0.876 119.651 118.700 0.125 0.000 2.467 1187 N HA -0.008 4.732 4.740 0.000 0.000 0.184 1187 N C -0.668 174.922 175.510 0.132 0.000 1.106 1187 N CA 0.005 53.155 53.050 0.167 0.000 0.892 1187 N CB 0.159 38.787 38.487 0.234 0.000 0.969 1187 N HN -0.022 nan 8.380 nan 0.000 0.454 1188 K N 0.785 121.244 120.400 0.098 0.000 3.278 1188 K HA -0.222 4.098 4.320 0.000 0.000 0.270 1188 K C -0.720 175.903 176.600 0.039 0.000 0.955 1188 K CA 0.074 56.393 56.287 0.054 0.000 0.723 1188 K CB -1.746 30.764 32.500 0.017 0.000 1.382 1188 K HN 0.252 nan 8.250 nan 0.000 0.461 1189 F N 0.712 120.631 119.950 -0.051 0.000 2.578 1189 F HA 0.218 4.745 4.527 0.000 0.000 0.376 1189 F C 0.311 175.978 175.800 -0.223 0.000 1.085 1189 F CA 0.038 57.962 58.000 -0.125 0.000 1.260 1189 F CB 0.630 39.554 39.000 -0.127 0.000 1.095 1189 F HN -0.082 nan 8.300 nan 0.000 0.573 1190 V N 6.839 125.959 119.914 -1.323 0.000 2.925 1190 V HA 0.274 4.394 4.120 0.000 0.000 0.311 1190 V C -1.094 174.126 176.094 -1.456 0.000 1.104 1190 V CA -0.983 60.700 62.300 -1.029 0.000 0.954 1190 V CB 2.003 33.538 31.823 -0.480 0.000 1.022 1190 V HN 0.563 nan 8.190 nan 0.000 0.427 1191 Y N 5.442 125.192 120.300 -0.916 0.000 2.411 1191 Y HA 0.247 4.797 4.550 0.000 0.000 0.333 1191 Y C -1.286 174.151 175.900 -0.771 0.000 1.186 1191 Y CA -1.239 56.328 58.100 -0.888 0.000 1.381 1191 Y CB 0.774 38.846 38.460 -0.646 0.000 1.273 1191 Y HN 0.444 nan 8.280 nan 0.000 0.546 1192 P HA 0.062 nan 4.420 nan 0.000 0.262 1192 P C -1.016 176.119 177.300 -0.275 0.000 1.304 1192 P CA 0.502 63.305 63.100 -0.496 0.000 0.859 1192 P CB 0.001 31.411 31.700 -0.483 0.000 1.310 1193 F N -3.104 116.797 119.950 -0.082 0.000 2.779 1193 F HA 0.766 5.293 4.527 0.000 0.000 0.316 1193 F C 0.038 175.785 175.800 -0.089 0.000 1.164 1193 F CA -1.930 56.031 58.000 -0.065 0.000 0.924 1193 F CB 0.011 38.983 39.000 -0.047 0.000 1.348 1193 F HN -0.184 nan 8.300 nan 0.000 0.467 1194 G N 0.059 109.011 108.800 0.254 0.000 2.522 1194 G HA2 0.597 4.557 3.960 0.000 0.000 0.304 1194 G HA3 0.597 4.557 3.960 0.000 0.000 0.304 1194 G C -1.356 173.595 174.900 0.084 0.000 1.210 1194 G CA -1.075 44.073 45.100 0.079 0.000 0.960 1194 G HN 0.628 nan 8.290 nan 0.000 0.497 1195 M N 1.800 121.377 119.600 -0.039 0.000 1.999 1195 M HA 0.230 4.710 4.480 0.000 0.000 0.299 1195 M C -1.791 174.484 176.300 -0.042 0.000 0.900 1195 M CA -1.634 53.638 55.300 -0.047 0.000 0.904 1195 M CB 3.117 35.615 32.600 -0.170 0.000 1.477 1195 M HN 0.350 nan 8.290 nan 0.000 0.403 1196 P HA -0.059 nan 4.420 nan 0.000 0.221 1196 P C 1.089 178.394 177.300 0.008 0.000 1.150 1196 P CA 1.308 64.411 63.100 0.005 0.000 0.800 1196 P CB 0.305 32.028 31.700 0.038 0.000 0.787 1197 I N -0.014 120.585 120.570 0.048 0.000 2.353 1197 I HA -0.126 4.044 4.170 0.000 0.000 0.248 1197 I C 2.184 178.315 176.117 0.023 0.000 1.119 1197 I CA 1.240 62.580 61.300 0.068 0.000 1.417 1197 I CB -0.429 37.681 38.000 0.184 0.000 1.078 1197 I HN -0.135 nan 8.210 nan 0.000 0.421 1198 V N -2.564 117.316 119.914 -0.057 0.000 3.578 1198 V HA 0.072 4.192 4.120 0.000 0.000 0.290 1198 V C 2.026 177.821 176.094 -0.498 0.000 1.376 1198 V CA 0.058 62.144 62.300 -0.356 0.000 1.083 1198 V CB -0.076 31.524 31.823 -0.373 0.000 0.911 1198 V HN 0.371 nan 8.190 nan 0.000 0.433 1199 Q N 2.812 122.463 119.800 -0.249 0.000 2.133 1199 Q HA -0.308 4.032 4.340 0.000 0.000 0.208 1199 Q C 2.429 178.336 176.000 -0.154 0.000 0.991 1199 Q CA 3.023 58.714 55.803 -0.187 0.000 0.867 1199 Q CB -0.357 28.320 28.738 -0.101 0.000 0.911 1199 Q HN 0.861 nan 8.270 nan 0.000 0.417 1200 R N 0.287 120.721 120.500 -0.110 0.000 2.153 1200 R HA -0.217 4.123 4.340 0.000 0.000 0.252 1200 R C 1.603 177.940 176.300 0.061 0.000 1.158 1200 R CA 2.141 58.233 56.100 -0.015 0.000 0.975 1200 R CB -1.260 29.063 30.300 0.039 0.000 0.871 1200 R HN 0.665 nan 8.270 nan 0.000 0.450 1201 Y N -0.893 119.421 120.300 0.024 0.000 2.531 1201 Y HA 0.512 5.062 4.550 0.000 0.000 0.249 1201 Y C 0.276 176.183 175.900 0.012 0.000 1.168 1201 Y CA -1.055 57.060 58.100 0.024 0.000 1.226 1201 Y CB 0.291 38.778 38.460 0.045 0.000 1.177 1201 Y HN -0.193 nan 8.280 nan 0.000 0.527 1202 L N 1.755 122.961 121.223 -0.027 0.000 2.375 1202 L HA 0.392 4.733 4.340 0.000 0.000 0.271 1202 L C 1.231 178.102 176.870 0.001 0.000 1.107 1202 L CA -0.602 54.223 54.840 -0.024 0.000 0.806 1202 L CB 1.228 43.206 42.059 -0.134 0.000 1.146 1202 L HN 0.243 nan 8.230 nan 0.000 0.447 1203 R N 1.832 122.338 120.500 0.010 0.000 2.073 1203 R HA -0.044 4.296 4.340 0.000 0.000 0.234 1203 R C 1.063 177.355 176.300 -0.014 0.000 1.134 1203 R CA 1.279 57.383 56.100 0.006 0.000 0.952 1203 R CB -0.212 30.093 30.300 0.008 0.000 0.850 1203 R HN 0.863 nan 8.270 nan 0.000 0.433 1204 G N -0.562 108.220 108.800 -0.030 0.000 2.773 1204 G HA2 0.169 4.129 3.960 0.000 0.000 0.186 1204 G HA3 0.169 4.129 3.960 0.000 0.000 0.186 1204 G C -0.544 174.322 174.900 -0.056 0.000 1.411 1204 G CA -0.180 44.897 45.100 -0.039 0.000 1.054 1204 G HN 0.100 nan 8.290 nan 0.000 0.579 1205 T N 0.327 114.845 114.554 -0.061 0.000 3.542 1205 T HA 0.483 4.833 4.350 0.000 0.000 0.276 1205 T C 1.066 175.717 174.700 -0.081 0.000 1.412 1205 T CA 0.652 62.711 62.100 -0.068 0.000 1.664 1205 T CB 0.491 69.334 68.868 -0.042 0.000 0.863 1205 T HN 1.422 nan 8.240 nan 0.000 0.661 1206 A N 1.373 124.118 122.820 -0.126 0.000 4.539 1206 A HA -0.412 3.909 4.320 0.000 0.000 0.239 1206 A C 1.961 179.467 177.584 -0.130 0.000 0.598 1206 A CA 2.940 54.874 52.037 -0.171 0.000 1.074 1206 A CB -1.507 17.322 19.000 -0.285 0.000 1.100 1206 A HN 0.770 nan 8.150 nan 0.000 0.547 1207 E N -0.893 119.253 120.200 -0.089 0.000 2.065 1207 E HA -0.131 4.219 4.350 0.000 0.000 0.201 1207 E C 1.597 178.121 176.600 -0.127 0.000 1.016 1207 E CA 1.670 58.017 56.400 -0.089 0.000 0.818 1207 E CB -0.527 29.148 29.700 -0.042 0.000 0.749 1207 E HN 0.787 nan 8.360 nan 0.000 0.453 1208 G N 0.242 108.977 108.800 -0.107 0.000 3.702 1208 G HA2 0.268 4.228 3.960 0.000 0.000 0.288 1208 G HA3 0.268 4.228 3.960 0.000 0.000 0.288 1208 G C -0.013 174.807 174.900 -0.133 0.000 1.193 1208 G CA -0.482 44.538 45.100 -0.133 0.000 0.952 1208 G HN 0.064 nan 8.290 nan 0.000 0.544 1209 M N 1.324 120.857 119.600 -0.112 0.000 2.409 1209 M HA 0.341 4.821 4.480 0.000 0.000 0.329 1209 M C 0.565 176.823 176.300 -0.069 0.000 1.180 1209 M CA -0.513 54.742 55.300 -0.076 0.000 1.053 1209 M CB 1.973 34.531 32.600 -0.069 0.000 1.586 1209 M HN 0.187 nan 8.290 nan 0.000 0.461 1210 S N 1.532 117.197 115.700 -0.057 0.000 2.610 1210 S HA 0.280 4.750 4.470 0.000 0.000 0.273 1210 S C 0.921 175.551 174.600 0.050 0.000 1.274 1210 S CA -0.904 57.272 58.200 -0.040 0.000 1.023 1210 S CB 