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 1m5h_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MKVNGVEVEE TFAEAFDIKI ARVLITGYDY YWAWVAANEA TGFGTSVIMC DATA SEQUENCE PAEAGIEIKA KPSETPDGRP GYYIQICHMS KKGLEEQLLA RLGQCVLTAP DATA SEQUENCE TTAVFNGLPD AEEKDDTGFK LKFFADGYQK EVEVGGRKCW AVPMMEGDFI DATA SEQUENCE IENDIGYTNG IAGGNFFIMA ETQPSALAAA KAAVDAISDV EGVITPFPGG DATA SEQUENCE IVASGSKVGA NKYKFLKAST NEKFAPSIRD QVEGTQIPAG VKAVYEIVIN DATA SEQUENCE GLNADAIKEA TRVGILAATK IPGVVKITAG NYGGKLGKHI INLNELF 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 0.000 176.258 176.300 -0.071 0.000 1.140 1001 M CA 0.000 55.281 55.300 -0.031 0.000 0.988 1001 M CB 0.000 32.593 32.600 -0.011 0.000 1.302 1002 K N 3.155 123.500 120.400 -0.090 0.000 2.371 1002 K HA 0.828 5.148 4.320 0.000 0.000 0.251 1002 K C -1.605 174.883 176.600 -0.186 0.000 0.934 1002 K CA -0.994 55.219 56.287 -0.123 0.000 0.798 1002 K CB 3.131 35.583 32.500 -0.079 0.000 1.204 1002 K HN 0.447 nan 8.250 nan 0.000 0.427 1003 V N 2.583 122.347 119.914 -0.249 0.000 2.483 1003 V HA 0.184 4.304 4.120 0.000 0.000 0.297 1003 V C 0.120 176.102 176.094 -0.186 0.000 1.027 1003 V CA -0.746 61.366 62.300 -0.314 0.000 0.855 1003 V CB 0.957 32.401 31.823 -0.632 0.000 0.995 1003 V HN 0.964 nan 8.190 nan 0.000 0.424 1004 N N 3.782 122.409 118.700 -0.121 0.000 2.714 1004 N HA -0.257 4.483 4.740 0.000 0.000 0.250 1004 N C 1.118 176.591 175.510 -0.061 0.000 1.117 1004 N CA 0.726 53.732 53.050 -0.073 0.000 0.719 1004 N CB -0.651 37.797 38.487 -0.066 0.000 1.081 1004 N HN 1.364 nan 8.380 nan 0.000 0.557 1005 G N -2.283 106.478 108.800 -0.066 0.000 2.217 1005 G HA2 -0.293 3.667 3.960 0.000 0.000 0.246 1005 G HA3 -0.293 3.667 3.960 0.000 0.000 0.246 1005 G C 0.098 174.966 174.900 -0.053 0.000 0.990 1005 G CA 0.215 45.285 45.100 -0.049 0.000 0.627 1005 G HN 0.349 nan 8.290 nan 0.000 0.522 1006 V N 1.423 121.294 119.914 -0.072 0.000 2.617 1006 V HA 0.543 4.663 4.120 0.000 0.000 0.298 1006 V C 0.670 176.713 176.094 -0.086 0.000 1.048 1006 V CA -0.819 61.442 62.300 -0.066 0.000 0.964 1006 V CB 1.925 33.710 31.823 -0.063 0.000 1.004 1006 V HN 0.358 nan 8.190 nan 0.000 0.466 1007 E N 2.503 122.667 120.200 -0.059 0.000 2.289 1007 E HA 0.360 4.710 4.350 0.000 0.000 0.278 1007 E C -1.491 175.068 176.600 -0.068 0.000 1.032 1007 E CA -0.228 56.136 56.400 -0.060 0.000 0.854 1007 E CB 1.507 31.188 29.700 -0.033 0.000 1.046 1007 E HN 0.469 nan 8.360 nan 0.000 0.409 1008 V N 4.874 124.733 119.914 -0.091 0.000 2.409 1008 V HA 0.178 4.298 4.120 0.000 0.000 0.291 1008 V C 0.117 176.188 176.094 -0.038 0.000 1.020 1008 V CA -0.780 61.467 62.300 -0.088 0.000 0.848 1008 V CB 1.457 33.169 31.823 -0.186 0.000 0.990 1008 V HN 0.713 nan 8.190 nan 0.000 0.430 1009 E N 3.499 123.690 120.200 -0.014 0.000 2.344 1009 E HA 0.114 4.464 4.350 0.000 0.000 0.270 1009 E C -0.108 176.495 176.600 0.004 0.000 1.021 1009 E CA -0.306 56.089 56.400 -0.008 0.000 0.887 1009 E CB 0.701 30.395 29.700 -0.011 0.000 0.997 1009 E HN 0.702 nan 8.360 nan 0.000 0.429 1010 E N 3.690 123.898 120.200 0.013 0.000 1.972 1010 E HA 0.039 4.390 4.350 0.000 0.000 0.292 1010 E C -0.190 176.434 176.600 0.040 0.000 1.193 1010 E CA -0.045 56.377 56.400 0.038 0.000 1.228 1010 E CB 0.708 30.432 29.700 0.040 0.000 1.167 1010 E HN 0.349 nan 8.360 nan 0.000 0.479 1011 T N 0.446 115.010 114.554 0.017 0.000 2.633 1011 T HA 0.689 5.039 4.350 0.000 0.000 0.262 1011 T C -1.470 173.256 174.700 0.042 0.000 0.920 1011 T CA -0.701 61.376 62.100 -0.039 0.000 1.062 1011 T CB 0.749 69.492 68.868 -0.209 0.000 1.390 1011 T HN 0.261 nan 8.240 nan 0.000 0.549 1012 F N -0.434 119.481 119.950 -0.059 0.000 2.626 1012 F HA 0.909 5.436 4.527 0.000 0.000 0.311 1012 F C -0.683 175.057 175.800 -0.100 0.000 1.088 1012 F CA -1.611 56.353 58.000 -0.061 0.000 0.949 1012 F CB 0.902 39.876 39.000 -0.042 0.000 1.322 1012 F HN 0.663 nan 8.300 nan 0.000 0.461 1013 A N 0.982 123.905 122.820 0.171 0.000 2.306 1013 A HA 0.603 4.923 4.320 0.000 0.000 0.314 1013 A C -0.845 176.859 177.584 0.200 0.000 1.164 1013 A CA -0.553 51.522 52.037 0.063 0.000 0.822 1013 A CB 0.924 19.952 19.000 0.047 0.000 1.130 1013 A HN 0.879 nan 8.150 nan 0.000 0.496 1014 E N 1.428 121.707 120.200 0.132 0.000 2.141 1014 E HA 0.567 4.917 4.350 0.000 0.000 0.259 1014 E C -0.257 176.253 176.600 -0.150 0.000 0.883 1014 E CA -0.454 55.995 56.400 0.082 0.000 0.744 1014 E CB 1.097 30.930 29.700 0.221 0.000 1.150 1014 E HN 0.850 nan 8.360 nan 0.000 0.420 1015 A N 3.707 126.391 122.820 -0.225 0.000 2.261 1015 A HA 0.791 5.111 4.320 0.000 0.000 0.323 1015 A C -1.140 176.115 177.584 -0.549 0.000 1.107 1015 A CA -0.509 51.362 52.037 -0.276 0.000 0.883 1015 A CB 0.587 19.558 19.000 -0.049 0.000 1.251 1015 A HN 0.570 nan 8.150 nan 0.000 0.502 1016 F N -0.825 119.199 119.950 0.124 0.000 2.611 1016 F HA 0.427 4.954 4.527 0.000 0.000 0.324 1016 F C -0.441 175.409 175.800 0.084 0.000 1.061 1016 F CA -0.563 57.514 58.000 0.130 0.000 0.954 1016 F CB 1.477 40.510 39.000 0.056 0.000 1.301 1016 F HN 0.503 nan 8.300 nan 0.000 0.482 1017 D N 1.314 121.917 120.400 0.337 0.000 2.302 1017 D HA 0.577 5.217 4.640 0.000 0.000 0.248 1017 D C -0.748 175.635 176.300 0.138 0.000 1.094 1017 D CA 0.240 54.361 54.000 0.202 0.000 0.897 1017 D CB 1.265 42.211 40.800 0.242 0.000 1.200 1017 D HN 0.414 nan 8.370 nan 0.000 0.429 1018 I N 0.249 120.872 120.570 0.089 0.000 2.908 1018 I HA 0.221 4.391 4.170 0.000 0.000 0.300 1018 I C -1.393 174.775 176.117 0.085 0.000 1.385 1018 I CA -0.968 60.376 61.300 0.074 0.000 1.004 1018 I CB 1.585 39.620 38.000 0.057 0.000 1.309 1018 I HN 0.015 nan 8.210 nan 0.000 0.449 1019 K N 6.355 126.814 120.400 0.100 0.000 2.205 1019 K HA 0.588 4.908 4.320 0.000 0.000 0.279 1019 K C -1.040 175.634 176.600 0.124 0.000 1.027 1019 K CA -0.223 56.146 56.287 0.137 0.000 0.932 1019 K CB 1.228 33.800 32.500 0.121 0.000 1.032 1019 K HN 0.449 nan 8.250 nan 0.000 0.466 1020 I N 1.619 122.281 120.570 0.154 0.000 2.534 1020 I HA 0.300 4.470 4.170 0.000 0.000 0.288 1020 I C -0.482 175.736 176.117 0.168 0.000 1.077 1020 I CA -0.951 60.425 61.300 0.127 0.000 1.051 1020 I CB 2.138 40.193 38.000 0.091 0.000 1.234 1020 I HN 0.505 nan 8.210 nan 0.000 0.425 1021 A N 6.154 129.060 122.820 0.143 0.000 2.324 1021 A HA 0.796 5.116 4.320 0.000 0.000 0.330 1021 A C -0.525 177.139 177.584 0.134 0.000 1.165 1021 A CA -0.608 51.527 52.037 0.163 0.000 0.813 1021 A CB 1.281 20.358 19.000 0.128 0.000 1.197 1021 A HN 0.793 nan 8.150 nan 0.000 0.484 1022 R N 1.859 122.447 120.500 0.146 0.000 2.439 1022 R HA 0.612 4.952 4.340 0.000 0.000 0.310 1022 R C -1.816 174.604 176.300 0.200 0.000 0.955 1022 R CA -0.250 55.947 56.100 0.161 0.000 0.853 1022 R CB 1.442 31.823 30.300 0.135 0.000 1.171 1022 R HN 0.513 nan 8.270 nan 0.000 0.449 1023 V N 5.436 125.477 119.914 0.212 0.000 2.604 1023 V HA 0.422 4.543 4.120 0.000 0.000 0.305 1023 V C -0.818 175.404 176.094 0.214 0.000 1.043 1023 V CA -1.007 61.412 62.300 0.198 0.000 0.888 1023 V CB 1.768 33.669 31.823 0.130 0.000 0.995 1023 V HN 0.615 nan 8.190 nan 0.000 0.429 1024 L N 5.863 127.187 121.223 0.169 0.000 2.295 1024 L HA 0.678 5.018 4.340 0.000 0.000 0.285 1024 L C -0.693 176.213 176.870 0.060 0.000 1.035 1024 L CA 0.254 55.090 54.840 -0.006 0.000 0.806 1024 L CB 1.000 43.017 42.059 -0.070 0.000 1.214 1024 L HN 0.555 nan 8.230 nan 0.000 0.426 1025 I N 4.555 125.150 120.570 0.043 0.000 2.436 1025 I HA 0.462 4.632 4.170 0.000 0.000 0.289 1025 I C -0.109 176.081 176.117 0.122 0.000 1.010 1025 I CA -0.405 60.950 61.300 0.091 0.000 1.098 1025 I CB 2.025 40.087 38.000 0.103 0.000 1.266 1025 I HN 0.739 nan 8.210 nan 0.000 0.434 1026 T N 1.817 116.458 114.554 0.145 0.000 2.930 1026 T HA 0.936 5.286 4.350 0.000 0.000 0.290 1026 T C -0.185 174.617 174.700 0.171 0.000 1.052 1026 T CA -0.709 61.487 62.100 0.160 0.000 1.017 1026 T CB 2.418 71.409 68.868 0.205 0.000 1.137 1026 T HN 0.783 nan 8.240 nan 0.000 0.511 1027 G N -0.719 108.192 108.800 0.184 0.000 2.731 1027 G HA2 0.424 4.384 3.960 0.000 0.000 0.309 1027 G HA3 0.424 4.384 3.960 0.000 0.000 0.309 1027 G C -0.082 175.004 174.900 0.310 0.000 1.273 1027 G CA -0.838 44.398 45.100 0.226 0.000 0.798 1027 G HN 0.748 nan 8.290 nan 0.000 0.509 1028 Y N 0.601 121.006 120.300 0.175 0.000 2.128 1028 Y HA -0.061 4.489 4.550 0.000 0.000 0.284 1028 Y C 1.410 177.391 175.900 0.136 0.000 1.154 1028 Y CA 1.536 59.730 58.100 0.157 0.000 1.149 1028 Y CB 0.290 38.889 38.460 0.232 0.000 0.976 1028 Y HN 0.656 nan 8.280 nan 0.000 0.505 1029 D N -4.588 116.049 120.400 0.396 0.000 2.812 1029 D HA 0.059 4.699 4.640 0.000 0.000 0.318 1029 D C 0.045 176.438 176.300 0.155 0.000 1.234 1029 D CA -0.743 53.348 54.000 0.151 0.000 0.989 1029 D CB -0.344 40.589 40.800 0.222 0.000 1.442 1029 D HN -0.031 nan 8.370 nan 0.000 0.537 1030 Y N -1.254 119.181 120.300 0.226 0.000 2.224 1030 Y HA -0.184 4.366 4.550 0.000 0.000 0.289 1030 Y C 2.173 178.296 175.900 0.371 0.000 1.146 1030 Y CA 1.250 59.510 58.100 0.267 0.000 1.182 1030 Y CB -0.311 38.263 38.460 0.189 0.000 0.983 1030 Y HN 0.485 nan 8.280 nan 0.000 0.524 1031 Y N -0.719 119.737 120.300 0.260 0.000 2.070 1031 Y HA -0.327 4.223 4.550 0.000 0.000 0.280 1031 Y C 1.838 177.786 175.900 0.080 0.000 1.148 1031 Y CA 1.444 59.577 58.100 0.056 0.000 1.125 1031 Y CB -0.941 37.356 38.460 -0.271 0.000 0.975 1031 Y HN 0.117 nan 8.280 nan 0.000 0.492 1032 W N -0.039 121.363 121.300 0.170 0.000 2.363 1032 W HA -0.136 4.524 4.660 -0.000 0.000 0.296 1032 W C 