1.041 64.230 63.200 -0.019 0.000 0.962 1210 S HN 0.876 nan 8.310 nan 0.000 0.523 1211 L N 1.418 122.706 121.223 0.108 0.000 2.081 1211 L HA -0.205 4.135 4.340 0.000 0.000 0.212 1211 L C 2.583 179.437 176.870 -0.027 0.000 1.080 1211 L CA 2.270 57.153 54.840 0.072 0.000 0.754 1211 L CB -0.845 41.267 42.059 0.089 0.000 0.893 1211 L HN 0.987 nan 8.230 nan 0.000 0.433 1212 N N 0.445 119.181 118.700 0.060 0.000 2.060 1212 N HA -0.269 4.471 4.740 0.000 0.000 0.195 1212 N C 1.441 177.004 175.510 0.088 0.000 1.028 1212 N CA 2.213 55.325 53.050 0.103 0.000 0.861 1212 N CB -0.150 38.385 38.487 0.079 0.000 1.029 1212 N HN 0.318 nan 8.380 nan 0.000 0.428 1213 N N -0.247 118.477 118.700 0.040 0.000 2.376 1213 N HA 0.055 4.795 4.740 0.000 0.000 0.177 1213 N C 1.669 177.187 175.510 0.013 0.000 1.024 1213 N CA 0.538 53.606 53.050 0.029 0.000 0.893 1213 N CB 0.042 38.533 38.487 0.007 0.000 0.980 1213 N HN 0.412 nan 8.380 nan 0.000 0.439 1214 I N 0.274 120.812 120.570 -0.054 0.000 2.133 1214 I HA -0.218 3.952 4.170 0.000 0.000 0.238 1214 I C 0.397 176.536 176.117 0.036 0.000 1.074 1214 I CA 0.780 61.989 61.300 -0.152 0.000 1.342 1214 I CB -0.426 37.301 38.000 -0.455 0.000 1.053 1214 I HN -0.031 nan 8.210 nan 0.000 0.404 1215 Y N 1.369 121.705 120.300 0.059 0.000 2.578 1215 Y HA 0.211 4.761 4.550 0.000 0.000 0.339 1215 Y C 1.473 177.412 175.900 0.065 0.000 1.231 1215 Y CA 0.460 58.604 58.100 0.074 0.000 1.461 1215 Y CB -0.126 38.349 38.460 0.025 0.000 1.323 1215 Y HN 0.362 nan 8.280 nan 0.000 0.590 1216 G N 0.660 109.598 108.800 0.230 0.000 2.336 1216 G HA2 -0.328 3.632 3.960 0.000 0.000 0.233 1216 G HA3 -0.328 3.632 3.960 0.000 0.000 0.233 1216 G C 1.292 176.260 174.900 0.113 0.000 1.053 1216 G CA 0.554 45.736 45.100 0.136 0.000 0.625 1216 G HN 1.044 nan 8.290 nan 0.000 0.511 1217 A N 0.567 123.477 122.820 0.151 0.000 1.929 1217 A HA 0.557 4.877 4.320 0.000 0.000 0.216 1217 A C 1.887 179.564 177.584 0.155 0.000 1.176 1217 A CA 2.063 54.208 52.037 0.180 0.000 0.628 1217 A CB -0.379 18.766 19.000 0.243 0.000 0.816 1217 A HN 1.030 nan 8.150 nan 0.000 0.444 1218 S N -0.433 115.411 115.700 0.239 0.000 2.598 1218 S HA 0.214 4.684 4.470 0.000 0.000 0.256 1218 S C 0.368 174.969 174.600 0.001 0.000 1.350 1218 S CA -0.342 57.919 58.200 0.102 0.000 0.984 1218 S CB 0.346 63.751 63.200 0.341 0.000 0.930 1218 S HN 0.485 nan 8.310 nan 0.000 0.577 1219 K N 0.569 120.951 120.400 -0.030 0.000 2.339 1219 K HA 0.126 4.446 4.320 0.000 0.000 0.286 1219 K C 0.357 176.955 176.600 -0.004 0.000 1.050 1219 K CA -0.135 56.132 56.287 -0.034 0.000 0.956 1219 K CB 0.491 32.963 32.500 -0.047 0.000 0.990 1219 K HN 0.381 nan 8.250 nan 0.000 0.475 1220 Q N 2.203 121.997 119.800 -0.009 0.000 2.226 1220 Q HA 0.031 4.371 4.340 0.000 0.000 0.199 1220 Q C 0.298 176.288 176.000 -0.017 0.000 0.945 1220 Q CA 1.205 57.001 55.803 -0.011 0.000 0.861 1220 Q CB 0.243 28.977 28.738 -0.006 0.000 0.953 1220 Q HN 0.417 nan 8.270 nan 0.000 0.490 1221 K N 1.246 121.636 120.400 -0.018 0.000 3.192 1221 K HA 0.186 4.506 4.320 0.000 0.000 0.269 1221 K C -0.779 175.809 176.600 -0.020 0.000 1.270 1221 K CA -0.152 56.124 56.287 -0.018 0.000 1.249 1221 K CB -0.505 31.985 32.500 -0.017 0.000 1.528 1221 K HN 0.144 nan 8.250 nan 0.000 0.360 1222 I N 1.717 122.275 120.570 -0.019 0.000 2.710 1222 I HA -0.106 4.064 4.170 0.000 0.000 0.286 1222 I C 0.676 176.782 176.117 -0.019 0.000 1.181 1222 I CA 0.335 61.624 61.300 -0.018 0.000 1.430 1222 I CB 0.674 38.664 38.000 -0.016 0.000 1.367 1222 I HN 0.361 nan 8.210 nan 0.000 0.577 1223 S N 5.557 121.246 115.700 -0.017 0.000 2.661 1223 S HA 0.540 5.010 4.470 0.000 0.000 0.285 1223 S C -2.292 172.300 174.600 -0.014 0.000 1.138 1223 S CA -1.325 56.865 58.200 -0.016 0.000 0.855 1223 S CB 2.022 65.212 63.200 -0.016 0.000 1.136 1223 S HN 0.301 nan 8.310 nan 0.000 0.484 1224 P HA 0.049 nan 4.420 nan 0.000 0.220 1224 P C 1.322 178.616 177.300 -0.010 0.000 1.148 1224 P CA 0.822 63.916 63.100 -0.011 0.000 0.803 1224 P CB 0.014 31.707 31.700 -0.010 0.000 0.782 1225 R N -0.179 120.315 120.500 -0.010 0.000 2.117 1225 R HA -0.159 4.181 4.340 0.000 0.000 0.243 1225 R C 1.771 178.067 176.300 -0.007 0.000 1.143 1225 R CA 1.614 57.709 56.100 -0.008 0.000 0.968 1225 R CB -0.691 29.604 30.300 -0.009 0.000 0.863 1225 R HN 0.289 nan 8.270 nan 0.000 0.444 1226 D N 0.324 120.718 120.400 -0.010 0.000 2.144 1226 D HA -0.147 4.493 4.640 0.000 0.000 0.199 1226 D C 1.900 178.197 176.300 -0.005 0.000 0.984 1226 D CA 1.147 55.141 54.000 -0.010 0.000 0.834 1226 D CB -0.067 40.725 40.800 -0.014 0.000 0.955 1226 D HN 0.288 nan 8.370 nan 0.000 0.465 1227 I N 1.397 121.962 120.570 -0.007 0.000 2.179 1227 I HA -0.240 3.930 4.170 0.000 0.000 0.242 1227 I C 2.362 178.476 176.117 -0.005 0.000 1.088 1227 I CA 1.137 62.433 61.300 -0.008 0.000 1.357 1227 I CB -0.272 37.722 38.000 -0.010 0.000 1.051 1227 I HN -0.065 nan 8.210 nan 0.000 0.409 1228 E N 0.738 120.935 120.200 -0.004 0.000 2.058 1228 E HA -0.264 4.086 4.350 0.000 0.000 0.194 1228 E C 2.105 178.711 176.600 0.010 0.000 0.997 1228 E CA 1.492 57.892 56.400 -0.001 0.000 0.801 1228 E CB -0.130 29.570 29.700 -0.001 0.000 0.746 1228 E HN 0.537 nan 8.360 nan 0.000 0.450 1229 E N 0.326 120.534 120.200 0.013 0.000 2.152 1229 E HA -0.096 4.254 4.350 0.000 0.000 0.192 1229 E C 2.116 178.746 176.600 0.051 0.000 0.983 1229 E CA 0.493 56.909 56.400 0.027 0.000 0.818 1229 E CB 0.059 29.766 29.700 0.011 0.000 0.758 1229 E HN 0.262 nan 8.360 nan 0.000 0.467 1230 I N 1.037 121.630 120.570 0.037 0.000 2.252 1230 I HA -0.233 3.937 4.170 0.000 0.000 0.245 1230 I C 2.537 178.693 176.117 0.066 0.000 1.102 1230 I CA 0.811 62.146 61.300 0.058 0.000 1.385 1230 I CB -0.280 37.743 38.000 0.037 0.000 1.064 1230 I HN 0.082 nan 8.210 nan 0.000 0.414 1231 A N 1.054 123.892 122.820 0.030 0.000 1.883 1231 A HA -0.153 4.167 4.320 0.000 0.000 0.217 1231 A C 2.433 180.029 177.584 0.019 0.000 1.186 1231 A CA 2.043 54.085 52.037 0.010 0.000 0.624 1231 A CB -1.491 17.501 19.000 -0.013 0.000 0.822 1231 A HN 0.457 nan 8.150 nan 0.000 0.444 1232 G N -1.351 107.467 108.800 0.031 0.000 2.421 1232 G HA2 -0.299 3.661 3.960 0.000 0.000 0.216 1232 G HA3 -0.299 3.661 3.960 0.000 0.000 0.216 1232 G C 1.539 176.465 174.900 0.043 0.000 1.171 1232 G CA 1.529 46.647 45.100 0.030 0.000 0.775 1232 G HN 0.771 nan 8.290 nan 0.000 0.543 1233 H N 1.002 120.071 119.070 -0.002 0.000 2.326 1233 H HA 0.062 4.618 4.556 0.000 0.000 0.301 1233 H C 1.438 176.768 175.328 0.003 0.000 1.081 1233 H CA 1.487 57.536 56.048 0.002 0.000 1.334 1233 H CB -0.119 29.646 29.762 0.005 0.000 1.385 1233 H HN 0.348 nan 8.280 nan 0.000 0.504 1234 S N 0.013 115.744 115.700 0.053 0.000 