2.685 179.223 176.519 0.030 0.000 1.212 1032 W CA 1.393 58.740 57.345 0.003 0.000 1.260 1032 W CB -0.602 28.899 29.460 0.068 0.000 1.131 1032 W HN 0.187 nan 8.180 nan 0.000 0.530 1033 A N -0.601 122.438 122.820 0.366 0.000 1.898 1033 A HA -0.224 4.096 4.320 0.000 0.000 0.216 1033 A C 1.561 179.328 177.584 0.304 0.000 1.181 1033 A CA 1.413 53.657 52.037 0.345 0.000 0.620 1033 A CB -1.395 17.856 19.000 0.419 0.000 0.819 1033 A HN 0.512 nan 8.150 nan 0.000 0.442 1034 W N 0.723 122.115 121.300 0.153 0.000 2.358 1034 W HA -0.173 4.487 4.660 0.000 0.000 0.303 1034 W C 1.905 178.302 176.519 -0.203 0.000 1.208 1034 W CA 2.154 59.414 57.345 -0.143 0.000 1.274 1034 W CB -0.359 28.994 29.460 -0.178 0.000 1.138 1034 W HN 0.099 nan 8.180 nan 0.000 0.515 1035 V N 1.583 121.375 119.914 -0.204 0.000 2.282 1035 V HA -0.380 3.740 4.120 0.000 0.000 0.249 1035 V C 2.504 178.382 176.094 -0.360 0.000 1.057 1035 V CA 2.532 64.608 62.300 -0.373 0.000 1.032 1035 V CB -1.803 29.888 31.823 -0.221 0.000 0.645 1035 V HN 0.370 nan 8.190 nan 0.000 0.447 1036 A N -0.394 122.317 122.820 -0.183 0.000 1.873 1036 A HA -0.031 4.289 4.320 0.000 0.000 0.215 1036 A C 2.420 179.876 177.584 -0.214 0.000 1.186 1036 A CA 1.936 53.885 52.037 -0.148 0.000 0.616 1036 A CB -0.835 18.139 19.000 -0.044 0.000 0.823 1036 A HN 0.583 nan 8.150 nan 0.000 0.442 1037 A N 0.352 123.028 122.820 -0.241 0.000 1.902 1037 A HA -0.236 4.084 4.320 0.000 0.000 0.217 1037 A C 1.960 179.310 177.584 -0.390 0.000 1.181 1037 A CA 2.215 54.102 52.037 -0.250 0.000 0.623 1037 A CB -0.807 18.065 19.000 -0.213 0.000 0.818 1037 A HN 0.653 nan 8.150 nan 0.000 0.443 1038 N N -0.286 117.987 118.700 -0.712 0.000 2.084 1038 N HA -0.204 4.536 4.740 0.000 0.000 0.190 1038 N C 1.719 176.972 175.510 -0.428 0.000 1.030 1038 N CA 1.936 54.529 53.050 -0.762 0.000 0.849 1038 N CB -0.255 37.316 38.487 -1.528 0.000 1.012 1038 N HN 0.481 nan 8.380 nan 0.000 0.423 1039 E N -0.041 119.932 120.200 -0.377 0.000 2.072 1039 E HA -0.009 4.341 4.350 0.000 0.000 0.191 1039 E C 1.766 178.276 176.600 -0.150 0.000 0.985 1039 E CA 1.438 57.707 56.400 -0.218 0.000 0.801 1039 E CB -0.594 28.998 29.700 -0.180 0.000 0.750 1039 E HN 0.441 nan 8.360 nan 0.000 0.452 1040 A N -0.285 122.442 122.820 -0.154 0.000 1.969 1040 A HA -0.125 4.195 4.320 0.000 0.000 0.218 1040 A C 2.276 179.808 177.584 -0.086 0.000 1.169 1040 A CA 2.048 54.023 52.037 -0.104 0.000 0.635 1040 A CB -0.907 18.039 19.000 -0.090 0.000 0.810 1040 A HN 0.437 nan 8.150 nan 0.000 0.445 1041 T N -2.876 111.614 114.554 -0.107 0.000 3.122 1041 T HA 0.415 4.765 4.350 0.000 0.000 0.250 1041 T C 0.922 175.583 174.700 -0.065 0.000 1.067 1041 T CA 0.299 62.351 62.100 -0.080 0.000 0.966 1041 T CB -0.093 68.728 68.868 -0.078 0.000 1.002 1041 T HN 0.406 nan 8.240 nan 0.000 0.542 1042 G N 0.785 109.552 108.800 -0.055 0.000 2.616 1042 G HA2 0.385 4.345 3.960 0.000 0.000 0.268 1042 G HA3 0.385 4.345 3.960 0.000 0.000 0.268 1042 G C -0.077 174.877 174.900 0.091 0.000 1.213 1042 G CA -0.810 44.289 45.100 -0.002 0.000 0.926 1042 G HN 0.357 nan 8.290 nan 0.000 0.523 1043 F N -0.625 119.274 119.950 -0.085 0.000 2.907 1043 F HA -0.159 4.368 4.527 0.000 0.000 0.244 1043 F C 0.706 176.451 175.800 -0.091 0.000 1.007 1043 F CA 0.681 58.631 58.000 -0.083 0.000 0.872 1043 F CB -1.000 37.961 39.000 -0.066 0.000 0.767 1043 F HN 0.912 nan 8.300 nan 0.000 0.837 1044 G N 0.929 109.706 108.800 -0.039 0.000 4.613 1044 G HA2 0.369 4.329 3.960 0.000 0.000 0.232 1044 G HA3 0.369 4.329 3.960 0.000 0.000 0.232 1044 G C 0.639 175.434 174.900 -0.176 0.000 0.947 1044 G CA 0.256 45.263 45.100 -0.156 0.000 0.715 1044 G HN 0.714 nan 8.290 nan 0.000 0.518 1045 T N -3.024 111.372 114.554 -0.263 0.000 2.983 1045 T HA 0.383 4.733 4.350 0.000 0.000 0.250 1045 T C 1.106 175.504 174.700 -0.503 0.000 1.037 1045 T CA 0.801 62.573 62.100 -0.546 0.000 1.142 1045 T CB 0.528 68.849 68.868 -0.911 0.000 0.876 1045 T HN 0.669 nan 8.240 nan 0.000 0.455 1046 S N 0.145 115.663 115.700 -0.303 0.000 2.541 1046 S HA 0.458 4.928 4.470 0.000 0.000 0.271 1046 S C 0.650 175.183 174.600 -0.113 0.000 1.133 1046 S CA -0.311 57.812 58.200 -0.129 0.000 0.876 1046 S CB 1.914 65.093 63.200 -0.035 0.000 1.105 1046 S HN 0.560 nan 8.310 nan 0.000 0.470 1047 V N 3.913 123.770 119.914 -0.095 0.000 3.444 1047 V HA 0.081 4.201 4.120 0.000 0.000 0.271 1047 V C 1.839 177.866 176.094 -0.111 0.000 1.188 1047 V CA 1.424 63.641 62.300 -0.139 0.000 1.168 1047 V CB -1.684 30.032 31.823 -0.180 0.000 0.810 1047 V HN 0.833 nan 8.190 nan 0.000 0.500 1048 I N -3.393 117.138 120.570 -0.065 0.000 2.315 1048 I HA 0.010 4.180 4.170 0.000 0.000 0.248 1048 I C 1.990 178.092 176.117 -0.026 0.000 1.117 1048 I CA 1.690 62.967 61.300 -0.039 0.000 1.404 1048 I CB -0.233 37.767 38.000 -0.001 0.000 1.071 1048 I HN 0.270 nan 8.210 nan 0.000 0.419 1049 M N 0.055 119.640 119.600 -0.024 0.000 2.204 1049 M HA 0.270 4.750 4.480 0.000 0.000 0.407 1049 M C -0.472 175.826 176.300 -0.005 0.000 0.920 1049 M CA -0.187 55.119 55.300 0.010 0.000 1.037 1049 M CB 0.560 33.196 32.600 0.059 0.000 2.010 1049 M HN 0.231 nan 8.290 nan 0.000 0.674 1050 C N 0.998 120.219 119.300 -0.131 0.000 2.397 1050 C HA 0.423 4.883 4.460 0.000 0.000 0.343 1050 C C -0.858 173.888 174.990 -0.406 0.000 1.188 1050 C CA -0.672 58.103 59.018 -0.404 0.000 1.992 1050 C CB 1.535 29.054 27.740 -0.367 0.000 2.358 1050 C HN 0.243 nan 8.230 nan 0.000 0.518 1051 P HA 0.048 nan 4.420 nan 0.000 0.225 1051 P C 0.075 177.288 177.300 -0.146 0.000 1.148 1051 P CA 1.308 64.227 63.100 -0.301 0.000 0.779 1051 P CB 0.241 31.733 31.700 -0.347 0.000 0.780 1052 A N -1.803 120.893 122.820 -0.208 0.000 2.483 1052 A HA 0.441 4.761 4.320 0.000 0.000 0.294 1052 A C -1.633 175.870 177.584 -0.135 0.000 1.077 1052 A CA -0.678 51.298 52.037 -0.100 0.000 0.633 1052 A CB 0.513 19.495 19.000 -0.030 0.000 1.318 1052 A HN -0.144 nan 8.150 nan 0.000 0.455 1053 E N -0.354 119.799 120.200 -0.079 0.000 2.145 1053 E HA 0.642 4.992 4.350 0.000 0.000 0.270 1053 E C -0.274 176.307 176.600 -0.032 0.000 0.906 1053 E CA -0.264 56.096 56.400 -0.065 0.000 0.761 1053 E CB 1.925 31.607 29.700 -0.030 0.000 1.116 1053 E HN 1.099 nan 8.360 nan 0.000 0.408 1054 A N 2.303 125.101 122.820 -0.037 0.000 2.583 1054 A HA 0.998 5.318 4.320 0.000 0.000 0.289 1054 A C -0.589 176.993 177.584 -0.004 0.000 1.151 1054 A CA -0.219 51.809 52.037 -0.014 0.000 0.695 1054 A CB 2.084 21.066 19.000 -0.030 0.000 1.290 1054 A HN 0.666 nan 8.150 nan 0.000 0.419 1055 G N -1.072 107.734 108.800 0.009 0.000 2.338 1055 G HA2 0.490 4.450 3.960 0.000 0.000 0.295 1055 G HA3 0.490 4.450 3.960 0.000 0.000 0.295 1055 G C -1.480 173.438 174.900 0.031 0.000 1.461 1055 G CA -0.738 44.371 45.100 0.014 0.000 0.817 1055 G HN 0.795 nan 8.290 nan 0.000 0.556 1056 I N 1.358 121.944 120.570 0.025 0.000 2.337 1056 I HA 0.175 4.345 4.170 0.000 0.000 0.291 1056 I C 1.393 177.581 176.117 0.119 0.000 1.046 1056 I CA -0.201 61.131 61.300 0.053 0.000 1.324 1056 I CB 1.681 39.667 38.000 -0.023 0.000 1.409 1056 I HN 0.880 nan 8.210 nan 0.000 0.494 1057 E N 6.760 127.064 120.200 0.174 0.000 2.011 1057 E HA -0.046 4.304 4.350 0.000 0.000 0.191 1057 E C -0.141 176.586 176.600 0.212 0.000 0.979 1057 E CA 1.152 57.658 56.400 0.176 0.000 0.822 1057 E CB 0.428 30.236 29.700 0.181 0.000 0.782 1057 E HN 0.601 nan 8.360 nan 0.000 0.459 1058 I N -2.587 118.168 120.570 0.309 0.000 3.149 1058 I HA 0.328 4.498 4.170 0.000 0.000 0.310 1058 I C -0.968 175.385 176.117 0.395 0.000 1.343 1058 I CA -1.082 60.404 61.300 0.310 0.000 0.955 1058 I CB 1.381 39.500 38.000 0.198 0.000 1.309 1058 I HN -0.249 nan 8.210 nan 0.000 0.478 1059 K N 1.278 121.811 120.400 0.222 0.000 2.380 1059 K HA 0.647 4.967 4.320 0.000 0.000 0.267 1059 K C -0.488 176.143 176.600 0.051 0.000 0.990 1059 K CA -0.053 56.166 56.287 -0.115 0.000 0.946 1059 K CB 0.770 33.106 32.500 -0.274 0.000 0.937 1059 K HN 0.851 nan 8.250 nan 0.000 0.491 1060 A N 3.771 126.585 122.820 -0.010 0.000 2.323 1060 A HA 0.248 4.568 4.320 0.000 0.000 0.305 1060 A C -0.740 176.921 177.584 0.130 0.000 1.275 1060 A CA -0.807 51.290 52.037 0.099 0.000 0.804 1060 A CB 0.419 19.342 19.000 -0.130 0.000 1.152 1060 A HN 0.652 nan 8.150 nan 0.000 0.487 1061 K N 3.047 123.536 120.400 0.148 0.000 2.355 1061 K HA 0.169 4.489 4.320 0.000 0.000 0.270 1061 K C -1.768 174.871 176.600 0.066 0.000 1.003 1061 K CA -1.402 54.975 56.287 0.149 0.000 0.957 1061 K CB 0.727 33.297 32.500 0.117 0.000 0.939 1061 K HN 0.291 nan 8.250 nan 0.000 0.482 1062 P HA -0.252 nan 4.420 nan 0.000 0.217 1062 P C 1.071 178.368 177.300 -0.004 0.000 1.151 1062 P CA 1.472 64.563 63.100 -0.015 0.000 0.849 1062 P CB 0.135 31.816 31.700 -0.032 0.000 0.787 1063 S N -1.001 114.707 115.700 0.014 0.000 2.507 1063 S HA -0.119 4.351 4.470 0.000 0.000 0.235 1063 S C 1.415 176.023 174.600 0.014 0.000 0.988 1063 S CA 0.895 59.102 58.200 0.010 0.000 0.944 1063 S CB -0.957 62.254 63.200 0.018 0.000 0.762 1063 S HN 0.324 nan 8.310 nan 0.000 0.526 1064 E N 1.372 121.591 120.200 0.030 0.000 2.476 1064 E HA 0.096 4.446 4.350 0.000 0.000 0.199 1064 E C 0.434 177.050 176.600 0.028 0.000 1.021 1064 E CA 0.377 56.807 56.400 0.052 0.000 0.907 1064 E CB 0.441 30.212 29.700 0.118 0.000 0.974 1064 E HN 0.685 nan 8.360 nan 0.000 0.489 1065 T N -1.303 113.235 114.554 -0.027 0.000 2.907 1065 T HA 0.229 4.579 4.350 0.000 0.000 0.284 1065 T C -2.102 172.472 174.700 -0.210 0.000 1.004 1065 T CA -2.141 59.893 62.100 -0.110 0.000 1.063 1065 T CB 1.745 70.557 68.868 -0.094 0.000 0.992 1065 T HN -0.320 nan 8.240 nan 0.000 0.483 1066 P HA -0.083 nan 4.420 nan 0.000 0.218 1066 P C 0.859 177.921 177.300 -0.397 0.000 1.148 1066 P CA 1.114 63.893 63.100 -0.535 0.000 0.822 1066 P CB 0.027 31.064 31.700 -1.104 0.000 0.784 1067 D N -2.818 117.374 120.400 -0.346 0.000 2.369 1067 D HA 0.145 4.785 4.640 0.000 0.000 0.211 1067 D C 1.307 177.581 176.300 -0.043 0.000 1.077 1067 D CA 0.366 54.309 54.000 -0.095 0.000 0.842 1067 D CB -0.857 40.002 40.800 0.099 0.000 0.947 1067 D HN 0.161 nan 8.370 nan 0.000 0.509 1068 G N 0.665 109.425 108.800 -0.067 0.000 2.153 1068 G HA2 -0.336 3.624 3.960 0.000 0.000 0.252 1068 G HA3 -0.336 3.624 3.960 0.000 0.000 0.252 1068 G C 0.046 174.931 174.900 -0.026 0.000 0.994 1068 G CA 0.271 45.347 45.100 -0.040 0.000 0.698 1068 G HN 0.554 nan 8.290 nan 0.000 0.521 1069 R N 0.370 120.863 120.500 -0.011 0.000 2.832 1069 R HA 0.662 5.002 4.340 0.000 0.000 0.271 1069 R C -2.470 173.799 176.300 -0.052 0.000 0.996 1069 R CA -2.183 53.908 56.100 -0.014 0.000 0.977 1069 R CB 1.538 31.865 30.300 0.046 0.000 1.168 1069 R HN 0.104 nan 8.270 nan 0.000 0.482 1070 P HA 0.129 nan 4.420 nan 0.000 0.270 1070 P C -0.405 176.823 177.300 -0.120 0.000 1.223 1070 P CA 0.089 63.006 63.100 -0.306 0.000 0.785 1070 P CB 0.973 32.114 31.700 -0.932 0.000 0.923 1071 G N 0.075 108.847 108.800 -0.047 0.000 2.561 1071 G HA2 0.559 4.519 3.960 0.000 0.000 0.310 1071 G HA3 0.559 4.519 3.960 0.000 0.000 0.310 1071 G C -2.362 172.460 174.900 -0.130 0.000 1.292 1071 G CA -0.515 44.592 45.100 0.012 0.000 0.811 1071 G HN 0.392 nan 8.290 nan 0.000 0.482 1072 Y N -1.074 119.265 120.300 0.065 0.000 2.504 1072 Y HA 0.566 5.116 4.550 0.000 0.000 0.344 1072 Y C -0.990 174.887 175.900 -0.038 0.000 1.023 1072 Y CA -0.652 57.491 58.100 0.072 0.000 1.020 1072 Y CB 2.390 40.934 38.460 0.140 0.000 1.282 1072 Y HN 0.533 nan 8.280 nan 0.000 0.454 1073 Y N 4.115 124.584 120.300 0.281 0.000 2.310 1073 Y HA 0.607 5.157 4.550 0.000 0.000 0.326 1073 Y C 0.331 176.335 175.900 0.174 0.000 1.151 1073 Y CA -0.701 57.515 58.100 0.193 0.000 1.195 1073 Y CB 1.054 39.602 38.460 0.147 0.000 1.210 1073 Y HN 0.405 nan 8.280 nan 0.000 0.483 1074 I N -0.610 120.126 120.570 0.276 0.000 2.934 1074 I HA 0.657 4.827 4.170 0.000 0.000 0.306 1074 I C -1.404 174.802 176.117 0.150 0.000 1.110 1074 I CA -1.235 60.167 61.300 0.170 0.000 1.019 1074 I CB 2.493 40.548 38.000 0.092 0.000 1.227 1074 I HN 0.464 nan 8.210 nan 0.000 0.434 1075 Q N 3.576 123.439 119.800 0.105 0.000 2.365 1075 Q HA 0.701 5.041 4.340 0.000 0.000 0.269 1075 Q C -1.388 174.649 176.000 0.061 0.000 1.061 1075 Q CA -0.778 55.079 55.803 0.090 0.000 0.816 1075 Q CB 3.395 32.183 28.738 0.084 0.000 1.325 1075 Q HN 0.590 nan 8.270 nan 0.000 0.446 1076 I N 1.773 122.378 120.570 0.058 0.000 2.478 1076 I HA 0.441 4.611 4.170 0.000 0.000 0.287 1076 I C -0.894 175.252 176.117 0.048 0.000 1.042 1076 I CA -0.750 60.571 61.300 0.036 0.000 1.067 1076 I CB 1.501 39.514 38.000 0.022 0.000 1.233 1076 I HN 0.639 nan 8.210 nan 0.000 0.431 1077 C N 4.037 123.363 119.300 0.043 0.000 2.614 1077 C HA 0.786 5.246 4.460 0.000 0.000 0.320 1077 C C -0.290 174.751 174.990 0.086 0.000 1.200 1077 C CA -0.844 58.210 59.018 0.060 0.000 1.700 1077 C CB 1.133 28.901 27.740 0.046 0.000 2.275 1077 C HN 0.818 nan 8.230 nan 0.000 0.492 1078 H N 0.321 119.376 119.070 -0.025 0.000 3.064 1078 H HA 0.354 4.910 4.556 0.000 0.000 0.352 1078 H C 0.506 175.820 175.328 -0.023 0.000 1.260 1078 H CA -0.718 55.306 56.048 -0.041 0.000 1.160 1078 H CB 1.020 30.742 29.762 -0.067 0.000 1.879 1078 H HN 0.464 nan 8.280 nan 0.000 0.544 1079 M N 0.859 120.343 119.600 -0.194 0.000 2.229 1079 M HA -0.011 4.469 4.480 0.000 0.000 0.264 1079 M C 0.785 177.156 176.300 0.118 0.000 1.063 1079 M CA 0.931 56.209 55.300 -0.036 0.000 1.114 1079 M CB -1.011 31.509 32.600 -0.133 0.000 1.387 1079 M HN 0.554 nan 8.290 nan 0.000 0.420 1080 S N -0.540 115.357 115.700 0.329 0.000 2.664 1080 S HA 0.403 4.873 4.470 0.000 0.000 0.304 1080 S C 0.763 175.385 174.600 0.037 0.000 1.099 1080 S CA -0.887 57.411 58.200 0.164 0.000 1.003 1080 S CB 2.558 65.835 63.200 0.127 0.000 1.092 1080 S HN 0.152 nan 8.310 nan 0.000 0.525 1081 K N 0.901 121.277 120.400 -0.039 0.000 2.025 1081 K HA -0.022 4.298 4.320 0.000 0.000 0.207 1081 K C 1.994 178.467 176.600 -0.211 0.000 1.049 1081 K CA 1.218 57.405 56.287 -0.167 0.000 0.933 1081 K CB -0.246 32.198 32.500 -0.092 0.000 0.714 1081 K HN 0.557 nan 8.250 nan 0.000 0.438 1082 K N 0.211 120.523 120.400 -0.145 0.000 2.057 1082 K HA -0.118 4.202 4.320 0.000 0.000 0.207 1082 K C 2.306 178.747 176.600 -0.266 0.000 1.049 1082 K CA 1.438 57.629 56.287 -0.159 0.000 0.931 1082 K CB -0.301 32.139 32.500 -0.100 0.000 0.714 1082 K HN 0.282 nan 8.250 nan 0.000 0.440 1083 G N 1.441 109.993 108.800 -0.412 0.000 2.422 1083 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 1083 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 1083 G C 1.434 175.818 174.900 -0.860 0.000 1.146 1083 G CA 0.426 44.961 45.100 -0.941 0.000 0.769 1083 G HN 0.155 nan 8.290 nan 0.000 0.547 1084 L N 0.544 121.444 121.223 -0.538 0.000 2.072 1084 L HA 0.142 4.482 4.340 0.000 0.000 0.205 1084 L C 2.525 179.251 176.870 -0.240 0.000 1.079 1084 L CA 2.368 57.035 54.840 -0.288 0.000 0.752 1084 L CB -0.577 41.347 42.059 -0.224 0.000 0.906 1084 L HN 0.392 nan 8.230 nan 0.000 0.436 1085 E N -0.539 119.509 120.200 -0.254 0.000 2.085 1085 E HA -0.301 4.049 4.350 0.000 0.000 0.194 1085 E C 2.076 178.596 176.600 -0.133 0.000 0.994 1085 E CA 1.524 57.821 56.400 -0.171 0.000 0.801 1085 E CB -0.102 29.510 29.700 -0.148 0.000 0.743 1085 E HN 0.676 nan 8.360 nan 0.000 0.453 1086 E N -0.361 119.737 120.200 -0.169 0.000 2.077 1086 E HA -0.207 4.143 4.350 0.000 0.000 0.193 1086 E C 2.240 178.766 176.600 -0.123 0.000 0.989 1086 E CA 1.015 57.330 56.400 -0.141 0.000 0.800 1086 E CB 0.160 29.757 29.700 -0.172 0.000 0.746 1086 E HN 0.228 nan 8.360 nan 0.000 0.452 1087 Q N 0.051 119.761 119.800 -0.149 0.000 2.167 1087 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 1087 Q C 2.350 178.308 176.000 -0.070 0.000 0.970 1087 Q CA 0.777 56.518 55.803 -0.103 0.000 0.855 1087 Q CB -0.077 28.607 28.738 -0.090 0.000 0.911 1087 Q HN 0.389 nan 8.270 nan 0.000 0.438 1088 L N -0.301 120.884 121.223 -0.064 0.000 2.027 1088 L HA -0.190 4.150 4.340 0.000 0.000 0.206 1088 L C 2.082 178.939 176.870 -0.022 0.000 1.074 1088 L CA 0.566 55.389 54.840 -0.028 0.000 0.745 1088 L CB -0.398 41.652 42.059 -0.014 0.000 0.898 1088 L HN 0.192 nan 8.230 nan 0.000 0.433 1089 L N -0.317 120.888 121.223 -0.030 0.000 2.093 1089 L HA -0.122 4.218 4.340 0.000 0.000 0.208 1089 L C 2.667 179.512 176.870 -0.042 0.000 1.085 1089 L CA 2.003 56.828 54.840 -0.024 0.000 0.755 1089 L CB -1.423 40.621 42.059 -0.025 0.000 0.904 1089 L HN 0.177 nan 8.230 nan 0.000 0.435 1090 A N -0.830 121.958 122.820 -0.053 0.000 1.874 1090 A HA -0.143 4.177 4.320 0.000 0.000 0.214 1090 A C 2.469 180.016 177.584 -0.061 0.000 1.189 1090 A CA 1.119 53.121 52.037 -0.058 0.000 0.615 1090 A CB -0.325 18.640 19.000 -0.057 0.000 0.830 1090 A HN 0.304 nan 8.150 nan 0.000 0.443 1091 R N -0.454 120.012 120.500 -0.057 0.000 2.075 1091 R HA 0.058 4.398 4.340 0.000 0.000 0.232 1091 R C 2.043 178.306 176.300 -0.062 0.000 1.126 1091 R CA 1.360 57.425 56.100 -0.057 0.000 0.963 1091 R CB -0.409 29.860 30.300 -0.051 0.000 0.858 1091 R HN 0.478 nan 8.270 nan 0.000 0.435 1092 L N -0.871 120.325 121.223 -0.044 0.000 2.072 1092 L HA 0.007 4.347 4.340 0.000 0.000 0.205 1092 L C 2.536 179.357 176.870 -0.083 0.000 1.079 1092 L CA 1.253 56.073 54.840 -0.032 0.000 0.752 1092 L CB -0.722 41.352 42.059 0.024 0.000 0.906 1092 L HN 0.356 nan 8.230 nan 0.000 0.436 1093 G N -0.921 107.826 108.800 -0.089 0.000 2.408 1093 G HA2 -0.199 3.761 3.960 0.000 0.000 0.217 1093 G HA3 -0.199 3.761 3.960 0.000 0.000 0.217 1093 G C 1.583 176.351 174.900 -0.221 0.000 1.150 1093 G CA 0.285 45.290 45.100 -0.158 0.000 0.776 1093 G HN 0.254 nan 8.290 nan 0.000 0.542 1094 Q N -0.707 118.998 119.800 -0.159 0.000 2.339 1094 Q HA 0.067 4.407 4.340 0.000 0.000 0.205 1094 Q C 2.278 178.187 176.000 -0.151 0.000 0.925 1094 Q CA 0.658 56.370 55.803 -0.152 0.000 0.898 1094 Q CB 0.248 28.927 28.738 -0.098 0.000 1.013 1094 Q HN 0.560 nan 8.270 nan 0.000 0.504 1095 C N -0.970 118.246 119.300 -0.139 0.000 3.228 1095 C HA 0.298 4.758 4.460 0.000 0.000 0.290 1095 C C 2.188 177.089 174.990 -0.149 0.000 1.301 1095 C CA -0.302 58.637 59.018 -0.131 0.000 1.703 1095 C CB 0.100 27.777 27.740 -0.104 0.000 2.141 1095 C HN 0.119 nan 8.230 nan 0.000 0.656 1096 V N 0.294 120.103 119.914 -0.175 0.000 3.090 1096 V HA 0.111 4.231 4.120 0.000 0.000 0.237 1096 V C 1.909 177.767 176.094 -0.393 0.000 1.209 1096 V CA 0.551 62.748 62.300 -0.172 0.000 1.209 1096 V CB -0.419 31.374 31.823 -0.049 0.000 0.971 1096 V HN 0.453 nan 8.190 nan 0.000 0.477 1097 L N 1.405 122.264 121.223 -0.605 0.000 2.353 1097 L HA -0.117 4.223 4.340 0.000 0.000 0.220 1097 L C 2.190 178.570 176.870 -0.816 0.000 1.133 1097 L CA 2.118 56.186 54.840 -1.287 0.000 0.798 1097 L CB -0.148 41.327 42.059 -0.973 0.000 0.922 1097 L HN 0.622 nan 8.230 nan 0.000 0.445 1098 T N -3.123 111.141 114.554 -0.483 0.000 3.044 1098 T HA 0.383 4.733 4.350 0.000 0.000 0.250 1098 T C 0.823 175.383 174.700 -0.233 0.000 1.081 1098 T CA 0.176 62.082 62.100 -0.323 0.000 1.040 1098 T CB -0.058 68.667 68.868 -0.239 0.000 0.962 1098 T HN 0.302 nan 8.240 nan 0.000 