2.512 1234 S HA 0.314 4.784 4.470 0.000 0.000 0.291 1234 S C 0.862 175.457 174.600 -0.007 0.000 1.151 1234 S CA -0.380 57.826 58.200 0.010 0.000 1.120 1234 S CB 0.661 63.931 63.200 0.117 0.000 1.029 1234 S HN 0.530 nan 8.310 nan 0.000 0.485 1235 G N 3.853 112.624 108.800 -0.048 0.000 3.266 1235 G HA2 0.291 4.251 3.960 0.000 0.000 0.238 1235 G HA3 0.291 4.251 3.960 0.000 0.000 0.238 1235 G C -0.012 174.876 174.900 -0.021 0.000 1.076 1235 G CA -0.178 44.901 45.100 -0.034 0.000 1.804 1235 G HN 0.696 nan 8.290 nan 0.000 0.600 1236 L N 0.284 121.500 121.223 -0.011 0.000 2.334 1236 L HA 0.450 4.790 4.340 0.000 0.000 0.270 1236 L C -1.858 174.979 176.870 -0.054 0.000 1.018 1236 L CA -2.573 52.259 54.840 -0.014 0.000 0.811 1236 L CB 2.038 44.107 42.059 0.016 0.000 1.271 1236 L HN -0.041 nan 8.230 nan 0.000 0.443 1237 P HA 0.056 nan 4.420 nan 0.000 0.267 1237 P C -0.895 176.278 177.300 -0.212 0.000 1.205 1237 P CA -0.045 62.944 63.100 -0.184 0.000 0.765 1237 P CB 0.773 32.325 31.700 -0.247 0.000 0.828 1238 V N 4.816 124.604 119.914 -0.210 0.000 2.398 1238 V HA 0.304 4.424 4.120 0.000 0.000 0.286 1238 V C 0.195 176.146 176.094 -0.240 0.000 1.026 1238 V CA -0.415 61.797 62.300 -0.147 0.000 0.868 1238 V CB 0.421 32.205 31.823 -0.066 0.000 0.982 1238 V HN 0.333 nan 8.190 nan 0.000 0.443 1239 F N 3.224 123.129 119.950 -0.073 0.000 2.394 1239 F HA 0.485 5.012 4.527 0.000 0.000 0.340 1239 F C 0.334 176.131 175.800 -0.006 0.000 1.105 1239 F CA -0.414 57.594 58.000 0.014 0.000 1.124 1239 F CB 1.627 40.715 39.000 0.147 0.000 1.145 1239 F HN 0.163 nan 8.300 nan 0.000 0.505 1240 V N 4.104 124.137 119.914 0.198 0.000 2.350 1240 V HA 0.278 4.398 4.120 0.000 0.000 0.276 1240 V C -0.161 176.014 176.094 0.135 0.000 1.028 1240 V CA -0.904 61.457 62.300 0.101 0.000 0.860 1240 V CB 1.290 33.149 31.823 0.059 0.000 0.990 1240 V HN 0.626 nan 8.190 nan 0.000 0.453 1241 K N 3.420 123.812 120.400 -0.013 0.000 2.182 1241 K HA 0.666 4.986 4.320 0.000 0.000 0.262 1241 K C 0.717 177.266 176.600 -0.084 0.000 0.957 1241 K CA 0.362 56.570 56.287 -0.132 0.000 0.842 1241 K CB 1.402 33.545 32.500 -0.595 0.000 1.099 1241 K HN 0.873 nan 8.250 nan 0.000 0.438 1242 G N 3.601 112.396 108.800 -0.008 0.000 2.154 1242 G HA2 -0.136 3.824 3.960 0.000 0.000 0.186 1242 G HA3 -0.136 3.824 3.960 0.000 0.000 0.186 1242 G C -0.194 174.749 174.900 0.071 0.000 1.000 1242 G CA -0.388 44.731 45.100 0.032 0.000 0.664 1242 G HN 0.456 nan 8.290 nan 0.000 0.513 1243 I N 1.128 121.762 120.570 0.108 0.000 2.556 1243 I HA 0.253 4.423 4.170 0.000 0.000 0.284 1243 I C 1.094 177.284 176.117 0.121 0.000 1.114 1243 I CA 0.520 61.889 61.300 0.116 0.000 1.418 1243 I CB 1.300 39.384 38.000 0.139 0.000 1.394 1243 I HN 0.198 nan 8.210 nan 0.000 0.552 1244 Q N 3.847 123.719 119.800 0.120 0.000 2.179 1244 Q HA 0.117 4.457 4.340 0.000 0.000 0.244 1244 Q C 0.089 176.159 176.000 0.117 0.000 0.808 1244 Q CA 0.138 56.008 55.803 0.111 0.000 0.955 1244 Q CB 1.148 29.942 28.738 0.092 0.000 1.141 1244 Q HN 0.580 nan 8.270 nan 0.000 0.485 1245 H N 1.558 120.651 119.070 0.039 0.000 2.466 1245 H HA 0.237 4.793 4.556 0.000 0.000 0.338 1245 H C -2.049 173.297 175.328 0.030 0.000 1.091 1245 H CA -1.801 54.264 56.048 0.027 0.000 1.207 1245 H CB 2.310 32.084 29.762 0.019 0.000 1.466 1245 H HN -0.239 nan 8.280 nan 0.000 0.493 1246 P HA -0.150 nan 4.420 nan 0.000 0.218 1246 P C 1.226 178.644 177.300 0.196 0.000 1.148 1246 P CA 1.063 64.221 63.100 0.096 0.000 0.822 1246 P CB 0.482 32.179 31.700 -0.004 0.000 0.784 1247 E N 0.283 120.724 120.200 0.402 0.000 2.160 1247 E HA -0.208 4.142 4.350 0.000 0.000 0.195 1247 E C 1.359 178.020 176.600 0.101 0.000 0.991 1247 E CA 1.556 58.080 56.400 0.207 0.000 0.810 1247 E CB -0.982 28.796 29.700 0.131 0.000 0.742 1247 E HN 0.135 nan 8.360 nan 0.000 0.466 1248 D N -0.423 120.047 120.400 0.116 0.000 2.183 1248 D HA -0.008 4.632 4.640 0.000 0.000 0.203 1248 D C 1.706 178.046 176.300 0.068 0.000 0.969 1248 D CA 1.295 55.329 54.000 0.057 0.000 0.842 1248 D CB -0.370 40.464 40.800 0.055 0.000 0.957 1248 D HN 0.325 nan 8.370 nan 0.000 0.484 1249 A N 0.765 123.640 122.820 0.091 0.000 1.877 1249 A HA -0.217 4.103 4.320 0.000 0.000 0.216 1249 A C 1.990 179.607 177.584 0.055 0.000 1.186 1249 A CA 2.027 54.111 52.037 0.079 0.000 0.620 1249 A CB -0.664 18.389 19.000 0.087 0.000 0.822 1249 A HN 0.187 nan 8.150 nan 0.000 0.443 1250 D N -1.178 119.254 120.400 0.053 0.000 2.097 1250 D HA -0.186 4.454 4.640 0.000 0.000 0.197 1250 D C 1.955 178.269 176.300 0.023 0.000 0.984 1250 D CA 1.610 55.632 54.000 0.036 0.000 0.826 1250 D CB -0.186 40.637 40.800 0.038 0.000 0.973 1250 D HN 0.271 nan 8.370 nan 0.000 0.460 1251 M N 0.684 120.298 119.600 0.023 0.000 2.082 1251 M HA -0.186 4.295 4.480 0.000 0.000 0.258 1251 M C 2.042 178.347 176.300 0.008 0.000 1.069 1251 M CA 2.096 57.403 55.300 0.010 0.000 1.102 1251 M CB -0.851 31.751 32.600 0.003 0.000 1.336 1251 M HN 0.140 nan 8.290 nan 0.000 0.404 1252 A N 0.374 123.203 122.820 0.015 0.000 1.898 1252 A HA -0.104 4.216 4.320 0.000 0.000 0.216 1252 A C 2.155 179.738 177.584 -0.001 0.000 1.181 1252 A CA 1.509 53.552 52.037 0.010 0.000 0.620 1252 A CB -0.831 18.183 19.000 0.024 0.000 0.819 1252 A HN 0.609 nan 8.150 nan 0.000 0.442 1253 I N -0.517 120.055 120.570 0.003 0.000 2.179 1253 I HA -0.271 3.899 4.170 0.000 0.000 0.242 1253 I C 2.375 178.486 176.117 -0.011 0.000 1.088 1253 I CA 1.637 62.932 61.300 -0.009 0.000 1.357 1253 I CB -0.241 37.758 38.000 -0.001 0.000 1.051 1253 I HN 0.255 nan 8.210 nan 0.000 0.409 1254 K N 0.148 120.545 120.400 -0.004 0.000 2.283 1254 K HA -0.078 4.242 4.320 0.000 0.000 0.202 1254 K C 1.796 178.391 176.600 -0.008 0.000 1.048 1254 K CA 0.682 56.965 56.287 -0.005 0.000 0.948 1254 K CB 0.044 32.543 32.500 -0.001 0.000 0.742 1254 K HN 0.092 nan 8.250 nan 0.000 0.458 1255 R N -0.339 120.155 120.500 -0.009 0.000 2.313 1255 R HA 0.052 4.392 4.340 0.000 0.000 0.199 1255 R C 0.893 177.183 176.300 -0.016 0.000 0.958 1255 R CA 0.649 56.743 56.100 -0.011 0.000 1.047 1255 R CB 0.274 30.569 30.300 -0.009 0.000 0.955 1255 R HN 0.460 nan 8.270 nan 0.000 0.481 1256 G N -0.524 108.262 108.800 -0.022 0.000 2.163 1256 G HA2 -0.240 3.721 3.960 0.000 0.000 0.213 1256 G HA3 -0.240 3.721 3.960 0.000 0.000 0.213 1256 G C 0.271 175.140 174.900 -0.051 0.000 0.991 1256 G CA -0.026 45.055 45.100 -0.032 0.000 0.653 1256 G HN 0.523 nan 8.290 nan 0.000 0.518 1257 A N 0.183 122.972 122.820 -0.053 0.000 2.483 1257 A HA 0.659 4.979 4.320 0.000 0.000 0.238 1257 A C 1.304 178.809 177.584 -0.132 0.000 1.070 1257 A CA 1.243 53.228 52.037 -0.087 0.000 0.770 1257 A CB 0.461 19.427 19.000 -0.058 0.000 1.008 1257 A HN 0.974 nan 8.150 nan 0.000 0.497 1258 S N 0.297 115.859 115.700 -0.231 0.000 2.554 1258 S HA 0.461 4.931 4.470 0.000 0.000 0.226 1258 S C 0.518 174.859 174.600 -0.433 0.000 0.980 1258 S CA 0.373 58.408 58.200 -0.275 0.000 0.939 1258 S CB 0.217 63.252 63.200 -0.275 0.000 0.832 1258 S HN 1.419 nan 8.310 nan 0.000 0.486 1259 G N 1.015 109.519 108.800 -0.494 0.000 2.667 1259 G HA2 0.542 4.502 3.960 0.000 0.000 0.294 1259 G HA3 0.542 4.502 3.960 0.000 0.000 0.294 1259 G C -1.731 173.151 174.900 -0.031 0.000 1.467 1259 G CA -0.559 44.228 45.100 -0.522 0.000 0.852 1259 G HN 0.074 nan 8.290 nan 0.000 0.521 1260 I N 1.186 121.892 120.570 0.228 0.000 2.378 1260 I HA 0.416 4.586 4.170 0.000 0.000 0.291 1260 I C -1.047 175.349 176.117 0.466 0.000 0.992 1260 I CA -1.015 60.467 61.300 0.303 0.000 1.154 1260 I CB 1.797 39.908 38.000 0.185 0.000 1.315 1260 I HN 0.585 nan 8.210 nan 0.000 0.448 1261 W N 8.107 129.544 121.300 0.228 0.000 2.338 1261 W HA 0.430 5.090 4.660 0.000 0.000 0.315 1261 W C -1.220 175.336 176.519 0.062 0.000 1.005 1261 W CA -0.842 56.581 57.345 0.130 0.000 1.380 1261 W CB 1.351 30.837 29.460 0.043 0.000 1.235 1261 W HN 0.086 nan 8.180 nan 0.000 0.409 1262 V N 5.889 125.992 119.914 0.315 0.000 2.479 1262 V HA 0.322 4.442 4.120 0.000 0.000 0.281 1262 V C 0.362 176.521 176.094 0.108 0.000 1.031 1262 V CA 0.559 62.995 62.300 0.227 0.000 1.038 1262 V CB 0.691 32.691 31.823 0.295 0.000 0.981 1262 V HN 0.498 nan 8.190 nan 0.000 0.478 1263 S N 3.529 119.276 115.700 0.080 0.000 2.556 1263 S HA 0.370 4.840 4.470 0.000 0.000 0.280 1263 S C -0.351 174.261 174.600 0.019 0.000 1.141 1263 S CA -0.615 57.581 58.200 -0.006 0.000 0.883 1263 S CB 1.410 64.649 63.200 0.065 0.000 1.103 1263 S HN 0.896 nan 8.310 nan 0.000 0.453 1264 N N 2.116 120.820 118.700 0.006 0.000 2.328 1264 N HA 0.212 4.952 4.740 0.000 0.000 0.247 1264 N C -0.020 175.566 175.510 0.127 0.000 1.165 1264 N CA 0.069 53.157 53.050 0.062 0.000 0.873 1264 N CB -0.613 37.908 38.487 0.056 0.000 1.125 1264 N HN 0.903 nan 8.380 nan 0.000 0.513 1265 H N -0.238 118.813 119.070 -0.031 0.000 2.903 1265 H HA -0.105 4.451 4.556 0.000 0.000 0.285 1265 H C 1.058 176.368 175.328 -0.030 0.000 1.231 1265 H CA 0.755 56.785 56.048 -0.029 0.000 1.135 1265 H CB -1.329 28.428 29.762 -0.008 0.000 1.328 1265 H HN 0.631 nan 8.280 nan 0.000 0.388 1266 G N -0.474 108.336 108.800 0.016 0.000 2.283 1266 G HA2 -0.002 3.958 3.960 0.000 0.000 0.280 1266 G HA3 -0.002 3.958 3.960 0.000 0.000 0.280 1266 G C 1.000 175.924 174.900 0.039 0.000 1.029 1266 G CA 1.209 46.311 45.100 0.003 0.000 0.840 1266 G HN 1.982 nan 8.290 nan 0.000 0.505 1267 A N -2.268 120.594 122.820 0.070 0.000 2.887 1267 A HA -0.266 4.054 4.320 0.000 0.000 0.257 1267 A C 1.631 179.270 177.584 0.092 0.000 1.372 1267 A CA 2.281 54.368 52.037 0.084 0.000 0.879 1267 A CB -1.715 17.330 19.000 0.074 0.000 1.082 1267 A HN 1.126 nan 8.150 nan 0.000 0.703 1268 R N -1.049 119.507 120.500 0.094 0.000 2.310 1268 R HA 0.095 4.435 4.340 0.000 0.000 0.202 1268 R C 1.646 177.955 176.300 0.014 0.000 0.933 1268 R CA 0.873 57.006 56.100 0.055 0.000 1.054 1268 R CB 0.043 30.398 30.300 0.091 0.000 0.985 1268 R HN 0.700 nan 8.270 nan 0.000 0.489 1269 Q N 0.157 119.967 119.800 0.017 0.000 3.081 1269 Q HA 0.177 4.517 4.340 0.000 0.000 0.219 1269 Q C 0.022 176.047 176.000 0.042 0.000 1.169 1269 Q CA -0.577 55.205 55.803 -0.035 0.000 0.309 1269 Q CB -0.652 28.009 28.738 -0.128 0.000 5.821 1269 Q HN 0.041 nan 8.270 nan 0.000 0.320 1270 L N 1.990 123.238 121.223 0.042 0.000 2.513 1270 L HA 0.041 4.381 4.340 0.000 0.000 0.272 1270 L C -0.594 176.355 176.870 0.132 0.000 1.187 1270 L CA 0.331 55.217 54.840 0.076 0.000 0.895 1270 L CB -0.249 41.837 42.059 0.045 0.000 1.147 1270 L HN 0.277 nan 8.230 nan 0.000 0.483 1271 Y N 4.476 124.803 120.300 0.044 0.000 2.316 1271 Y HA 0.233 4.783 4.550 0.000 0.000 0.324 1271 Y C 0.917 176.862 175.900 0.075 0.000 1.267 1271 Y CA -0.220 57.923 58.100 0.072 0.000 1.311 1271 Y CB 0.578 39.070 38.460 0.053 0.000 1.267 1271 Y HN 0.869 nan 8.280 nan 0.000 0.516 1272 E N 0.894 120.483 120.200 -1.018 0.000 2.416 1272 E HA -0.217 4.133 4.350 0.000 0.000 0.249 1272 E C -1.397 175.063 176.600 -0.233 0.000 1.124 1272 E CA 0.420 56.378 56.400 -0.737 0.000 0.732 1272 E CB -1.162 28.127 29.700 -0.685 0.000 1.286 1272 E HN 0.713 nan 8.360 nan 0.000 0.394 1273 A N 0.641 123.426 122.820 -0.058 0.000 2.346 1273 A HA 0.825 5.145 4.320 0.000 0.000 0.313 1273 A C -2.467 175.196 177.584 0.132 0.000 1.140 1273 A CA -1.198 50.860 52.037 0.034 0.000 0.826 1273 A CB 1.026 20.049 19.000 0.038 0.000 1.332 1273 A HN 0.073 nan 8.150 nan 0.000 0.457 1274 P HA 0.247 nan 4.420 nan 0.000 0.272 1274 P C 0.349 177.681 177.300 0.054 0.000 1.230 1274 P CA 0.194 63.358 63.100 0.106 0.000 0.788 1274 P CB 0.350 32.087 31.700 0.061 0.000 0.949 1275 G N 0.660 109.460 108.800 -0.001 0.000 2.305 1275 G HA2 0.013 3.973 3.960 0.000 0.000 0.243 1275 G HA3 0.013 3.973 3.960 0.000 0.000 0.243 1275 G C 1.282 176.171 174.900 -0.017 0.000 1.288 1275 G CA -0.017 45.043 45.100 -0.067 0.000 0.901 1275 G HN 0.522 nan 8.290 nan 0.000 0.516 1276 S N 2.330 118.043 115.700 0.021 0.000 2.374 1276 S HA -0.242 4.228 4.470 0.000 0.000 0.227 1276 S C 1.957 176.728 174.600 0.285 0.000 1.037 1276 S CA 1.889 60.165 58.200 0.126 0.000 1.024 1276 S CB -0.408 62.825 63.200 0.056 0.000 0.861 1276 S HN 0.648 nan 8.310 nan 0.000 0.456 1277 F N 1.753 121.689 119.950 -0.023 0.000 2.216 1277 F HA -0.112 4.415 4.527 0.000 0.000 0.300 1277 F C 1.825 177.487 175.800 -0.230 0.000 1.085 1277 F CA 1.631 59.415 58.000 -0.359 0.000 1.326 1277 F CB -0.170 38.154 39.000 -1.128 0.000 1.027 1277 F HN 0.212 nan 8.300 nan 0.000 0.497 1278 D N -0.235 120.014 120.400 -0.251 0.000 2.310 1278 D HA -0.127 4.513 4.640 0.000 0.000 0.212 1278 D C 2.333 178.514 176.300 -0.197 0.000 0.965 1278 D CA 1.683 55.532 54.000 -0.252 0.000 0.879 1278 D CB -0.280 40.493 40.800 -0.046 0.000 0.921 1278 D HN 0.446 nan 8.370 nan 0.000 0.510 1279 T N -1.693 112.801 114.554 -0.101 0.000 3.057 1279 T HA -0.005 4.345 4.350 0.000 0.000 0.254 1279 T C 1.901 176.574 174.700 -0.045 0.000 1.094 1279 T CA -0.072 62.000 62.100 -0.047 0.000 1.088 1279 T CB -0.077 68.808 68.868 0.028 0.000 0.934 1279 T HN -0.009 nan 8.240 nan 0.000 0.497 1280 L N 2.656 123.831 121.223 -0.079 0.000 1.994 1280 L HA 0.174 4.514 4.340 0.000 0.000 0.208 1280 L C -0.904 175.926 176.870 -0.066 0.000 1.071 1280 L CA 1.871 56.695 54.840 -0.028 0.000 0.745 1280 L CB -1.322 40.678 42.059 -0.099 0.000 0.892 1280 L HN 0.099 nan 8.230 nan 0.000 0.431 1281 P HA -0.150 nan 4.420 nan 0.000 0.215 1281 P C 1.545 178.810 177.300 -0.058 0.000 1.153 1281 P