0.506 1099 A N 2.685 125.370 122.820 -0.225 0.000 2.340 1099 A HA 0.644 4.964 4.320 0.000 0.000 0.268 1099 A C -2.579 174.909 177.584 -0.160 0.000 1.100 1099 A CA -1.781 50.174 52.037 -0.138 0.000 0.803 1099 A CB -0.032 18.915 19.000 -0.087 0.000 1.043 1099 A HN 0.210 nan 8.150 nan 0.000 0.488 1100 P HA 0.113 nan 4.420 nan 0.000 0.265 1100 P C 0.763 177.838 177.300 -0.375 0.000 1.193 1100 P CA 1.639 64.519 63.100 -0.368 0.000 0.765 1100 P CB 0.467 31.759 31.700 -0.681 0.000 0.823 1101 T N -1.099 113.226 114.554 -0.382 0.000 8.089 1101 T HA -0.235 4.115 4.350 0.000 0.000 0.315 1101 T C 0.430 175.109 174.700 -0.035 0.000 2.025 1101 T CA 1.689 63.609 62.100 -0.301 0.000 3.021 1101 T CB -2.853 65.583 68.868 -0.719 0.000 2.356 1101 T HN 0.653 nan 8.240 nan 0.000 1.220 1102 T N -0.479 114.088 114.554 0.022 0.000 2.788 1102 T HA 0.729 5.079 4.350 0.000 0.000 0.287 1102 T C 0.181 175.020 174.700 0.232 0.000 1.007 1102 T CA -0.213 61.966 62.100 0.132 0.000 1.005 1102 T CB 1.613 70.556 68.868 0.125 0.000 1.012 1102 T HN 1.825 nan 8.240 nan 0.000 0.530 1103 A N 0.472 123.368 122.820 0.127 0.000 2.574 1103 A HA 0.724 5.044 4.320 0.000 0.000 0.297 1103 A C -0.504 176.894 177.584 -0.309 0.000 1.062 1103 A CA -0.545 51.391 52.037 -0.169 0.000 0.686 1103 A CB 1.726 20.609 19.000 -0.195 0.000 1.285 1103 A HN 1.966 nan 8.150 nan 0.000 0.403 1104 V N -0.210 119.327 119.914 -0.629 0.000 2.656 1104 V HA 0.970 5.090 4.120 0.000 0.000 0.307 1104 V C -1.328 174.340 176.094 -0.710 0.000 1.051 1104 V CA -0.811 61.226 62.300 -0.439 0.000 0.893 1104 V CB 1.081 32.849 31.823 -0.092 0.000 0.999 1104 V HN 0.781 nan 8.190 nan 0.000 0.426 1105 F N 2.236 122.196 119.950 0.017 0.000 2.631 1105 F HA 0.544 5.071 4.527 0.000 0.000 0.328 1105 F C 0.439 176.283 175.800 0.074 0.000 1.067 1105 F CA -0.932 57.087 58.000 0.031 0.000 0.969 1105 F CB 1.506 40.518 39.000 0.020 0.000 1.332 1105 F HN 0.605 nan 8.300 nan 0.000 0.490 1106 N N 0.757 119.636 118.700 0.298 0.000 2.431 1106 N HA 0.075 4.815 4.740 0.000 0.000 0.265 1106 N C 0.724 176.383 175.510 0.249 0.000 1.184 1106 N CA 0.255 53.438 53.050 0.221 0.000 0.943 1106 N CB 1.492 40.085 38.487 0.176 0.000 1.080 1106 N HN 0.843 nan 8.380 nan 0.000 0.477 1107 G N 3.039 111.996 108.800 0.262 0.000 2.813 1107 G HA2 0.083 4.043 3.960 0.000 0.000 0.209 1107 G HA3 0.083 4.043 3.960 0.000 0.000 0.209 1107 G C 0.639 175.650 174.900 0.186 0.000 1.150 1107 G CA 0.108 45.413 45.100 0.341 0.000 0.785 1107 G HN 0.578 nan 8.290 nan 0.000 0.535 1108 L N 1.495 122.799 121.223 0.135 0.000 2.594 1108 L HA 0.246 4.586 4.340 0.000 0.000 0.245 1108 L C -1.393 175.515 176.870 0.063 0.000 1.460 1108 L CA -1.386 53.497 54.840 0.072 0.000 0.865 1108 L CB 2.170 44.265 42.059 0.061 0.000 1.131 1108 L HN -0.038 nan 8.230 nan 0.000 0.506 1109 P HA -0.174 nan 4.420 nan 0.000 0.217 1109 P C 0.316 177.632 177.300 0.027 0.000 1.148 1109 P CA 1.283 64.415 63.100 0.053 0.000 0.828 1109 P CB 0.419 32.150 31.700 0.052 0.000 0.783 1110 D N -0.518 119.889 120.400 0.012 0.000 2.340 1110 D HA 0.195 4.835 4.640 0.000 0.000 0.217 1110 D C 0.850 177.141 176.300 -0.015 0.000 1.081 1110 D CA 0.000 53.999 54.000 -0.002 0.000 0.842 1110 D CB 0.053 40.850 40.800 -0.006 0.000 0.934 1110 D HN 0.144 nan 8.370 nan 0.000 0.511 1111 A N 1.133 123.941 122.820 -0.019 0.000 2.425 1111 A HA 0.041 4.361 4.320 0.000 0.000 0.249 1111 A C 1.473 179.017 177.584 -0.067 0.000 1.084 1111 A CA -0.196 51.808 52.037 -0.054 0.000 0.781 1111 A CB 0.996 19.956 19.000 -0.067 0.000 1.019 1111 A HN -0.063 nan 8.150 nan 0.000 0.490 1112 E N 1.518 121.662 120.200 -0.093 0.000 2.076 1112 E HA -0.079 4.271 4.350 0.000 0.000 0.190 1112 E C 0.042 176.571 176.600 -0.118 0.000 0.979 1112 E CA 0.846 57.196 56.400 -0.083 0.000 0.807 1112 E CB 0.089 29.745 29.700 -0.073 0.000 0.761 1112 E HN 0.822 nan 8.360 nan 0.000 0.454 1113 E N 1.007 121.061 120.200 -0.242 0.000 2.331 1113 E HA 0.293 4.643 4.350 0.000 0.000 0.272 1113 E C -0.411 176.010 176.600 -0.297 0.000 1.036 1113 E CA 0.085 56.264 56.400 -0.367 0.000 0.864 1113 E CB 1.394 30.578 29.700 -0.860 0.000 1.035 1113 E HN 0.007 nan 8.360 nan 0.000 0.408 1114 K N 1.431 121.834 120.400 0.004 0.000 2.533 1114 K HA 0.380 4.700 4.320 0.000 0.000 0.272 1114 K C -1.359 175.424 176.600 0.305 0.000 0.985 1114 K CA -0.869 55.527 56.287 0.181 0.000 0.876 1114 K CB 1.925 34.486 32.500 0.102 0.000 1.452 1114 K HN 0.340 nan 8.250 nan 0.000 0.439 1115 D N 1.393 121.944 120.400 0.252 0.000 2.481 1115 D HA 0.079 4.719 4.640 0.000 0.000 0.244 1115 D C -0.901 175.481 176.300 0.135 0.000 1.057 1115 D CA -0.316 53.779 54.000 0.158 0.000 0.848 1115 D CB 1.761 42.614 40.800 0.088 0.000 1.388 1115 D HN 0.578 nan 8.370 nan 0.000 0.475 1116 D N 0.575 121.047 120.400 0.121 0.000 3.038 1116 D HA -0.063 4.577 4.640 0.000 0.000 0.243 1116 D C 1.369 177.786 176.300 0.195 0.000 1.245 1116 D CA -0.249 53.846 54.000 0.160 0.000 0.871 1116 D CB -0.255 40.623 40.800 0.129 0.000 1.089 1116 D HN 0.297 nan 8.370 nan 0.000 0.464 1117 T N -3.063 111.580 114.554 0.147 0.000 2.699 1117 T HA -0.183 4.167 4.350 0.000 0.000 0.268 1117 T C 2.082 176.868 174.700 0.144 0.000 1.036 1117 T CA 1.421 63.596 62.100 0.124 0.000 1.147 1117 T CB -0.901 68.021 68.868 0.090 0.000 0.862 1117 T HN 0.249 nan 8.240 nan 0.000 0.446 1118 G N 0.308 109.210 108.800 0.170 0.000 2.446 1118 G HA2 -0.129 3.831 3.960 0.000 0.000 0.217 1118 G HA3 -0.129 3.831 3.960 0.000 0.000 0.217 1118 G C 1.279 176.248 174.900 0.115 0.000 1.168 1118 G CA 0.701 45.903 45.100 0.170 0.000 0.771 1118 G HN 0.494 nan 8.290 nan 0.000 0.551 1119 F N 1.614 121.584 119.950 0.033 0.000 2.126 1119 F HA -0.038 4.489 4.527 0.000 0.000 0.299 1119 F C 2.700 178.488 175.800 -0.019 0.000 1.096 1119 F CA 1.909 59.845 58.000 -0.107 0.000 1.255 1119 F CB 0.026 39.067 39.000 0.068 0.000 0.997 1119 F HN 0.056 nan 8.300 nan 0.000 0.479 1120 K N 0.035 120.574 120.400 0.232 0.000 2.007 1120 K HA -0.087 4.233 4.320 0.000 0.000 0.206 1120 K C 2.108 178.816 176.600 0.180 0.000 1.047 1120 K CA 1.569 57.997 56.287 0.235 0.000 0.937 1120 K CB -0.506 32.086 32.500 0.153 0.000 0.718 1120 K HN 0.304 nan 8.250 nan 0.000 0.438 1121 L N 1.643 122.922 121.223 0.094 0.000 2.127 1121 L HA -0.212 4.128 4.340 0.000 0.000 0.211 1121 L C 2.225 179.141 176.870 0.078 0.000 1.089 1121 L CA 1.282 56.174 54.840 0.087 0.000 0.757 1121 L CB -0.614 41.501 42.059 0.093 0.000 0.899 1121 L HN 0.211 nan 8.230 nan 0.000 0.434 1122 K N -0.134 120.203 120.400 -0.105 0.000 2.360 1122 K HA -0.162 4.158 4.320 0.000 0.000 0.201 1122 K C 1.519 177.951 176.600 -0.280 0.000 1.046 1122 K CA 1.494 57.629 56.287 -0.253 0.000 0.945 1122 K CB -0.882 31.193 32.500 -0.708 0.000 0.750 1122 K HN 0.090 nan 8.250 nan 0.000 0.464 1123 F N 0.217 120.027 119.950 -0.234 0.000 2.333 1123 F HA 0.010 4.537 4.527 0.000 0.000 0.300 1123 F C 1.768 177.550 175.800 -0.031 0.000 1.083 1123 F CA 0.785 58.676 58.000 -0.182 0.000 1.395 1123 F CB -0.415 38.478 39.000 -0.178 0.000 1.056 1123 F HN 0.059 nan 8.300 nan 0.000 0.529 1124 F N 0.690 120.673 119.950 0.056 0.000 2.287 1124 F HA -0.232 4.295 4.527 0.000 0.000 0.301 1124 F C 2.183 178.004 175.800 0.034 0.000 1.069 1124 F CA 0.977 59.000 58.000 0.039 0.000 1.372 1124 F CB -0.178 38.837 39.000 0.026 0.000 1.056 1124 F HN -0.067 nan 8.300 nan 0.000 0.523 1125 A N -0.289 122.568 122.820 0.062 0.000 2.168 1125 A HA -0.112 4.208 4.320 0.000 0.000 0.215 1125 A C 1.025 178.626 177.584 0.028 0.000 1.152 1125 A CA 1.043 53.096 52.037 0.027 0.000 0.716 1125 A CB -0.715 18.324 19.000 0.064 0.000 0.794 1125 A HN 0.520 nan 8.150 nan 0.000 0.465 1126 D N -2.991 117.392 120.400 -0.028 0.000 2.689 1126 D HA -0.139 4.501 4.640 0.000 0.000 0.237 1126 D C 0.959 177.226 176.300 -0.055 0.000 1.148 1126 D CA 1.920 55.910 54.000 -0.018 0.000 0.656 1126 D CB -1.469 39.318 40.800 -0.022 0.000 1.050 1126 D HN 1.325 nan 8.370 nan 0.000 0.426 1127 G N -1.107 107.619 108.800 -0.123 0.000 2.213 1127 G HA2 -0.372 3.588 3.960 0.000 0.000 0.226 1127 G HA3 -0.372 3.588 3.960 0.000 0.000 0.226 1127 G C 0.642 175.351 174.900 -0.319 0.000 0.992 1127 G CA 0.178 45.126 45.100 -0.253 0.000 0.632 1127 G HN 0.458 nan 8.290 nan 0.000 0.511 1128 Y N 1.723 121.992 120.300 -0.053 0.000 2.524 1128 Y HA 0.424 4.974 4.550 0.000 0.000 0.266 1128 Y C 1.518 177.421 175.900 0.005 0.000 1.180 1128 Y CA 0.094 58.182 58.100 -0.021 0.000 1.244 1128 Y CB 0.313 38.760 38.460 -0.021 0.000 1.125 1128 Y HN 0.330 nan 8.280 nan 0.000 0.524 1129 Q N 1.137 120.994 119.800 0.094 0.000 2.474 1129 Q HA 0.285 4.625 4.340 0.000 0.000 0.256 1129 Q C -0.593 175.527 176.000 0.200 0.000 1.048 1129 Q CA 0.291 56.173 55.803 0.133 0.000 0.922 1129 Q CB 0.581 29.328 28.738 0.015 0.000 1.288 1129 Q HN 0.177 nan 8.270 nan 0.000 0.484 1130 K N 0.576 121.133 120.400 0.261 0.000 2.525 1130 K HA 0.305 4.625 4.320 0.000 0.000 0.254 1130 K C -1.099 175.547 176.600 0.077 0.000 0.934 1130 K CA -0.626 55.757 56.287 0.160 0.000 0.802 1130 K CB 2.261 34.817 32.500 0.092 0.000 1.295 1130 K HN 0.447 nan 8.250 nan 0.000 0.433 1131 E N 1.600 121.724 120.200 -0.126 0.000 2.331 1131 E HA 0.387 4.737 4.350 0.000 0.000 0.272 1131 E C -0.896 175.560 176.600 -0.240 0.000 1.036 1131 E CA -0.537 55.602 56.400 -0.436 0.000 0.864 1131 E CB 1.514 30.889 29.700 -0.542 0.000 1.035 1131 E HN 0.129 nan 8.360 nan 0.000 0.408 1132 V N 2.529 122.292 119.914 -0.252 0.000 2.969 1132 V HA 0.157 4.277 4.120 0.000 0.000 0.304 1132 V C -0.714 175.307 176.094 -0.122 