CA 2.112 65.153 63.100 -0.099 0.000 0.853 1281 P CB -0.248 31.370 31.700 -0.138 0.000 0.788 1282 A N -0.949 121.830 122.820 -0.069 0.000 1.930 1282 A HA -0.146 4.174 4.320 0.000 0.000 0.217 1282 A C 2.203 179.772 177.584 -0.026 0.000 1.175 1282 A CA 1.301 53.304 52.037 -0.055 0.000 0.627 1282 A CB -1.547 17.403 19.000 -0.083 0.000 0.815 1282 A HN 0.115 nan 8.150 nan 0.000 0.443 1283 I N -0.282 120.286 120.570 -0.005 0.000 2.202 1283 I HA -0.242 3.928 4.170 0.000 0.000 0.242 1283 I C 2.956 179.098 176.117 0.042 0.000 1.091 1283 I CA 0.993 62.314 61.300 0.034 0.000 1.368 1283 I CB -0.303 37.741 38.000 0.073 0.000 1.058 1283 I HN 0.335 nan 8.210 nan 0.000 0.410 1284 A N 0.061 122.904 122.820 0.038 0.000 1.940 1284 A HA -0.254 4.066 4.320 0.000 0.000 0.219 1284 A C 2.361 179.961 177.584 0.027 0.000 1.176 1284 A CA 1.787 53.849 52.037 0.041 0.000 0.631 1284 A CB -0.529 18.494 19.000 0.038 0.000 0.814 1284 A HN 0.433 nan 8.150 nan 0.000 0.446 1285 E N -0.266 119.941 120.200 0.012 0.000 2.107 1285 E HA -0.191 4.159 4.350 0.000 0.000 0.191 1285 E C 2.230 178.836 176.600 0.011 0.000 0.982 1285 E CA 1.167 57.571 56.400 0.007 0.000 0.809 1285 E CB -0.112 29.584 29.700 -0.007 0.000 0.756 1285 E HN 0.451 nan 8.360 nan 0.000 0.459 1286 R N 0.288 120.797 120.500 0.014 0.000 2.073 1286 R HA -0.045 4.295 4.340 0.000 0.000 0.229 1286 R C 2.377 178.693 176.300 0.027 0.000 1.120 1286 R CA 1.186 57.298 56.100 0.020 0.000 0.967 1286 R CB -0.729 29.586 30.300 0.025 0.000 0.862 1286 R HN 0.029 nan 8.270 nan 0.000 0.436 1287 V N 1.390 121.324 119.914 0.035 0.000 2.295 1287 V HA -0.220 3.900 4.120 0.000 0.000 0.246 1287 V C 1.009 177.120 176.094 0.028 0.000 1.049 1287 V CA 1.879 64.201 62.300 0.037 0.000 1.024 1287 V CB -0.895 30.959 31.823 0.051 0.000 0.648 1287 V HN 0.788 nan 8.190 nan 0.000 0.447 1288 N N 0.068 118.784 118.700 0.027 0.000 2.714 1288 N HA -0.310 4.430 4.740 0.000 0.000 0.253 1288 N C 0.441 175.964 175.510 0.022 0.000 1.024 1288 N CA 0.632 53.695 53.050 0.022 0.000 0.726 1288 N CB -0.707 37.790 38.487 0.016 0.000 0.908 1288 N HN 0.724 nan 8.380 nan 0.000 0.542 1289 K N -3.034 117.383 120.400 0.028 0.000 3.547 1289 K HA -0.307 4.013 4.320 0.000 0.000 0.309 1289 K C 1.031 177.643 176.600 0.021 0.000 1.324 1289 K CA 1.647 57.951 56.287 0.027 0.000 0.988 1289 K CB -1.086 31.427 32.500 0.023 0.000 1.261 1289 K HN 0.434 nan 8.250 nan 0.000 0.444 1290 R N 1.096 121.606 120.500 0.017 0.000 2.081 1290 R HA -0.050 4.290 4.340 0.000 0.000 0.235 1290 R C 1.241 177.539 176.300 -0.002 0.000 1.131 1290 R CA 1.707 57.810 56.100 0.006 0.000 0.960 1290 R CB 0.033 30.335 30.300 0.005 0.000 0.856 1290 R HN 0.371 nan 8.270 nan 0.000 0.436 1291 V N -3.781 116.135 119.914 0.003 0.000 3.114 1291 V HA 0.559 4.679 4.120 0.000 0.000 0.308 1291 V C -2.821 173.287 176.094 0.024 0.000 1.168 1291 V CA -3.169 59.122 62.300 -0.016 0.000 1.015 1291 V CB 2.235 34.023 31.823 -0.058 0.000 1.050 1291 V HN -0.184 nan 8.190 nan 0.000 0.433 1292 P HA 0.482 nan 4.420 nan 0.000 0.272 1292 P C -0.777 176.630 177.300 0.179 0.000 1.223 1292 P CA 0.055 63.223 63.100 0.114 0.000 0.784 1292 P CB 0.417 32.217 31.700 0.166 0.000 0.923 1293 I N 1.216 121.896 120.570 0.182 0.000 2.378 1293 I HA 0.256 4.426 4.170 0.000 0.000 0.291 1293 I C -0.316 175.885 176.117 0.139 0.000 0.992 1293 I CA -1.016 60.400 61.300 0.193 0.000 1.154 1293 I CB 1.812 39.907 38.000 0.158 0.000 1.315 1293 I HN -0.047 nan 8.210 nan 0.000 0.448 1294 V N 6.614 126.551 119.914 0.038 0.000 2.472 1294 V HA 0.340 4.460 4.120 0.000 0.000 0.290 1294 V C -0.559 175.396 176.094 -0.233 0.000 1.037 1294 V CA -0.565 61.532 62.300 -0.338 0.000 0.908 1294 V CB 1.579 32.688 31.823 -1.191 0.000 0.985 1294 V HN 0.462 nan 8.190 nan 0.000 0.454 1295 F N 5.461 125.268 119.950 -0.239 0.000 2.495 1295 F HA 0.760 5.287 4.527 0.000 0.000 0.327 1295 F C -0.430 175.350 175.800 -0.033 0.000 1.103 1295 F CA -0.529 57.439 58.000 -0.053 0.000 0.949 1295 F CB 1.535 40.592 39.000 0.095 0.000 1.142 1295 F HN 0.704 nan 8.300 nan 0.000 0.457 1296 D N 1.450 121.273 120.400 -0.962 0.000 2.652 1296 D HA 0.646 5.286 4.640 0.000 0.000 0.285 1296 D C -1.435 174.387 176.300 -0.797 0.000 1.173 1296 D CA -1.001 52.616 54.000 -0.639 0.000 0.981 1296 D CB 1.700 42.448 40.800 -0.087 0.000 1.440 1296 D HN 0.512 nan 8.370 nan 0.000 0.485 1297 S N -1.142 114.399 115.700 -0.266 0.000 3.820 1297 S HA 0.448 4.918 4.470 0.000 0.000 0.761 1297 S C 0.411 175.066 174.600 0.093 0.000 0.478 1297 S CA 0.255 58.397 58.200 -0.096 0.000 1.364 1297 S CB -1.443 61.683 63.200 -0.125 0.000 0.736 1297 S HN 1.840 nan 8.310 nan 0.000 1.000 1298 G N -0.357 108.552 108.800 0.182 0.000 2.183 1298 G HA2 -0.128 3.832 3.960 0.000 0.000 0.168 1298 G HA3 -0.128 3.832 3.960 0.000 0.000 0.168 1298 G C -0.049 175.156 174.900 0.509 0.000 1.008 1298 G CA -0.267 45.034 45.100 0.334 0.000 0.677 1298 G HN 1.356 nan 8.290 nan 0.000 0.498 1299 V N 1.964 122.110 119.914 0.387 0.000 2.450 1299 V HA 0.381 4.501 4.120 0.000 0.000 0.281 1299 V C 1.347 177.557 176.094 0.195 0.000 1.019 1299 V CA 0.309 62.743 62.300 0.223 0.000 1.062 1299 V CB 1.105 32.977 31.823 0.082 0.000 0.979 1299 V HN 0.352 nan 8.190 nan 0.000 0.477 1300 R N 3.741 124.425 120.500 0.306 0.000 2.517 1300 R HA 0.348 4.688 4.340 0.000 0.000 0.265 1300 R C 0.429 176.693 176.300 -0.060 0.000 0.921 1300 R CA 0.035 56.199 56.100 0.106 0.000 1.054 1300 R CB 0.863 30.942 30.300 -0.368 0.000 1.340 1300 R HN 0.577 nan 8.270 nan 0.000 0.551 1301 R N -1.491 118.876 120.500 -0.222 0.000 2.808 1301 R HA 0.404 4.745 4.340 0.000 0.000 0.272 1301 R C 0.909 177.025 176.300 -0.307 0.000 0.995 1301 R CA -0.273 55.556 56.100 -0.453 0.000 0.917 1301 R CB 1.093 30.916 30.300 -0.794 0.000 1.217 1301 R HN -0.023 nan 8.270 nan 0.000 0.471 1302 G N 0.764 109.396 108.800 -0.279 0.000 2.469 1302 G HA2 -0.294 3.666 3.960 0.000 0.000 0.220 1302 G HA3 -0.294 3.666 3.960 0.000 0.000 0.220 1302 G C 0.787 175.566 174.900 -0.202 0.000 1.136 1302 G CA 0.947 45.947 45.100 -0.166 0.000 0.759 1302 G HN 0.576 nan 8.290 nan 0.000 0.562 1303 E N 0.071 120.088 120.200 -0.306 0.000 2.118 1303 E HA -0.105 4.245 4.350 0.000 0.000 0.195 1303 E C 2.087 178.528 176.600 -0.266 0.000 0.992 1303 E CA 1.253 57.504 56.400 -0.249 0.000 0.804 1303 E CB -0.354 29.205 29.700 -0.235 0.000 0.741 1303 E HN 0.778 nan 8.360 nan 0.000 0.458 1304 H N -0.909 117.818 119.070 -0.571 0.000 2.357 1304 H HA -0.039 4.517 4.556 0.000 0.000 0.301 1304 H C 2.097 177.036 175.328 -0.648 0.000 1.082 1304 H CA 0.881 56.230 56.048 -1.166 0.000 1.342 1304 H CB 0.066 28.727 29.762 -1.836 0.000 1.389 1304 H HN -0.028 nan 8.280 nan 0.000 0.511 1305 V N 1.467 121.258 119.914 -0.206 0.000 2.252 1305 V HA -0.347 3.773 4.120 0.000 0.000 0.249 1305 V C 2.761 178.851 176.094 -0.007 0.000 1.056 1305 V CA 1.877 64.153 62.300 -0.039 0.000 1.022 1305 V CB -1.012 30.844 31.823 0.054 0.000 0.641 1305 V HN 0.568 nan 8.190 nan 0.000 0.445 1306 A N -0.358 122.448 122.820 -0.024 0.000 1.883 1306 A HA -0.279 4.041 4.320 0.000 0.000 0.217 1306 A C 2.298 179.913 177.584 0.051 0.000 1.186 1306 A CA 2.274 54.322 52.037 0.018 0.000 0.624 1306 A CB -0.512 18.493 19.000 0.009 0.000 0.822 1306 A HN 0.573 nan 8.150 nan 0.000 0.444 1307 K N -0.439 119.979 120.400 0.030 0.000 2.097 1307 K HA -0.024 4.296 4.320 0.000 0.000 0.206 1307 K C 2.307 179.042 176.600 0.225 0.000 1.049 1307 K CA 1.035 57.402 56.287 0.133 0.000 0.933 1307 K CB -0.307 32.230 32.500 0.063 0.000 0.717 1307 K HN 0.458 nan 8.250 nan 0.000 0.442 1308 A N 1.076 123.979 122.820 0.138 0.000 1.877 1308 A HA -0.153 4.167 4.320 0.000 0.000 0.216 1308 A C 2.021 179.678 177.584 0.122 0.000 1.186 1308 A CA 1.303 53.414 52.037 0.124 0.000 0.620 1308 A CB -0.502 18.533 19.000 0.058 0.000 0.822 1308 A HN 0.086 nan 8.150 nan 0.000 0.443 1309 L N -0.252 121.034 121.223 0.104 0.000 2.046 1309 L HA -0.115 4.225 4.340 0.000 0.000 0.208 1309 L C 2.968 179.896 176.870 0.098 0.000 1.077 1309 L CA 1.911 56.806 54.840 0.093 0.000 0.747 1309 L CB -0.976 41.129 42.059 0.076 0.000 0.896 1309 L HN 0.393 nan 8.230 nan 0.000 0.432 1310 A N -1.858 121.030 122.820 0.114 0.000 2.076 1310 A HA -0.146 4.174 4.320 0.000 0.000 0.220 1310 A C 2.288 179.944 177.584 0.120 0.000 1.160 1310 A CA 1.904 54.012 52.037 0.118 0.000 0.653 1310 A CB -0.475 18.609 19.000 0.141 0.000 0.801 1310 A HN 0.427 nan 8.150 nan 0.000 0.455 1311 S N -2.237 113.546 115.700 0.139 0.000 2.540 1311 S HA 0.418 4.888 4.470 0.000 0.000 0.218 1311 S C 1.153 175.789 174.600 0.061 0.000 0.977 1311 S CA 0.616 58.875 58.200 0.099 0.000 0.918 1311 S CB 0.549 63.823 63.200 0.124 0.000 0.806 1311 S HN 1.506 nan 8.310 nan 0.000 0.496 1312 G N 1.067 109.913 108.800 0.076 0.000 2.183 1312 G HA2 -0.042 3.918 3.960 0.000 0.000 0.168 1312 G HA3 -0.042 3.918 3.960 0.000 0.000 0.168 1312 G C 0.082 175.036 174.900 0.089 0.000 1.008 1312 G CA -0.319 44.823 45.100 0.070 0.000 0.677 1312 G HN 0.713 nan 8.290 nan 0.000 0.498 1313 A N 0.206 123.089 122.820 0.104 0.000 2.340 1313 A HA 0.630 4.950 4.320 0.000 0.000 0.268 1313 A C 1.027 178.673 177.584 0.102 0.000 1.100 1313 A CA 0.546 52.659 52.037 0.127 0.000 0.803 1313 A CB 0.452 19.557 19.000 0.175 0.000 1.043 1313 A HN 0.163 nan 8.150 nan 0.000 0.488 1314 D N -0.301 120.159 120.400 0.100 0.000 2.183 1314 D HA 0.076 4.716 4.640 0.000 0.000 0.205 1314 D C 0.713 177.053 176.300 0.066 0.000 0.962 1314 D CA 2.088 56.140 54.000 0.087 0.000 0.849 1314 D CB 0.275 41.141 40.800 0.110 0.000 0.978 1314 D HN 0.539 nan 8.370 nan 0.000 0.488 1315 V N -1.730 118.213 119.914 0.048 0.000 3.188 1315 V HA 0.592 4.712 4.120 0.000 0.000 0.305 1315 V C -0.396 175.701 176.094 0.004 0.000 1.232 1315 V CA -1.083 61.224 62.300 0.013 0.000 1.043 1315 V CB 2.064 33.859 31.823 -0.046 0.000 1.068 1315 V HN -0.097 nan 8.190 nan 0.000 0.439 1316 V N -0.619 119.313 119.914 0.030 0.000 2.975 1316 V HA 1.055 5.175 4.120 0.000 0.000 0.318 1316 V C 0.284 176.310 176.094 -0.113 0.000 1.077 1316 V CA -0.156 62.163 62.300 0.032 0.000 1.000 1316 V CB 1.324 33.239 31.823 0.154 0.000 1.066 1316 V HN 2.185 nan 8.190 nan 0.000 0.452 1317 A N 3.290 126.009 122.820 -0.169 0.000 2.330 1317 A HA 0.870 5.190 4.320 0.000 0.000 0.327 1317 A C -0.675 176.829 177.584 -0.134 0.000 1.155 1317 A CA -0.815 51.137 52.037 -0.142 0.000 0.803 1317 A CB 0.972 19.948 19.000 -0.040 0.000 1.208 1317 A HN 0.967 nan 8.150 nan 0.000 0.477 1318 L N 2.230 123.335 121.223 -0.197 0.000 2.325 1318 L HA 0.705 5.045 4.340 0.000 0.000 0.278 1318 L C 1.008 177.762 176.870 -0.194 0.000 1.023 1318 L CA -0.268 54.387 54.840 -0.308 0.000 0.811 1318 L CB 1.967 43.688 42.059 -0.563 0.000 1.249 1318 L HN 0.911 nan 8.230 nan 0.000 0.431 1319 G N 0.821 109.505 108.800 -0.194 0.000 2.710 1319 G HA2 0.171 4.131 3.960 0.000 0.000 0.198 1319 G HA3 0.171 4.131 3.960 0.000 0.000 0.198 1319 G C 0.976 175.716 174.900 -0.266 0.000 1.797 1319 G CA -0.297 44.691 45.100 -0.187 0.000 0.759 1319 G HN 0.527 nan 8.290 nan 0.000 0.808 1320 R N 1.208 121.511 120.500 -0.329 0.000 2.159 1320 R HA -0.154 4.186 4.340 0.000 0.000 0.249 1320 R C -0.225 175.691 176.300 -0.641 0.000 1.136 1320 R CA 2.461 58.197 56.100 -0.607 0.000 0.951 1320 R CB -1.266 28.699 30.300 -0.559 0.000 0.876 1320 R HN 0.282 nan 8.270 nan 0.000 0.440 1321 P HA -0.118 nan 4.420 nan 0.000 0.216 1321 P C 1.389 178.666 177.300 -0.038 0.000 1.150 1321 P CA 1.133 64.214 63.100 -0.032 0.000 0.837 1321 P CB 0.008 31.776 31.700 0.114 0.000 0.786 1322 V N -0.917 118.935 119.914 -0.104 0.000 2.358 1322 V HA -0.184 3.936 4.120 0.000 0.000 0.246 1322 V C 2.375 178.416 176.094 -0.087 0.000 1.047 1322 V CA 1.355 63.609 62.300 -0.077 0.000 1.035 1322 V CB -1.166 30.596 31.823 -0.101 0.000 0.658 1322 V HN 0.038 nan 8.190 nan 0.000 0.452 1323 L N -0.720 120.382 121.223 -0.202 0.000 2.056 1323 L HA -0.052 4.288 4.340 0.000 0.000 0.207 1323 L C 2.231 179.088 176.870 -0.020 0.000 1.078 1323 L CA 1.893 56.617 54.840 -0.193 0.000 0.749 1323 L CB -0.703 41.157 42.059 -0.332 0.000 0.901 1323 L HN 0.220 nan 8.230 nan 0.000 0.433 1324 F N -0.114 119.841 119.950 0.007 0.000 2.120 1324 F HA -0.131 4.396 4.527 0.000 0.000 0.300 1324 F C 2.529 178.348 175.800 0.031 0.000 1.095 1324 F CA 1.123 59.151 58.000 0.047 0.000 1.249 1324 F CB -1.810 37.215 39.000 0.040 0.000 0.995 1324 F HN 0.160 nan 8.300 nan 0.000 0.480 1325 G N -0.227 108.679 108.800 0.178 0.000 2.422 1325 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 1325 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 1325 G C 1.753 176.685 174.900 0.054 0.000 1.146 1325 G CA 0.839 45.993 45.100 0.089 0.000 0.769 1325 G HN 0.345 nan 8.290 nan 0.000 0.547 1326 L N 1.205 122.458 121.223 0.049 0.000 2.046 1326 L HA 0.120 4.460 4.340 0.000 0.000 0.208 1326 L C 3.146 180.063 176.870 0.078 0.000 1.077 1326 L CA 2.077 56.920 54.840 0.005 0.000 0.747 1326 L CB -0.577 41.503 42.059 0.034 0.000 0.896 1326 L HN 0.238 nan 8.230 nan 0.000 0.432 1327 A N -0.762 122.178 122.820 0.200 0.000 1.892 1327 A HA -0.212 4.108 4.320 0.000 0.000 0.218 1327 A C 2.090 179.824 177.584 0.251 0.000 1.188 1327 A CA 2.103 54.312 52.037 0.287 0.000 0.631 1327 A CB -0.870 18.315 19.000 0.308 0.000 0.822 1327 A HN 0.404 nan 8.150 nan 0.000 0.447 1328 L N -1.786 119.531 121.223 0.156 0.000 2.240 1328 L HA 0.123 4.463 4.340 0.000 0.000 0.211 1328 L C 1.950 178.856 176.870 