0.000 1.192 1132 V CA -0.859 61.361 62.300 -0.133 0.000 0.962 1132 V CB 2.161 33.945 31.823 -0.066 0.000 1.045 1132 V HN 0.672 nan 8.190 nan 0.000 0.428 1133 E N 2.443 122.596 120.200 -0.080 0.000 2.175 1133 E HA 0.684 5.034 4.350 0.000 0.000 0.278 1133 E C -1.677 174.913 176.600 -0.017 0.000 0.969 1133 E CA -0.420 55.947 56.400 -0.054 0.000 0.796 1133 E CB 1.897 31.564 29.700 -0.055 0.000 1.104 1133 E HN 0.468 nan 8.360 nan 0.000 0.395 1134 V N 4.251 124.171 119.914 0.011 0.000 2.409 1134 V HA 0.388 4.508 4.120 0.000 0.000 0.290 1134 V C 0.582 176.637 176.094 -0.065 0.000 1.017 1134 V CA -0.004 62.303 62.300 0.012 0.000 0.841 1134 V CB 1.290 33.191 31.823 0.130 0.000 1.003 1134 V HN 1.013 nan 8.190 nan 0.000 0.426 1135 G N 3.715 112.469 108.800 -0.077 0.000 2.305 1135 G HA2 0.043 4.003 3.960 0.000 0.000 0.287 1135 G HA3 0.043 4.003 3.960 0.000 0.000 0.287 1135 G C 1.206 176.057 174.900 -0.082 0.000 1.036 1135 G CA 0.870 45.908 45.100 -0.102 0.000 0.887 1135 G HN 2.300 nan 8.290 nan 0.000 0.505 1136 G N -1.799 106.970 108.800 -0.052 0.000 2.205 1136 G HA2 -0.263 3.697 3.960 0.000 0.000 0.261 1136 G HA3 -0.263 3.697 3.960 0.000 0.000 0.261 1136 G C 0.562 175.448 174.900 -0.023 0.000 0.980 1136 G CA 0.785 45.864 45.100 -0.036 0.000 0.632 1136 G HN 1.000 nan 8.290 nan 0.000 0.533 1137 R N 0.624 121.114 120.500 -0.017 0.000 2.349 1137 R HA 0.406 4.746 4.340 0.000 0.000 0.299 1137 R C 0.335 176.649 176.300 0.024 0.000 1.027 1137 R CA -0.687 55.432 56.100 0.032 0.000 0.958 1137 R CB 1.137 31.495 30.300 0.097 0.000 1.047 1137 R HN 0.386 nan 8.270 nan 0.000 0.468 1138 K N 3.105 123.509 120.400 0.008 0.000 2.310 1138 K HA 0.194 4.514 4.320 0.000 0.000 0.290 1138 K C -0.820 175.730 176.600 -0.083 0.000 1.077 1138 K CA -0.144 56.105 56.287 -0.064 0.000 0.922 1138 K CB 0.232 32.698 32.500 -0.057 0.000 1.057 1138 K HN 0.578 nan 8.250 nan 0.000 0.479 1139 C N 3.320 122.509 119.300 -0.185 0.000 3.235 1139 C HA 0.593 5.053 4.460 0.000 0.000 0.351 1139 C C -1.332 173.390 174.990 -0.446 0.000 1.520 1139 C CA -1.007 57.901 59.018 -0.183 0.000 1.474 1139 C CB 0.590 28.306 27.740 -0.041 0.000 2.019 1139 C HN 0.950 nan 8.230 nan 0.000 0.446 1140 W N 0.144 121.401 121.300 -0.071 0.000 2.915 1140 W HA 0.631 5.291 4.660 0.000 0.000 0.337 1140 W C -0.373 176.080 176.519 -0.111 0.000 1.102 1140 W CA -0.285 57.014 57.345 -0.077 0.000 1.224 1140 W CB 1.387 30.797 29.460 -0.084 0.000 1.416 1140 W HN 0.856 nan 8.180 nan 0.000 0.503 1141 A N 2.174 125.099 122.820 0.174 0.000 2.271 1141 A HA 0.758 5.078 4.320 0.000 0.000 0.317 1141 A C -1.214 176.463 177.584 0.155 0.000 1.245 1141 A CA -0.660 51.437 52.037 0.099 0.000 0.857 1141 A CB 0.638 19.680 19.000 0.071 0.000 1.175 1141 A HN 0.464 nan 8.150 nan 0.000 0.512 1142 V N 5.657 125.674 119.914 0.172 0.000 2.293 1142 V HA 0.328 4.448 4.120 0.000 0.000 0.275 1142 V C -2.214 174.000 176.094 0.201 0.000 1.021 1142 V CA -1.632 60.800 62.300 0.220 0.000 0.815 1142 V CB 1.162 33.186 31.823 0.335 0.000 1.025 1142 V HN 0.830 nan 8.190 nan 0.000 0.448 1143 P HA 0.270 nan 4.420 nan 0.000 0.271 1143 P C -0.635 176.701 177.300 0.061 0.000 1.220 1143 P CA 0.076 63.216 63.100 0.067 0.000 0.768 1143 P CB 1.072 32.770 31.700 -0.003 0.000 0.848 1144 M N 0.973 120.607 119.600 0.056 0.000 3.557 1144 M HA 0.390 4.870 4.480 0.000 0.000 0.301 1144 M C 1.185 177.492 176.300 0.011 0.000 1.451 1144 M CA -1.009 54.325 55.300 0.058 0.000 0.816 1144 M CB 0.720 33.400 32.600 0.134 0.000 1.848 1144 M HN -0.077 nan 8.290 nan 0.000 0.456 1145 M N 0.676 120.280 119.600 0.006 0.000 2.082 1145 M HA -0.198 4.282 4.480 0.000 0.000 0.258 1145 M C 1.973 178.259 176.300 -0.023 0.000 1.069 1145 M CA 2.884 58.174 55.300 -0.016 0.000 1.102 1145 M CB -0.821 31.767 32.600 -0.019 0.000 1.336 1145 M HN 0.863 nan 8.290 nan 0.000 0.404 1146 E N -0.189 119.993 120.200 -0.030 0.000 2.208 1146 E HA 0.144 4.494 4.350 0.000 0.000 0.193 1146 E C 1.143 177.735 176.600 -0.013 0.000 0.988 1146 E CA 0.856 57.231 56.400 -0.041 0.000 0.828 1146 E CB 0.182 29.833 29.700 -0.082 0.000 0.763 1146 E HN 0.514 nan 8.360 nan 0.000 0.478 1147 G N 0.298 109.103 108.800 0.008 0.000 2.384 1147 G HA2 -0.048 3.912 3.960 0.000 0.000 0.150 1147 G HA3 -0.048 3.912 3.960 0.000 0.000 0.150 1147 G C -1.768 173.166 174.900 0.056 0.000 1.269 1147 G CA -0.250 44.866 45.100 0.027 0.000 1.094 1147 G HN 0.108 nan 8.290 nan 0.000 0.467 1148 D N 0.681 121.126 120.400 0.075 0.000 2.256 1148 D HA 0.551 5.191 4.640 0.000 0.000 0.240 1148 D C -0.981 175.415 176.300 0.160 0.000 1.062 1148 D CA -0.134 53.931 54.000 0.109 0.000 0.832 1148 D CB 1.801 42.649 40.800 0.080 0.000 1.135 1148 D HN 0.277 nan 8.370 nan 0.000 0.484 1149 F N 3.178 123.140 119.950 0.019 0.000 2.424 1149 F HA 0.375 4.902 4.527 0.000 0.000 0.356 1149 F C -0.434 175.367 175.800 0.002 0.000 1.110 1149 F CA -0.820 57.177 58.000 -0.006 0.000 1.161 1149 F CB 0.291 39.282 39.000 -0.015 0.000 1.115 1149 F HN 0.202 nan 8.300 nan 0.000 0.507 1150 I N 8.336 128.623 120.570 -0.472 0.000 2.336 1150 I HA 0.417 4.587 4.170 0.000 0.000 0.292 1150 I C -0.534 175.016 176.117 -0.945 0.000 0.991 1150 I CA -0.649 60.346 61.300 -0.510 0.000 1.227 1150 I CB 1.544 39.402 38.000 -0.238 0.000 1.366 1150 I HN 0.608 nan 8.210 nan 0.000 0.466 1151 I N 5.535 125.699 120.570 -0.676 0.000 2.607 1151 I HA 0.292 4.462 4.170 0.000 0.000 0.290 1151 I C -0.233 175.777 176.117 -0.179 0.000 1.129 1151 I CA -0.413 60.538 61.300 -0.580 0.000 1.042 1151 I CB 2.027 39.687 38.000 -0.567 0.000 1.242 1151 I HN 0.650 nan 8.210 nan 0.000 0.421 1152 E N 5.558 125.674 120.200 -0.141 0.000 2.418 1152 E HA -0.041 4.309 4.350 0.000 0.000 0.261 1152 E C 0.537 177.245 176.600 0.179 0.000 1.070 1152 E CA 0.063 56.506 56.400 0.072 0.000 0.931 1152 E CB 0.722 30.515 29.700 0.155 0.000 0.954 1152 E HN 0.696 nan 8.360 nan 0.000 0.439 1153 N N 2.379 121.228 118.700 0.249 0.000 2.149 1153 N HA -0.138 4.602 4.740 0.000 0.000 0.188 1153 N C -0.364 175.311 175.510 0.276 0.000 1.019 1153 N CA 1.575 54.856 53.050 0.385 0.000 0.857 1153 N CB 0.144 38.865 38.487 0.391 0.000 0.997 1153 N HN 0.625 nan 8.380 nan 0.000 0.426 1154 D N -1.359 119.158 120.400 0.195 0.000 2.579 1154 D HA 0.337 4.977 4.640 0.000 0.000 0.257 1154 D C -0.748 175.641 176.300 0.148 0.000 1.176 1154 D CA -0.576 53.523 54.000 0.164 0.000 0.914 1154 D CB 1.652 42.538 40.800 0.143 0.000 1.431 1154 D HN -0.082 nan 8.370 nan 0.000 0.454 1155 I N 0.322 120.982 120.570 0.150 0.000 2.499 1155 I HA 0.401 4.571 4.170 0.000 0.000 0.288 1155 I C 0.532 176.758 176.117 0.181 0.000 1.048 1155 I CA -0.773 60.620 61.300 0.155 0.000 1.062 1155 I CB 2.199 40.285 38.000 0.144 0.000 1.238 1155 I HN 0.514 nan 8.210 nan 0.000 0.426 1156 G N 4.880 113.773 108.800 0.153 0.000 2.444 1156 G HA2 0.469 4.429 3.960 0.000 0.000 0.268 1156 G HA3 0.469 4.429 3.960 0.000 0.000 0.268 1156 G C -1.272 173.741 174.900 0.188 0.000 1.203 1156 G CA -0.058 45.116 45.100 0.124 0.000 0.835 1156 G HN 0.641 nan 8.290 nan 0.000 0.543 1157 Y N -1.120 119.207 120.300 0.046 0.000 2.553 1157 Y HA 0.826 5.376 4.550 0.000 0.000 0.347 1157 Y C -0.228 175.694 175.900 0.036 0.000 1.019 1157 Y CA -1.201 56.924 58.100 0.043 0.000 1.032 1157 Y CB 1.864 40.348 38.460 0.041 0.000 1.284 1157 Y HN 0.686 nan 8.280 nan 0.000 0.466 1158 T N 0.574 115.194 114.554 0.109 0.000 2.804 1158 T HA 0.419 4.769 4.350 0.000 0.000 0.290 1158 T C -1.562 173.204 174.700 0.110 0.000 1.099 1158 T CA -1.088 61.021 62.100 0.014 0.000 1.011 1158 T CB 1.148 70.015 68.868 -0.002 0.000 1.291 1158 T HN 0.743 nan 8.240 nan 0.000 0.523 1159 N N 1.417 120.157 118.700 0.066 0.000 2.437 1159 N HA 0.419 5.159 4.740 0.000 0.000 0.243 1159 N C 0.150 175.690 175.510 0.050 0.000 1.041 1159 N CA -0.094 53.006 53.050 0.084 0.000 0.940 1159 N CB 1.325 39.860 38.487 0.079 0.000 1.133 1159 N HN 0.751 nan 8.380 nan 0.000 0.506 1160 G N 1.132 109.958 108.800 0.044 0.000 2.971 1160 G HA2 0.753 4.713 3.960 0.000 0.000 0.235 1160 G HA3 0.753 4.713 3.960 0.000 0.000 0.235 1160 G C -0.380 174.480 174.900 -0.067 0.000 1.351 1160 G CA -0.446 44.652 45.100 -0.004 0.000 1.039 1160 G HN 0.414 nan 8.290 nan 0.000 0.563 1161 I N -0.018 120.496 120.570 -0.093 0.000 2.647 1161 I HA 0.623 4.793 4.170 0.000 0.000 0.295 1161 I C -0.096 176.004 176.117 -0.029 0.000 1.078 1161 I CA -0.919 60.290 61.300 -0.151 0.000 1.048 1161 I CB 2.356 40.177 38.000 -0.298 0.000 1.239 1161 I HN 0.610 nan 8.210 nan 0.000 0.421 1162 A N 2.959 125.797 122.820 0.030 0.000 2.413 1162 A HA 0.811 5.131 4.320 0.000 0.000 0.307 1162 A C 0.465 178.135 177.584 0.142 0.000 1.087 1162 A CA 0.045 52.140 52.037 0.096 0.000 0.750 1162 A CB 1.528 20.600 19.000 0.119 0.000 1.296 1162 A HN 1.247 nan 8.150 nan 0.000 0.423 1163 G N 0.153 109.046 108.800 0.154 0.000 2.175 1163 G HA2 0.082 4.042 3.960 0.000 0.000 0.244 1163 G HA3 0.082 4.042 3.960 0.000 0.000 0.244 1163 G C 0.918 175.884 174.900 0.110 0.000 0.982 1163 G CA 0.390 45.596 45.100 0.177 0.000 0.641 1163 G HN 2.027 nan 8.290 nan 0.000 0.527 1164 G N 0.214 109.061 108.800 0.078 0.000 2.484 1164 G HA2 0.563 4.523 3.960 0.000 0.000 0.235 1164 G HA3 0.563 4.523 3.960 0.000 0.000 0.235 1164 G C 0.055 175.004 174.900 0.082 0.000 1.282 1164 G CA 0.958 46.102 45.100 0.073 0.000 0.857 1164 G HN 1.840 nan 8.290 nan 0.000 0.571 1165 N N -1.138 117.622 118.700 0.099 0.000 3.355 1165 N HA 0.672 5.412 4.740 0.000 0.000 0.238 1165 N C -1.045 174.567 175.510 0.171 0.000 1.466 1165 N CA -0.957 52.135 53.050 0.070 0.000 0.882 