0.061 0.000 1.106 1328 L CA 1.816 56.713 54.840 0.095 0.000 0.793 1328 L CB -0.783 41.312 42.059 0.060 0.000 0.927 1328 L HN 0.504 nan 8.230 nan 0.000 0.446 1329 G N -2.739 106.066 108.800 0.009 0.000 4.750 1329 G HA2 0.428 4.388 3.960 0.000 0.000 0.266 1329 G HA3 0.428 4.388 3.960 0.000 0.000 0.266 1329 G C 0.817 175.566 174.900 -0.251 0.000 1.000 1329 G CA 0.385 45.430 45.100 -0.092 0.000 0.776 1329 G HN 0.514 nan 8.290 nan 0.000 0.357 1330 G N 1.003 109.522 108.800 -0.469 0.000 2.581 1330 G HA2 -0.372 3.588 3.960 0.000 0.000 0.291 1330 G HA3 -0.372 3.588 3.960 0.000 0.000 0.291 1330 G C 1.387 176.108 174.900 -0.299 0.000 1.277 1330 G CA 0.879 45.482 45.100 -0.829 0.000 0.959 1330 G HN 1.005 nan 8.290 nan 0.000 0.554 1331 W N 0.517 121.682 121.300 -0.224 0.000 2.350 1331 W HA -0.100 4.560 4.660 0.000 0.000 0.289 1331 W C 1.976 178.459 176.519 -0.060 0.000 1.215 1331 W CA 1.731 59.024 57.345 -0.087 0.000 1.236 1331 W CB -0.726 28.709 29.460 -0.041 0.000 1.130 1331 W HN 0.677 nan 8.180 nan 0.000 0.541 1332 Q N 0.581 119.765 119.800 -1.027 0.000 2.187 1332 Q HA 0.012 4.352 4.340 0.000 0.000 0.199 1332 Q C 2.770 178.514 176.000 -0.427 0.000 0.957 1332 Q CA 1.431 56.498 55.803 -1.226 0.000 0.857 1332 Q CB -0.509 27.024 28.738 -2.009 0.000 0.929 1332 Q HN 0.429 nan 8.270 nan 0.000 0.453 1333 G N 0.956 109.584 108.800 -0.286 0.000 2.404 1333 G HA2 -0.214 3.746 3.960 0.000 0.000 0.215 1333 G HA3 -0.214 3.746 3.960 0.000 0.000 0.215 1333 G C 1.507 176.415 174.900 0.013 0.000 1.174 1333 G CA 0.797 45.845 45.100 -0.086 0.000 0.780 1333 G HN 0.395 nan 8.290 nan 0.000 0.537 1334 A N -0.007 122.826 122.820 0.022 0.000 1.902 1334 A HA -0.069 4.251 4.320 0.000 0.000 0.217 1334 A C 2.215 179.881 177.584 0.138 0.000 1.181 1334 A CA 1.720 53.804 52.037 0.079 0.000 0.623 1334 A CB -0.755 18.305 19.000 0.102 0.000 0.818 1334 A HN 0.479 nan 8.150 nan 0.000 0.443 1335 Y N 1.148 121.514 120.300 0.109 0.000 2.207 1335 Y HA -0.209 4.341 4.550 0.000 0.000 0.287 1335 Y C 2.739 178.753 175.900 0.191 0.000 1.156 1335 Y CA 1.846 60.072 58.100 0.210 0.000 1.182 1335 Y CB -0.222 38.433 38.460 0.325 0.000 0.979 1335 Y HN 0.312 nan 8.280 nan 0.000 0.521 1336 S N -0.780 115.123 115.700 0.337 0.000 2.400 1336 S HA -0.192 4.278 4.470 0.000 0.000 0.232 1336 S C 2.019 176.681 174.600 0.104 0.000 1.025 1336 S CA 1.374 59.722 58.200 0.247 0.000 0.993 1336 S CB -0.555 62.773 63.200 0.213 0.000 0.808 1336 S HN 0.335 nan 8.310 nan 0.000 0.478 1337 V N 1.917 121.867 119.914 0.059 0.000 2.323 1337 V HA -0.094 4.026 4.120 0.000 0.000 0.244 1337 V C 2.143 178.282 176.094 0.076 0.000 1.041 1337 V CA 1.336 63.667 62.300 0.052 0.000 1.025 1337 V CB -0.689 31.163 31.823 0.048 0.000 0.656 1337 V HN 0.417 nan 8.190 nan 0.000 0.451 1338 L N 0.188 121.344 121.223 -0.111 0.000 2.042 1338 L HA -0.226 4.114 4.340 0.000 0.000 0.210 1338 L C 2.409 179.102 176.870 -0.295 0.000 1.076 1338 L CA 2.171 56.779 54.840 -0.386 0.000 0.749 1338 L CB -0.741 40.853 42.059 -0.775 0.000 0.893 1338 L HN 0.409 nan 8.230 nan 0.000 0.432 1339 D N -0.687 119.592 120.400 -0.203 0.000 2.123 1339 D HA -0.285 4.355 4.640 0.000 0.000 0.196 1339 D C 2.076 178.422 176.300 0.076 0.000 0.992 1339 D CA 1.238 55.258 54.000 0.033 0.000 0.833 1339 D CB -0.111 40.711 40.800 0.038 0.000 0.954 1339 D HN 0.327 nan 8.370 nan 0.000 0.455 1340 Y N -0.183 120.076 120.300 -0.068 0.000 2.097 1340 Y HA -0.228 4.322 4.550 0.000 0.000 0.282 1340 Y C 1.871 177.661 175.900 -0.184 0.000 1.152 1340 Y CA 1.779 59.788 58.100 -0.151 0.000 1.136 1340 Y CB -0.692 37.611 38.460 -0.261 0.000 0.975 1340 Y HN -0.026 nan 8.280 nan 0.000 0.498 1341 F N 0.656 120.475 119.950 -0.218 0.000 2.161 1341 F HA -0.252 4.275 4.527 0.000 0.000 0.300 1341 F C 2.791 178.519 175.800 -0.119 0.000 1.089 1341 F CA 2.069 59.846 58.000 -0.371 0.000 1.282 1341 F CB -0.684 37.851 39.000 -0.776 0.000 1.010 1341 F HN 0.184 nan 8.300 nan 0.000 0.485 1342 Q N 0.854 120.843 119.800 0.316 0.000 2.079 1342 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 1342 Q C 2.061 178.126 176.000 0.108 0.000 0.974 1342 Q CA 1.510 57.532 55.803 0.366 0.000 0.840 1342 Q CB -0.104 28.937 28.738 0.505 0.000 0.898 1342 Q HN 0.391 nan 8.270 nan 0.000 0.430 1343 K N 0.165 120.558 120.400 -0.012 0.000 2.155 1343 K HA -0.127 4.193 4.320 0.000 0.000 0.203 1343 K C 1.721 178.200 176.600 -0.202 0.000 1.052 1343 K CA 1.219 57.450 56.287 -0.093 0.000 0.948 1343 K CB -0.003 32.434 32.500 -0.105 0.000 0.728 1343 K HN 0.122 nan 8.250 nan 0.000 0.448 1344 D N 0.840 121.006 120.400 -0.390 0.000 2.117 1344 D HA -0.132 4.508 4.640 0.000 0.000 0.198 1344 D C 1.689 177.857 176.300 -0.219 0.000 0.982 1344 D CA 0.543 54.269 54.000 -0.457 0.000 0.828 1344 D CB 0.083 40.366 40.800 -0.862 0.000 0.967 1344 D HN -0.043 nan 8.370 nan 0.000 0.464 1345 L N 0.230 121.388 121.223 -0.108 0.000 2.046 1345 L HA -0.106 4.234 4.340 0.000 0.000 0.208 1345 L C 2.146 179.004 176.870 -0.020 0.000 1.077 1345 L CA 1.777 56.607 54.840 -0.017 0.000 0.747 1345 L CB -1.060 41.059 42.059 0.100 0.000 0.896 1345 L HN -0.000 nan 8.230 nan 0.000 0.432 1346 T N -0.214 114.328 114.554 -0.019 0.000 2.684 1346 T HA -0.267 4.084 4.350 0.000 0.000 0.267 1346 T C 1.977 176.657 174.700 -0.033 0.000 1.036 1346 T CA 1.784 63.873 62.100 -0.018 0.000 1.148 1346 T CB -0.333 68.526 68.868 -0.015 0.000 0.863 1346 T HN 0.378 nan 8.240 nan 0.000 0.436 1347 R N 0.632 121.097 120.500 -0.058 0.000 2.083 1347 R HA -0.111 4.229 4.340 0.000 0.000 0.237 1347 R C 2.354 178.626 176.300 -0.046 0.000 1.137 1347 R CA 1.526 57.591 56.100 -0.057 0.000 0.951 1347 R CB -0.636 29.614 30.300 -0.083 0.000 0.851 1347 R HN 0.261 nan 8.270 nan 0.000 0.434 1348 V N 1.419 121.300 119.914 -0.056 0.000 2.343 1348 V HA -0.303 3.817 4.120 0.000 0.000 0.247 1348 V C 2.507 178.592 176.094 -0.015 0.000 1.051 1348 V CA 2.165 64.440 62.300 -0.041 0.000 1.036 1348 V CB -0.420 31.369 31.823 -0.056 0.000 0.654 1348 V HN 0.407 nan 8.190 nan 0.000 0.451 1349 M N -0.663 118.931 119.600 -0.010 0.000 2.080 1349 M HA -0.273 4.207 4.480 0.000 0.000 0.260 1349 M C 2.388 178.690 176.300 0.003 0.000 1.068 1349 M CA 2.281 57.583 55.300 0.003 0.000 1.109 1349 M CB -0.481 32.122 32.600 0.005 0.000 1.342 1349 M HN 0.326 nan 8.290 nan 0.000 0.405 1350 Q N 0.955 120.751 119.800 -0.006 0.000 2.050 1350 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 1350 Q C 1.702 177.702 176.000 -0.000 0.000 0.980 1350 Q CA 1.750 57.550 55.803 -0.005 0.000 0.840 1350 Q CB -0.380 28.352 28.738 -0.011 0.000 0.898 1350 Q HN 0.559 nan 8.270 nan 0.000 0.424 1351 L N -0.132 121.089 121.223 -0.003 0.000 2.291 1351 L HA -0.031 4.309 4.340 0.000 0.000 0.214 1351 L