1165 N CB 1.106 39.623 38.487 0.050 0.000 1.406 1165 N HN 0.932 nan 8.380 nan 0.000 0.500 1166 F N -2.659 117.335 119.950 0.073 0.000 2.703 1166 F HA 0.673 5.200 4.527 0.000 0.000 0.308 1166 F C -1.976 174.006 175.800 0.304 0.000 1.126 1166 F CA -1.452 56.571 58.000 0.039 0.000 0.959 1166 F CB 1.008 40.042 39.000 0.057 0.000 1.297 1166 F HN 0.394 nan 8.300 nan 0.000 0.441 1167 F N 2.379 122.423 119.950 0.158 0.000 2.458 1167 F HA 0.709 5.236 4.527 0.000 0.000 0.330 1167 F C -0.149 175.773 175.800 0.204 0.000 1.082 1167 F CA -1.284 56.751 58.000 0.059 0.000 0.995 1167 F CB 2.145 41.136 39.000 -0.015 0.000 1.170 1167 F HN 0.312 nan 8.300 nan 0.000 0.478 1168 I N 3.520 124.298 120.570 0.346 0.000 2.389 1168 I HA 0.328 4.498 4.170 0.000 0.000 0.288 1168 I C -0.637 175.604 176.117 0.206 0.000 0.999 1168 I CA -0.370 61.102 61.300 0.286 0.000 1.129 1168 I CB 1.771 39.939 38.000 0.280 0.000 1.288 1168 I HN 0.486 nan 8.210 nan 0.000 0.444 1169 M N 5.602 125.307 119.600 0.175 0.000 2.294 1169 M HA 0.756 5.236 4.480 0.000 0.000 0.335 1169 M C -0.400 175.957 176.300 0.095 0.000 1.079 1169 M CA -0.338 55.036 55.300 0.124 0.000 0.982 1169 M CB 2.191 34.864 32.600 0.122 0.000 1.651 1169 M HN 0.700 nan 8.290 nan 0.000 0.437 1170 A N 2.286 125.152 122.820 0.077 0.000 2.569 1170 A HA 0.524 4.844 4.320 0.000 0.000 0.290 1170 A C 0.097 177.707 177.584 0.044 0.000 1.136 1170 A CA -0.636 51.441 52.037 0.065 0.000 0.710 1170 A CB 1.233 20.284 19.000 0.086 0.000 1.303 1170 A HN 0.894 nan 8.150 nan 0.000 0.413 1171 E N -0.318 119.904 120.200 0.037 0.000 2.204 1171 E HA -0.009 4.341 4.350 0.000 0.000 0.194 1171 E C 0.538 177.154 176.600 0.026 0.000 0.989 1171 E CA 1.568 57.983 56.400 0.025 0.000 0.824 1171 E CB -0.017 29.695 29.700 0.021 0.000 0.756 1171 E HN 0.780 nan 8.360 nan 0.000 0.477 1172 T N -3.629 110.948 114.554 0.039 0.000 2.896 1172 T HA 0.167 4.517 4.350 0.000 0.000 0.297 1172 T C 0.522 175.263 174.700 0.069 0.000 1.108 1172 T CA -0.893 61.232 62.100 0.042 0.000 1.004 1172 T CB 2.167 71.057 68.868 0.037 0.000 1.159 1172 T HN -0.115 nan 8.240 nan 0.000 0.499 1173 Q N 0.385 120.228 119.800 0.073 0.000 2.084 1173 Q HA -0.020 4.320 4.340 0.000 0.000 0.202 1173 Q C -0.894 175.210 176.000 0.174 0.000 0.978 1173 Q CA 1.738 57.620 55.803 0.132 0.000 0.844 1173 Q CB -1.161 27.642 28.738 0.107 0.000 0.898 1173 Q HN 0.579 nan 8.270 nan 0.000 0.426 1174 P HA -0.075 nan 4.420 nan 0.000 0.217 1174 P C 1.116 178.454 177.300 0.063 0.000 1.150 1174 P CA 1.322 64.464 63.100 0.070 0.000 0.832 1174 P CB 0.028 31.755 31.700 0.045 0.000 0.787 1175 S N -0.599 115.143 115.700 0.071 0.000 2.355 1175 S HA -0.128 4.342 4.470 0.000 0.000 0.222 1175 S C 2.036 176.691 174.600 0.090 0.000 1.031 1175 S CA 1.397 59.636 58.200 0.065 0.000 0.993 1175 S CB -1.017 62.218 63.200 0.058 0.000 0.859 1175 S HN 0.119 nan 8.310 nan 0.000 0.453 1176 A N 0.983 123.894 122.820 0.152 0.000 1.930 1176 A HA -0.023 4.297 4.320 0.000 0.000 0.217 1176 A C 2.080 179.767 177.584 0.171 0.000 1.175 1176 A CA 1.216 53.395 52.037 0.237 0.000 0.627 1176 A CB -0.585 18.628 19.000 0.356 0.000 0.815 1176 A HN 0.430 nan 8.150 nan 0.000 0.443 1177 L N -0.351 120.896 121.223 0.041 0.000 2.072 1177 L HA 0.045 4.385 4.340 0.000 0.000 0.205 1177 L C 2.618 179.387 176.870 -0.167 0.000 1.079 1177 L CA 2.055 56.694 54.840 -0.335 0.000 0.752 1177 L CB -0.816 41.075 42.059 -0.279 0.000 0.906 1177 L HN 0.313 nan 8.230 nan 0.000 0.436 1178 A N -0.512 122.276 122.820 -0.054 0.000 1.933 1178 A HA -0.062 4.258 4.320 0.000 0.000 0.218 1178 A C 2.427 180.008 177.584 -0.006 0.000 1.175 1178 A CA 1.644 53.665 52.037 -0.026 0.000 0.628 1178 A CB -1.038 17.962 19.000 -0.000 0.000 0.814 1178 A HN 0.556 nan 8.150 nan 0.000 0.444 1179 A N -0.177 122.655 122.820 0.020 0.000 1.898 1179 A HA 0.219 4.539 4.320 0.000 0.000 0.216 1179 A C 2.484 180.109 177.584 0.069 0.000 1.181 1179 A CA 1.882 53.953 52.037 0.058 0.000 0.620 1179 A CB -0.924 18.131 19.000 0.092 0.000 0.819 1179 A HN 0.985 nan 8.150 nan 0.000 0.442 1180 A N -0.051 122.780 122.820 0.019 0.000 1.898 1180 A HA -0.128 4.192 4.320 0.000 0.000 0.216 1180 A C 2.065 179.640 177.584 -0.015 0.000 1.181 1180 A CA 2.274 54.308 52.037 -0.005 0.000 0.620 1180 A CB -0.383 18.530 19.000 -0.144 0.000 0.819 1180 A HN 0.437 nan 8.150 nan 0.000 0.442 1181 K N 0.388 120.757 120.400 -0.052 0.000 2.148 1181 K HA 0.056 4.376 4.320 0.000 0.000 0.204 1181 K C 1.889 178.497 176.600 0.013 0.000 1.050 1181 K CA 1.582 57.851 56.287 -0.030 0.000 0.942 1181 K CB -0.554 31.918 32.500 -0.046 0.000 0.724 1181 K HN 0.307 nan 8.250 nan 0.000 0.446 1182 A N 0.492 123.327 122.820 0.026 0.000 1.898 1182 A HA -0.003 4.317 4.320 0.000 0.000 0.216 1182 A C 2.372 180.000 177.584 0.073 0.000 1.181 1182 A CA 1.863 53.926 52.037 0.044 0.000 0.620 1182 A CB -0.995 18.032 19.000 0.044 0.000 0.819 1182 A HN 0.415 nan 8.150 nan 0.000 0.442 1183 A N -0.576 122.311 122.820 0.111 0.000 1.930 1183 A HA 0.041 4.361 4.320 0.000 0.000 0.217 1183 A C 2.211 179.879 177.584 0.141 0.000 1.175 1183 A CA 1.651 53.794 52.037 0.176 0.000 0.627 1183 A CB -0.871 18.337 19.000 0.346 0.000 0.815 1183 A HN 0.361 nan 8.150 nan 0.000 0.443 1184 V N 0.577 120.548 119.914 0.094 0.000 2.295 1184 V HA -0.266 3.854 4.120 0.000 0.000 0.246 1184 V C 2.226 178.363 176.094 0.071 0.000 1.049 1184 V CA 2.435 64.779 62.300 0.074 0.000 1.024 1184 V CB -0.857 30.993 31.823 0.044 0.000 0.648 1184 V HN 0.485 nan 8.190 nan 0.000 0.447 1185 D N 0.218 120.653 120.400 0.058 0.000 2.097 1185 D HA -0.120 4.520 4.640 0.000 0.000 0.195 1185 D C 2.216 178.551 176.300 0.058 0.000 0.989 1185 D CA 1.662 55.692 54.000 0.050 0.000 0.827 1185 D CB -0.400 40.421 40.800 0.036 0.000 0.966 1185 D HN 0.416 nan 8.370 nan 0.000 0.456 1186 A N 0.551 123.411 122.820 0.066 0.000 1.877 1186 A HA -0.141 4.179 4.320 0.000 0.000 0.216 1186 A C 2.297 179.925 177.584 0.074 0.000 1.186 1186 A CA 1.034 53.111 52.037 0.066 0.000 0.620 1186 A CB -0.816 18.227 19.000 0.073 0.000 0.822 1186 A HN 0.251 nan 8.150 nan 0.000 0.443 1187 I N 1.186 121.812 120.570 0.093 0.000 2.700 1187 I HA -0.202 3.969 4.170 0.000 0.000 0.261 1187 I C 2.469 178.637 176.117 0.085 0.000 1.219 1187 I CA 1.215 62.573 61.300 0.097 0.000 1.463 1187 I CB -0.199 37.875 38.000 0.123 0.000 1.092 1187 I HN 0.501 nan 8.210 nan 0.000 0.452 1188 S N -0.459 115.290 115.700 0.081 0.000 2.515 1188 S HA -0.112 4.358 4.470 0.000 0.000 0.231 1188 S C 1.323 175.974 174.600 0.084 0.000 0.987 1188 S CA 0.769 59.021 58.200 0.086 0.000 0.936 1188 S CB -0.210 63.040 63.200 0.083 0.000 0.766 1188 S HN 0.410 nan 8.310 nan 0.000 0.528 1189 D N 1.092 121.533 120.400 0.068 0.000 2.350 1189 D HA 0.188 4.828 4.640 0.000 0.000 0.213 1189 D C -0.035 176.296 176.300 0.052 0.000 1.031 1189 D CA 0.156 54.191 54.000 0.058 0.000 0.861 1189 D CB 0.457 41.284 40.800 0.045 0.000 0.926 1189 D HN 0.280 nan 8.370 nan 0.000 0.520 1190 V N 1.934 121.882 119.914 0.056 0.000 2.488 1190 V HA 0.037 4.157 4.120 0.000 0.000 0.277 1190 V C 0.609 176.728 176.094 0.041 0.000 1.046 1190 V CA -0.515 61.812 62.300 0.044 0.000 0.986 1190 V CB 1.290 33.142 31.823 0.048 0.000 0.989 1190 V HN 0.005 nan 8.190 nan 0.000 0.475 1191 E N 3.573 123.786 120.200 0.023 0.000 2.338 1191 E HA 0.437 4.787 4.350 0.000 0.000 0.272 1191 E C 1.147 177.747 176.600 0.001 0.000 1.029 1191 E CA 0.641 57.044 56.400 0.005 0.000 0.872 1191 E CB 0.710 30.399 29.700 -0.018 0.000 1.015 1191 E HN 0.983 nan 8.360 nan 0.000 0.417 1192 G N 2.328 111.126 108.800 -0.005 0.000 2.176 1192 G HA2 -0.222 3.738 3.960 0.000 0.000 0.253 1192 G HA3 -0.222 3.738 3.960 0.000 0.000 0.253 1192 G C -0.156 174.759 174.900 0.025 0.000 0.979 1192 G CA 0.152 45.252 45.100 0.000 0.000 0.641 1192 G HN 0.485 nan 8.290 nan 0.000 0.530 1193 V N 1.370 121.309 119.914 0.042 0.000 3.001 1193 V HA 0.880 5.000 4.120 0.000 0.000 0.314 1193 V C 0.337 176.474 176.094 0.072 0.000 1.099 1193 V CA -0.360 61.974 62.300 0.055 0.000 0.989 1193 V CB 2.135 33.992 31.823 0.058 0.000 1.040 1193 V HN 0.853 nan 8.190 nan 0.000 0.434 1194 I N -0.313 120.303 120.570 0.076 0.000 2.894 1194 I HA 0.778 4.948 4.170 0.000 0.000 0.302 1194 I C -0.510 175.661 176.117 0.089 0.000 1.188 1194 I CA -0.592 60.758 61.300 0.083 0.000 1.014 1194 I CB 2.721 40.768 38.000 0.077 0.000 1.242 1194 I HN 0.617 nan 8.210 nan 0.000 0.430 1195 T N 0.767 115.378 114.554 0.094 0.000 2.963 1195 T HA 0.467 4.817 4.350 0.000 0.000 0.343 1195 T C -2.214 172.565 174.700 0.131 0.000 1.146 1195 T CA -1.701 60.465 62.100 0.110 0.000 1.016 1195 T CB 0.889 69.813 68.868 0.093 0.000 1.046 1195 T HN 0.481 nan 8.240 nan 0.000 0.496 1196 P HA 0.013 nan 4.420 nan 0.000 0.218 1196 P C 0.221 177.570 177.300 0.083 0.000 1.148 1196 P CA 0.513 63.682 63.100 0.116 0.000 0.822 1196 P CB -0.023 31.745 31.700 0.114 0.000 0.784 1197 F N 0.668 120.630 119.950 0.020 0.000 2.426 1197 F HA 0.178 4.705 4.527 0.000 0.000 0.309 1197 F C -1.399 174.416 175.800 0.024 0.000 1.246 1197 F CA -2.311 55.703 58.000 0.023 0.000 1.229 1197 F CB -1.046 37.964 39.000 0.018 0.000 1.255 1197 F HN -0.169 nan 8.300 nan 0.000 0.558 1198 P HA 0.081 nan 4.420 nan 0.000 0.261 1198 P C 0.433 177.795 177.300 0.102 0.000 1.203 1198 P CA 0.889 64.048 63.100 0.098 0.000 0.767 1198 P CB 0.272 32.024 31.700 0.087 0.000 0.785 1199 G N 3.519 112.366 108.800 0.078 0.000 2.168 1199 G HA2 -0.215 3.745 3.960 0.000 0.000 0.263 1199 G HA3 -0.215 3.745 3.960 0.000 0.000 0.263 1199 G C 0.865 175.804 174.900 0.065 0.000 0.977 1199 G CA 0.463 45.600 45.100 0.061 0.000 0.659 1199 G HN 1.017 nan 8.290 nan 0.000 0.533 1200 G N -1.370 107.491 108.800 0.101 0.000 2.162 1200 G HA2 -0.236 3.724 3.960 0.000 0.000 0.260 1200 G HA3 -0.236 3.724 3.960 0.000 0.000 0.260 1200 G C 0.254 175.209 174.900 0.091 0.000 0.976 1200 G CA 0.644 45.811 45.100 0.111 0.000 0.655 1200 G HN 1.422 nan 8.290 nan 0.000 0.533 1201 I N 0.463 121.091 120.570 0.096 0.000 2.474 1201 I HA 0.470 4.640 4.170 0.000 0.000 0.294 1201 I C 0.192 176.348 176.117 0.066 0.000 1.005 1201 I CA -1.286 60.029 61.300 0.025 0.000 1.113 1201 I CB 2.235 40.202 38.000 -0.055 0.000 1.289 1201 I HN -0.149 nan 8.210 nan 0.000 0.436 1202 V N 5.582 125.426 119.914 -0.116 0.000 2.348 1202 V HA 0.280 4.401 4.120 0.000 0.000 0.270 1202 V C 0.926 177.018 176.094 -0.003 0.000 1.037 1202 V CA -0.049 62.093 62.300 -0.262 0.000 0.872 1202 V CB 1.075 32.483 31.823 -0.692 0.000 1.002 1202 V HN 0.981 nan 8.190 nan 0.000 0.464 1203 A N 3.539 126.425 122.820 0.110 0.000 2.220 1203 A HA 0.102 4.422 4.320 0.000 0.000 0.211 1203 A C 1.995 179.540 177.584 -0.065 0.000 1.176 1203 A CA 0.935 53.050 52.037 0.131 0.000 0.834 1203 A CB 0.106 19.263 19.000 0.263 0.000 0.868 1203 A HN 0.804 nan 8.150 nan 0.000 0.488 1204 S N -0.971 114.700 115.700 -0.047 0.000 2.431 1204 S HA 0.486 4.956 4.470 0.000 0.000 0.210 1204 S C 1.175 175.695 174.600 -0.133 0.000 1.013 1204 S CA 0.628 58.793 58.200 -0.059 0.000 0.920 1204 S CB -1.001 62.218 63.200 0.032 0.000 0.882 1204 S HN 1.982 nan 8.310 nan 0.000 0.567 1205 G N 0.440 109.146 108.800 -0.157 0.000 2.767 1205 G HA2 0.199 4.159 3.960 0.000 0.000 0.686 1205 G HA3 0.199 4.159 3.960 0.000 0.000 0.686 1205 G C -0.521 174.333 174.900 -0.077 0.000 1.213 1205 G CA -0.123 44.849 45.100 -0.213 0.000 0.803 1205 G HN 1.117 nan 8.290 nan 0.000 0.603 1206 S N 0.129 115.819 115.700 -0.017 0.000 2.651 1206 S HA 0.896 5.366 4.470 0.000 0.000 0.279 1206 S C -0.333 174.339 174.600 0.120 0.000 1.148 1206 S CA 0.180 58.414 58.200 0.057 0.000 0.837 1206 S CB 1.509 64.759 63.200 0.084 0.000 1.138 1206 S HN 1.456 nan 8.310 nan 0.000 0.478 1207 K N 0.787 121.265 120.400 0.131 0.000 2.395 1207 K HA 0.668 4.988 4.320 0.000 0.000 0.247 1207 K C 1.295 177.986 176.600 0.151 0.000 0.973 1207 K CA -0.553 55.847 56.287 0.190 0.000 0.828 1207 K CB 1.235 33.822 32.500 0.145 0.000 1.272 1207 K HN 0.485 nan 8.250 nan 0.000 0.439 1208 V N -0.047 119.971 119.914 0.174 0.000 2.273 1208 V HA -0.326 3.794 4.120 0.000 0.000 0.248 1208 V C 1.361 177.477 176.094 0.037 0.000 1.023 1208 V CA 2.050 64.392 62.300 0.069 0.000 1.055 1208 V CB -1.834 30.032 31.823 0.072 0.000 0.692 1208 V HN 0.985 nan 8.190 nan 0.000 0.491 1209 G N -0.483 108.337 108.800 0.033 0.000 3.387 1209 G HA2 0.712 4.672 3.960 0.000 0.000 0.195 1209 G HA3 0.712 4.672 3.960 0.000 0.000 0.195 1209 G C -0.129 174.772 174.900 0.001 0.000 1.853 1209 G CA 0.124 45.230 45.100 0.010 0.000 0.879 1209 G HN 1.830 nan 8.290 nan 0.000 0.651 1210 A N -1.416 121.388 122.820 -0.027 0.000 2.565 1210 A HA 0.538 4.858 4.320 0.000 0.000 0.298 1210 A C 0.284 177.813 177.584 -0.091 0.000 1.062 1210 A CA -0.451 51.552 52.037 -0.056 0.000 0.723 1210 A CB 0.767 19.720 19.000 -0.077 0.000 1.282 1210 A HN 0.263 nan 8.150 nan 0.000 0.400 1211 N N 0.867 119.503 118.700 -0.107 0.000 2.171 1211 N HA -0.098 4.642 4.740 0.000 0.000 0.184 1211 N C 1.270 176.667 175.510 -0.188 0.000 1.021 1211 N CA 1.653 54.633 53.050 -0.118 0.000 0.854 1211 N CB 0.177 38.603 38.487 -0.101 0.000 0.994 1211 N HN 0.759 nan 8.380 nan 0.000 0.426 1212 K N -0.648 119.551 120.400 -0.335 0.000 2.360 1212 K HA 0.087 4.407 4.320 0.000 0.000 0.196 1212 K C -0.483 175.735 176.600 -0.636 0.000 1.049 1212 K CA 0.059 56.035 56.287 -0.519 0.000 1.049 1212 K CB 0.561 32.620 32.500 -0.735 0.000 0.881 1212 K HN 0.097 nan 8.250 nan 0.000 0.542 1213 Y N 0.506 120.641 120.300 -0.276 0.000 2.705 1213 Y HA 0.246 4.796 4.550 0.000 0.000 0.355 1213 Y C 0.129 175.649 175.900 -0.634 0.000 1.039 1213 Y CA -1.070 56.656 58.100 -0.624 0.000 1.233 1213 Y CB 1.426 39.365 38.460 -0.868 0.000 1.103 1213 Y HN -0.223 nan 8.280 nan 0.000 0.624 1214 K N 0.955 121.208 120.400 -0.245 0.000 2.574 1214 K HA -0.063 4.257 4.320 0.000 0.000 0.193 1214 K C 0.969 177.540 176.600 -0.048 0.000 1.035 1214 K CA 0.728 56.946 56.287 -0.114 0.000 0.982 1214 K CB -0.390 32.098 32.500 -0.021 0.000 0.795 1214 K HN 0.693 nan 8.250 nan 0.000 0.491 1215 F N -1.443 118.560 119.950 0.088 0.000 2.743 1215 F HA 0.253 4.780 4.527 0.000 0.000 0.297 1215 F C 0.226 176.052 175.800 0.044 0.000 1.131 1215 F CA -0.622 57.409 58.000 0.052 0.000 1.426 1215 F CB -0.678 38.344 39.000 0.036 0.000 1.116 1215 F HN -0.265 nan 8.300 nan 0.000 0.583 1216 L N 1.704 122.929 121.223 0.004 0.000 2.418 1216 L HA 0.273 4.613 4.340 0.000 0.000 0.265 1216 L C 1.234 178.136 176.870 0.053 0.000 1.143 1216 L CA -0.670 54.218 54.840 0.080 0.000 0.809 1216 L CB 0.830 42.881 42.059 -0.014 0.000 1.124 1216 L HN -0.046 nan 8.230 nan 0.000 0.456 1217 K N 1.471 121.908 120.400 0.062 0.000 2.393 1217 K HA 0.401 4.721 4.320 0.000 0.000 0.193 1217 K C -0.067 176.546 176.600 0.021 0.000 1.026 1217 K CA 0.217 56.523 56.287 0.031 0.000 1.064 1217 K CB 0.659 33.173 32.500 0.024 0.000 0.833 1217 K HN 0.631 nan 8.250 nan 0.000 0.521 1218 A N 0.612 123.454 122.820 0.037 0.000 2.590 1218 A HA 0.523 4.843 4.320 0.000 0.000 0.294 1218 A C -0.878 176.739 177.584 0.055 0.000 1.046 1218 A CA -0.553 51.511 52.037 0.045 0.000 0.684 1218 A CB 0.797 19.828 19.000 0.052 0.000 1.279 1218 A HN 0.114 nan 8.150 nan 0.000 0.415 1219 S N -0.235 115.500 115.700 0.058 0.000 2.685 1219 S HA 0.824 5.294 4.470 0.000 0.000 0.282 1219 S C 0.000 174.636 174.600 0.059 0.000 1.159 1219 S CA -0.093 58.144 58.200 0.061 0.000 0.833 1219 S CB 1.296 64.528 63.200 0.053 0.000 1.151 1219 S HN 1.845 nan 8.310 nan 0.000 0.485 1220 T N 0.986 115.572 114.554 0.054 0.000 2.946 1220 T HA 0.113 4.463 4.350 0.000 0.000 0.311 1220 T C 0.185 174.913 174.700 0.047 0.000 1.063 1220 T CA 0.123 62.248 62.100 0.041 0.000 1.139 1220 T CB -0.812 68.076 68.868 0.033 0.000 0.994 1220 T HN 0.649 nan 8.240 nan 0.000 0.547 1221 N N 3.427 122.156 118.700 0.049 0.000 2.663 1221 N HA 0.031 4.771 4.740 0.000 0.000 0.250 1221 N C 1.705 177.283 175.510 0.113 0.000 1.129 1221 N CA -0.563 52.544 53.050 0.095 0.000 0.995 1221 N CB 0.302 38.843 38.487 0.090 0.000 1.324 1221 N HN 0.716 nan 8.380 nan 0.000 0.512 1222 E N 2.920 123.163 120.200 0.072 0.000 2.171 1222 E HA -0.268 4.082 4.350 0.000 0.000 0.197 1222 E C 0.524 177.140 176.600 0.027 0.000 0.997 1222 E CA 1.397 57.820 56.400 0.038 0.000 0.810 1222 E CB -0.099 29.607 29.700 0.011 0.000 0.738 1222 E HN 0.550 nan 8.360 nan 0.000 0.467 1223 K N -0.470 119.962 120.400 0.053 0.000 2.515 1223 K HA -0.003 4.317 4.320 0.000 0.000 0.196 1223 K C 0.341 176.761 176.600 -0.300 0.000 1.038 1223 K CA 0.631 56.865 56.287 -0.089 0.000 0.967 1223 K CB -0.052 32.402 32.500 -0.075 0.000 0.780 1223 K HN 0.133 nan 8.250 nan 0.000 0.483 1224 F N -0.305 119.627 119.950 -0.031 0.000 2.791 1224 F HA 0.285 4.812 4.527 0.000 0.000 0.316 1224 F C 0.049 175.793 175.800 -0.093 0.000 1.134 1224 F CA -0.733 57.236 58.000 -0.052 0.000 1.222 1224 F CB 0.971 39.927 39.000 -0.072 0.000 1.034 1224 F HN -0.225 nan 8.300 nan 0.000 0.516 1225 A N 0.707 123.544 122.820 0.030 0.000 2.341 1225 A HA 0.537 4.857 4.320 0.000 0.000 0.326 1225 A C -1.839 175.723 177.584 -0.036 0.000 1.402 1225 A CA -1.342 50.686 52.037 -0.014 0.000 0.957 1225 A CB 0.414 19.407 19.000 -0.011 0.000 1.151 1225 A HN 0.055 nan 8.150 nan 0.000 0.533 1226 P HA -0.229 nan 4.420 nan 0.000 0.215 1226 P C 1.938 179.215 177.300 -0.038 0.000 1.157 1226 P CA 2.205 65.278 63.100 -0.045 0.000 0.874 1226 P CB 0.134 31.806 31.700 -0.047 0.000 0.790 1227 S N -0.027 115.652 115.700 -0.036 0.000 2.440 1227 S HA -0.176 4.294 4.470 0.000 0.000 0.240 1227 S C 1.504 176.090 174.600 -0.023 0.000 1.014 1227 S CA 1.542 59.726 58.200 -0.026 0.000 0.980 1227 S CB -1.466 61.720 63.200 -0.023 0.000 0.775 1227 S HN 0.381 nan 8.310 nan 0.000 0.499 1228 I N -1.056 119.498 120.570 -0.026 0.000 3.707 1228 I HA 0.394 4.564 4.170 0.000 0.000 0.330 1228 I C 1.654 177.752 176.117 -0.032 0.000 1.572 1228 I CA -0.750 60.536 61.300 -0.024 0.000 1.104 1228 I CB 0.146 38.134 38.000 -0.019 0.000 1.240 1228 I HN 0.116 nan 8.210 nan 0.000 0.475 1229 R N 0.184 120.661 120.500 -0.039 0.000 2.127 1229 R HA -0.121 4.219 4.340 0.000 0.000 0.238 1229 R C 0.595 176.870 176.300 -0.042 0.000 1.134 1229 R CA 1.725 57.795 56.100 -0.050 0.000 0.975 1229 R CB -0.663 29.604 30.300 -0.056 0.000 0.865 1229 R HN 0.320 nan 8.270 nan 0.000 0.447 1230 D N 0.862 121.242 120.400 -0.033 0.000 2.371 1230 D HA -0.071 4.569 4.640 0.000 0.000 0.221 1230 D C 1.177 177.461 176.300 -0.026 0.000 0.986 1230 D CA 0.850 54.833 54.000 -0.028 0.000 0.899 1230 D CB 0.229 41.016 40.800 -0.022 0.000 0.902 1230 D HN 0.556 nan 8.370 nan 0.000 0.530 1231 Q N -0.284 119.500 119.800 -0.027 0.000 2.246 1231 Q HA 0.156 4.496 4.340 0.000 0.000 0.222 1231 Q C -0.150 175.833 176.000 -0.029 0.000 0.851 1231 Q CA 0.069 55.857 55.803 -0.024 0.000 0.945 1231 Q CB 2.055 30.780 28.738 -0.020 0.000 1.122 1231 Q HN -0.013 nan 8.270 nan 0.000 0.508 1232 V N 1.829 121.721 119.914 -0.035 0.000 2.357 1232 V HA 0.109 4.229 4.120 0.000 0.000 0.284 1232 V C 0.851 176.918 176.094 -0.045 0.000 1.018 1232 V CA -0.305 61.971 62.300 -0.040 0.000 0.841 1232 V CB 1.633 33.429 