C 2.077 178.959 176.870 0.020 0.000 1.120 1351 L CA 1.423 56.265 54.840 0.003 0.000 0.799 1351 L CB -0.554 41.501 42.059 -0.007 0.000 0.925 1351 L HN 0.388 nan 8.230 nan 0.000 0.446 1352 T N -3.880 110.689 114.554 0.025 0.000 3.081 1352 T HA 0.206 4.556 4.350 0.000 0.000 0.250 1352 T C 1.373 176.096 174.700 0.038 0.000 1.100 1352 T CA 0.412 62.539 62.100 0.046 0.000 1.038 1352 T CB 0.395 69.295 68.868 0.054 0.000 0.962 1352 T HN 0.414 nan 8.240 nan 0.000 0.516 1353 G N 0.953 109.767 108.800 0.024 0.000 2.182 1353 G HA2 -0.206 3.754 3.960 0.000 0.000 0.248 1353 G HA3 -0.206 3.754 3.960 0.000 0.000 0.248 1353 G C -0.055 174.855 174.900 0.018 0.000 1.042 1353 G CA -0.037 45.074 45.100 0.018 0.000 0.775 1353 G HN 0.689 nan 8.290 nan 0.000 0.501 1354 S N -0.260 115.451 115.700 0.018 0.000 2.448 1354 S HA 0.458 4.928 4.470 0.000 0.000 0.320 1354 S C 0.884 175.491 174.600 0.012 0.000 1.071 1354 S CA -0.261 57.950 58.200 0.019 0.000 1.113 1354 S CB 1.774 64.989 63.200 0.025 0.000 0.972 1354 S HN 0.420 nan 8.310 nan 0.000 0.465 1355 Q N 3.275 123.081 119.800 0.010 0.000 2.245 1355 Q HA 0.028 4.368 4.340 0.000 0.000 0.201 1355 Q C 0.238 176.240 176.000 0.004 0.000 0.955 1355 Q CA 1.353 57.160 55.803 0.005 0.000 0.870 1355 Q CB 0.141 28.881 28.738 0.004 0.000 0.945 1355 Q HN 0.852 nan 8.270 nan 0.000 0.461 1356 N N -3.892 114.812 118.700 0.007 0.000 2.972 1356 N HA 0.179 4.919 4.740 0.000 0.000 0.262 1356 N C -0.114 175.402 175.510 0.011 0.000 1.478 1356 N CA -0.271 52.783 53.050 0.006 0.000 0.841 1356 N CB 0.499 38.989 38.487 0.004 0.000 1.512 1356 N HN -0.224 nan 8.380 nan 0.000 0.548 1357 V N 0.122 120.042 119.914 0.009 0.000 2.515 1357 V HA -0.149 3.971 4.120 0.000 0.000 0.250 1357 V C 1.823 177.932 176.094 0.024 0.000 1.058 1357 V CA 1.654 63.963 62.300 0.016 0.000 1.064 1357 V CB -0.773 31.055 31.823 0.009 0.000 0.675 1357 V HN 0.638 nan 8.190 nan 0.000 0.461 1358 E N 0.067 120.279 120.200 0.021 0.000 2.085 1358 E HA -0.222 4.128 4.350 0.000 0.000 0.194 1358 E C 1.953 178.570 176.600 0.028 0.000 0.994 1358 E CA 1.388 57.804 56.400 0.025 0.000 0.801 1358 E CB -0.450 29.263 29.700 0.021 0.000 0.743 1358 E HN 0.596 nan 8.360 nan 0.000 0.453 1359 D N 0.620 121.035 120.400 0.025 0.000 2.178 1359 D HA -0.111 4.529 4.640 0.000 0.000 0.201 1359 D C 2.160 178.481 176.300 0.036 0.000 0.980 1359 D CA 0.470 54.486 54.000 0.027 0.000 0.842 1359 D CB -0.249 40.564 40.800 0.022 0.000 0.948 1359 D HN 0.166 nan 8.370 nan 0.000 0.472 1360 L N 0.442 121.689 121.223 0.039 0.000 2.083 1360 L HA -0.163 4.177 4.340 0.000 0.000 0.209 1360 L C 2.223 179.128 176.870 0.059 0.000 1.083 1360 L CA 1.159 56.029 54.840 0.049 0.000 0.752 1360 L CB -0.208 41.880 42.059 0.048 0.000 0.899 1360 L HN -0.027 nan 8.230 nan 0.000 0.433 1361 K N -0.317 120.115 120.400 0.054 0.000 2.280 1361 K HA -0.075 4.245 4.320 0.000 0.000 0.202 1361 K C 1.747 178.381 176.600 0.057 0.000 1.047 1361 K CA 1.040 57.362 56.287 0.058 0.000 0.942 1361 K CB -0.231 32.300 32.500 0.051 0.000 0.739 1361 K HN 0.366 nan 8.250 nan 0.000 0.457 1362 G N 0.356 109.187 108.800 0.051 0.000 3.189 1362 G HA2 0.052 4.012 3.960 0.000 0.000 0.225 1362 G HA3 0.052 4.012 3.960 0.000 0.000 0.225 1362 G C -0.011 174.924 174.900 0.058 0.000 1.159 1362 G CA -0.337 44.792 45.100 0.048 0.000 0.763 1362 G HN -0.038 nan 8.290 nan 0.000 0.549 1363 L N 1.845 123.113 121.223 0.075 0.000 2.455 1363 L HA 0.246 4.586 4.340 0.000 0.000 0.272 1363 L C -0.221 176.722 176.870 0.121 0.000 1.174 1363 L CA -0.466 54.433 54.840 0.099 0.000 0.869 1363 L CB 0.701 42.830 42.059 0.117 0.000 1.130 1363 L HN 0.012 nan 8.230 nan 0.000 0.474 1364 D N 2.791 123.271 120.400 0.133 0.000 2.304 1364 D HA 0.331 4.971 4.640 0.000 0.000 0.250 1364 D C -0.281 176.206 176.300 0.312 0.000 1.107 1364 D CA -0.225 53.880 54.000 0.175 0.000 0.885 1364 D CB 1.347 42.221 40.800 0.123 0.000 1.192 1364 D HN 0.079 nan 8.370 nan 0.000 0.436 1365 L N 1.991 123.391 121.223 0.296 0.000 2.330 1365 L HA 0.420 4.760 4.340 0.000 0.000 0.271 1365 L C -0.411 176.656 176.870 0.327 0.000 1.013 1365 L CA -0.944 54.085 54.840 0.314 0.000 0.816 1365 L CB 1.080 43.288 42.059 0.247 0.000 1.287 1365 L HN 0.274 nan 8.230 nan 0.000 0.435 1366 F N 1.780 121.737 119.950 0.011 0.000 2.420 1366 F HA 0.249 4.776 4.527 0.000 0.000 0.352 1366 F C 0.444 176.267 175.800 0.039 0.000 1.108 1366 F CA -0.503 57.453 58.000 -0.074 0.000 1.162 1366 F CB 0.666 39.369 39.000 -0.495 0.000 1.118 1366 F HN 0.555 nan 8.300 nan 0.000 0.510 1367 D N 5.306 125.487 120.400 -0.366 0.000 2.348 1367 D HA 0.056 4.696 4.640 0.000 0.000 0.253 1367 D C -0.602 175.584 176.300 -0.192 0.000 1.161 1367 D CA 0.048 53.933 54.000 -0.191 0.000 0.876 1367 D CB 0.387 41.075 40.800 -0.186 0.000 1.160 1367 D HN 0.666 nan 8.370 nan 0.000 0.459 1368 N N 4.846 123.621 118.700 0.125 0.000 2.621 1368 N HA 0.204 4.944 4.740 0.000 0.000 0.237 1368 N C -1.936 173.613 175.510 0.065 0.000 0.997 1368 N CA -1.742 51.461 53.050 0.256 0.000 0.918 1368 N CB 1.448 40.240 38.487 0.508 0.000 1.122 1368 N HN 0.287 nan 8.380 nan 0.000 0.510 1369 P HA -0.031 nan 4.420 nan 0.000 0.236 1369 P C -0.338 176.766 177.300 -0.326 0.000 1.177 1369 P CA 0.495 63.423 63.100 -0.287 0.000 0.773 1369 P CB 0.087 31.535 31.700 -0.421 0.000 0.878 1370 Y N 0.197 120.464 120.300 -0.056 0.000 2.298 1370 Y HA 0.415 4.965 4.550 0.000 0.000 0.329 1370 Y C 2.095 178.028 175.900 0.056 0.000 1.293 1370 Y CA -0.171 57.895 58.100 -0.056 0.000 1.388 1370 Y CB 0.211 38.541 38.460 -0.217 0.000 1.309 1370 Y HN -0.119 nan 8.280 nan 0.000 0.544 1371 G N -0.315 108.643 108.800 0.265 0.000 3.137 1371 G HA2 -0.100 3.860 3.960 0.000 0.000 0.163 1371 G HA3 -0.100 3.860 3.960 0.000 0.000 0.163 1371 G C 0.567 175.706 174.900 0.399 0.000 1.602 1371 G CA -0.199 45.075 45.100 0.290 0.000 1.067 1371 G HN 0.782 nan 8.290 nan 0.000 0.568 1372 Y N 0.522 120.983 120.300 0.269 0.000 2.207 1372 Y HA -0.078 4.472 4.550 0.000 0.000 0.287 1372 Y C 2.745 178.767 175.900 0.203 0.000 1.156 1372 Y CA 2.209 60.437 58.100 0.214 0.000 1.182 1372 Y CB 0.369 38.913 38.460 0.139 0.000 0.979 1372 Y HN 0.257 nan 8.280 nan 0.000 0.521 1373 E N -0.860 119.492 120.200 0.253 0.000 2.435 1373 E HA -0.084 4.266 4.350 0.000 0.000 0.195 1373 E C -0.336 176.376 176.600 0.186 0.000 1.029 1373 E CA 0.475 56.976 56.400 0.167 0.000 0.865 1373 E CB -0.341 29.471 29.700 0.187 0.000 0.833 1373 E HN 0.443 nan 8.360 nan 0.000 0.510 1374 Y N 0.000 120.331 120.300 0.052 0.000 2.660 1374 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 1374 Y CA 0.000 58.104 58.100 0.007 0.000 1.940 1374 Y CB 0.000 38.414 38.460 -0.077 0.000 1.050 1374 Y HN 0.000 nan 8.280 nan 0.000 0.758