31.823 -0.046 0.000 0.991 1232 V HN 0.120 nan 8.190 nan 0.000 0.437 1233 E N 4.085 124.262 120.200 -0.039 0.000 2.106 1233 E HA -0.083 4.267 4.350 0.000 0.000 0.192 1233 E C 1.980 178.551 176.600 -0.048 0.000 0.984 1233 E CA 1.377 57.753 56.400 -0.039 0.000 0.806 1233 E CB 0.141 29.822 29.700 -0.031 0.000 0.750 1233 E HN 0.870 nan 8.360 nan 0.000 0.458 1234 G N 0.953 109.721 108.800 -0.052 0.000 3.233 1234 G HA2 -0.055 3.905 3.960 0.000 0.000 0.227 1234 G HA3 -0.055 3.905 3.960 0.000 0.000 0.227 1234 G C 0.613 175.449 174.900 -0.106 0.000 1.175 1234 G CA -0.033 45.029 45.100 -0.064 0.000 0.781 1234 G HN 0.092 nan 8.290 nan 0.000 0.542 1235 T N 0.399 114.883 114.554 -0.117 0.000 2.903 1235 T HA -0.051 4.299 4.350 0.000 0.000 0.299 1235 T C 1.094 175.644 174.700 -0.249 0.000 1.041 1235 T CA 0.550 62.543 62.100 -0.178 0.000 1.138 1235 T CB 0.510 69.297 68.868 -0.135 0.000 1.040 1235 T HN 0.213 nan 8.240 nan 0.000 0.524 1236 Q N 3.074 122.606 119.800 -0.448 0.000 2.198 1236 Q HA 0.237 4.577 4.340 0.000 0.000 0.209 1236 Q C -0.185 175.582 176.000 -0.389 0.000 0.848 1236 Q CA -0.100 55.395 55.803 -0.513 0.000 0.974 1236 Q CB 0.361 28.504 28.738 -0.992 0.000 1.115 1236 Q HN 0.590 nan 8.270 nan 0.000 0.494 1237 I N 2.775 123.179 120.570 -0.275 0.000 2.312 1237 I HA 0.265 4.435 4.170 0.000 0.000 0.291 1237 I C -2.069 173.993 176.117 -0.092 0.000 1.031 1237 I CA -2.589 58.623 61.300 -0.147 0.000 1.293 1237 I CB 0.514 38.447 38.000 -0.112 0.000 1.403 1237 I HN -0.187 nan 8.210 nan 0.000 0.484 1238 P HA 0.141 nan 4.420 nan 0.000 0.270 1238 P C 0.704 177.985 177.300 -0.032 0.000 1.223 1238 P CA -0.141 62.936 63.100 -0.039 0.000 0.785 1238 P CB 0.860 32.548 31.700 -0.020 0.000 0.923 1239 A N 2.402 125.206 122.820 -0.028 0.000 1.892 1239 A HA -0.151 4.169 4.320 0.000 0.000 0.218 1239 A C 2.149 179.723 177.584 -0.016 0.000 1.188 1239 A CA 2.309 54.332 52.037 -0.023 0.000 0.631 1239 A CB -1.882 17.106 19.000 -0.020 0.000 0.822 1239 A HN 0.663 nan 8.150 nan 0.000 0.447 1240 G N -1.296 107.497 108.800 -0.011 0.000 2.848 1240 G HA2 0.313 4.273 3.960 0.000 0.000 0.208 1240 G HA3 0.313 4.273 3.960 0.000 0.000 0.208 1240 G C 0.316 175.215 174.900 -0.001 0.000 1.152 1240 G CA 0.495 45.592 45.100 -0.005 0.000 0.789 1240 G HN 0.294 nan 8.290 nan 0.000 0.531 1241 V N 0.694 120.606 119.914 -0.004 0.000 2.432 1241 V HA 0.224 4.344 4.120 0.000 0.000 0.271 1241 V C 0.795 176.885 176.094 -0.007 0.000 1.046 1241 V CA -0.040 62.261 62.300 0.002 0.000 0.945 1241 V CB 1.471 33.298 31.823 0.007 0.000 0.992 1241 V HN 0.263 nan 8.190 nan 0.000 0.471 1242 K N 2.961 123.360 120.400 -0.003 0.000 2.360 1242 K HA 0.542 4.862 4.320 0.000 0.000 0.196 1242 K C 0.318 176.902 176.600 -0.027 0.000 1.049 1242 K CA 0.396 56.676 56.287 -0.012 0.000 1.049 1242 K CB 1.193 33.692 32.500 -0.003 0.000 0.881 1242 K HN 0.739 nan 8.250 nan 0.000 0.542 1243 A N 0.878 123.682 122.820 -0.026 0.000 2.547 1243 A HA 0.606 4.926 4.320 0.000 0.000 0.297 1243 A C -1.283 176.246 177.584 -0.092 0.000 1.056 1243 A CA -0.597 51.390 52.037 -0.083 0.000 0.688 1243 A CB 1.690 20.660 19.000 -0.051 0.000 1.282 1243 A HN -0.092 nan 8.150 nan 0.000 0.400 1244 V N 1.381 121.160 119.914 -0.225 0.000 2.789 1244 V HA 0.657 4.777 4.120 0.000 0.000 0.311 1244 V C -1.375 174.455 176.094 -0.439 0.000 1.073 1244 V CA -0.489 61.700 62.300 -0.184 0.000 0.921 1244 V CB 1.811 33.573 31.823 -0.102 0.000 1.009 1244 V HN 0.849 nan 8.190 nan 0.000 0.426 1245 Y N 1.297 121.546 120.300 -0.085 0.000 2.492 1245 Y HA 0.529 5.079 4.550 0.000 0.000 0.346 1245 Y C -0.048 175.729 175.900 -0.205 0.000 0.997 1245 Y CA -0.537 57.481 58.100 -0.137 0.000 1.025 1245 Y CB 2.252 40.669 38.460 -0.071 0.000 1.263 1245 Y HN 0.657 nan 8.280 nan 0.000 0.454 1246 E N 3.228 123.339 120.200 -0.148 0.000 2.207 1246 E HA 0.539 4.889 4.350 0.000 0.000 0.270 1246 E C -1.499 174.926 176.600 -0.291 0.000 0.927 1246 E CA -0.732 55.507 56.400 -0.268 0.000 0.799 1246 E CB 1.139 30.564 29.700 -0.457 0.000 1.172 1246 E HN 0.453 nan 8.360 nan 0.000 0.404 1247 I N 4.289 124.598 120.570 -0.436 0.000 2.382 1247 I HA 0.248 4.418 4.170 0.000 0.000 0.285 1247 I C -0.330 175.593 176.117 -0.323 0.000 1.007 1247 I CA -0.695 60.345 61.300 -0.434 0.000 1.142 1247 I CB 1.149 38.737 38.000 -0.688 0.000 1.289 1247 I HN 0.316 nan 8.210 nan 0.000 0.453 1248 V N 7.774 127.571 119.914 -0.194 0.000 2.509 1248 V HA 0.470 4.590 4.120 0.000 0.000 0.284 1248 V C 0.234 176.349 176.094 0.034 0.000 1.047 1248 V CA -0.412 61.849 62.300 -0.065 0.000 0.952 1248 V CB 2.189 33.990 31.823 -0.037 0.000 0.988 1248 V HN 0.435 nan 8.190 nan 0.000 0.469 1249 I N 4.537 125.143 120.570 0.061 0.000 2.447 1249 I HA 0.444 4.614 4.170 0.000 0.000 0.287 1249 I C -0.608 175.557 176.117 0.079 0.000 1.023 1249 I CA -0.511 60.837 61.300 0.080 0.000 1.083 1249 I CB 1.890 39.943 38.000 0.089 0.000 1.245 1249 I HN 0.508 nan 8.210 nan 0.000 0.434 1250 N N 3.635 122.383 118.700 0.079 0.000 2.417 1250 N HA 0.864 5.604 4.740 0.000 0.000 0.300 1250 N C -0.299 175.240 175.510 0.048 0.000 1.102 1250 N CA -0.428 52.660 53.050 0.064 0.000 0.886 1250 N CB 2.279 40.809 38.487 0.071 0.000 1.203 1250 N HN 0.835 nan 8.380 nan 0.000 0.496 1251 G N -0.563 108.253 108.800 0.028 0.000 2.523 1251 G HA2 0.251 4.211 3.960 0.000 0.000 0.291 1251 G HA3 0.251 4.211 3.960 0.000 0.000 0.291 1251 G C 0.266 175.170 174.900 0.006 0.000 1.450 1251 G CA -0.736 44.377 45.100 0.022 0.000 0.790 1251 G HN 0.433 nan 8.290 nan 0.000 0.496 1252 L N -0.154 121.075 121.223 0.009 0.000 2.187 1252 L HA 0.062 4.402 4.340 0.000 0.000 0.213 1252 L C 1.095 177.960 176.870 -0.009 0.000 1.100 1252 L CA 1.684 56.527 54.840 0.005 0.000 0.765 1252 L CB -0.659 41.403 42.059 0.003 0.000 0.904 1252 L HN 0.751 nan 8.230 nan 0.000 0.437 1253 N N -3.876 114.813 118.700 -0.017 0.000 3.046 1253 N HA 0.353 5.093 4.740 0.000 0.000 0.243 1253 N C 0.092 175.588 175.510 -0.024 0.000 1.452 1253 N CA -0.068 52.969 53.050 -0.021 0.000 0.882 1253 N CB 0.862 39.345 38.487 -0.006 0.000 1.425 1253 N HN -0.186 nan 8.380 nan 0.000 0.517 1254 A N 0.013 122.826 122.820 -0.012 0.000 1.883 1254 A HA -0.209 4.112 4.320 0.000 0.000 0.217 1254 A C 1.302 178.884 177.584 -0.002 0.000 1.186 1254 A CA 2.156 54.194 52.037 0.002 0.000 0.624 1254 A CB -1.084 17.942 19.000 0.043 0.000 0.822 1254 A HN 0.767 nan 8.150 nan 0.000 0.444 1255 D N -0.025 120.373 120.400 -0.004 0.000 2.158 1255 D HA -0.100 4.540 4.640 0.000 0.000 0.197 1255 D C 2.204 178.498 176.300 -0.011 0.000 0.995 1255 D CA 1.606 55.599 54.000 -0.011 0.000 0.846 1255 D CB -0.432 40.361 40.800 -0.012 0.000 0.941 1255 D HN 0.456 nan 8.370 nan 0.000 0.456 1256 A N 0.930 123.746 122.820 -0.006 0.000 1.873 1256 A HA -0.131 4.189 4.320 0.000 0.000 0.215 1256 A C 2.197 179.787 177.584 0.010 0.000 1.186 1256 A CA 0.799 52.837 52.037 0.001 0.000 0.616 1256 A CB -0.465 18.537 19.000 0.003 0.000 0.823 1256 A HN 0.112 nan 8.150 nan 0.000 0.442 1257 I N 0.234 120.809 120.570 0.009 0.000 2.208 1257 I HA -0.244 3.926 4.170 0.000 0.000 0.245 1257 I C 2.233 178.365 176.117 0.025 0.000 1.097 1257 I CA 1.684 62.999 61.300 0.024 0.000 1.363 1257 I CB -1.267 36.741 38.000 0.013 0.000 1.051 1257 I HN 0.389 nan 8.210 nan 0.000 0.413 1258 K N 0.404 120.804 120.400 0.000 0.000 2.026 1258 K HA -0.235 4.085 4.320 0.000 0.000 0.208 1258 K C 2.058 178.629 176.600 -0.047 0.000 1.048 1258 K CA 1.507 57.777 56.287 -0.027 0.000 0.929 1258 K CB -0.157 32.317 32.500 -0.043 0.000 0.713 1258 K HN 0.138 nan 8.250 nan 0.000 0.439 1259 E N 1.281 121.462 120.200 -0.032 0.000 2.051 1259 E HA -0.158 4.192 4.350 0.000 0.000 0.192 1259 E C 1.789 178.385 176.600 -0.008 0.000 0.991 1259 E CA 1.606 57.985 56.400 -0.034 0.000 0.799 1259 E CB -0.208 29.482 29.700 -0.017 0.000 0.748 1259 E HN 0.273 nan 8.360 nan 0.000 0.449 1260 A N -0.399 122.438 122.820 0.029 0.000 1.902 1260 A HA -0.179 4.141 4.320 0.000 0.000 0.217 1260 A C 2.463 180.118 177.584 0.118 0.000 1.181 1260 A CA 2.149 54.232 52.037 0.076 0.000 0.623 1260 A CB -1.102 17.954 19.000 0.093 0.000 0.818 1260 A HN 0.384 nan 8.150 nan 0.000 0.443 1261 T N -0.837 113.778 114.554 0.103 0.000 2.708 1261 T HA -0.150 4.200 4.350 0.000 0.000 0.266 1261 T C 2.081 176.741 174.700 -0.067 0.000 1.037 1261 T CA 1.528 63.701 62.100 0.123 0.000 1.146 1261 T CB -0.223 68.703 68.868 0.097 0.000 0.865 1261 T HN 0.573 nan 8.240 nan 0.000 0.435 1262 R N 0.487 120.917 120.500 -0.116 0.000 2.070 1262 R HA -0.072 4.268 4.340 0.000 0.000 0.233 1262 R C 2.365 178.649 176.300 -0.026 0.000 1.137 1262 R CA 1.312 57.293 56.100 -0.197 0.000 0.945 1262 R CB -0.568 29.548 30.300 -0.306 0.000 0.845 1262 R HN 0.212 nan 8.270 nan 0.000 0.430 1263 V N 0.416 120.327 119.914 -0.005 0.000 2.407 1263 V HA -0.144 3.976 4.120 0.000 0.000 0.248 1263 V C 2.354 178.478 176.094 0.050 0.000 1.055 1263 V CA 2.009 64.330 62.300 0.034 0.000 1.049 1263 V CB -0.708 31.140 31.823 0.040 0.000 0.662 1263 V HN 0.692 nan 8.190 nan 0.000 0.455 1264 G N -0.150 108.690 108.800 0.066 0.000 2.421 1264 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 1264 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 1264 G C 1.573 176.443 174.900 -0.050 0.000 1.171 1264 G CA 0.992 46.178 45.100 0.142 0.000 0.775 1264 G HN 0.486 nan 8.290 nan 0.000 0.543 1265 I N 0.414 120.762 120.570 -0.370 0.000 2.226 1265 I HA -0.120 4.050 4.170 0.000 0.000 0.245 1265 I C 2.698 178.755 176.117 -0.100 0.000 1.100 1265 I CA 0.578 61.656 61.300 -0.370 0.000 1.374 1265 I CB -0.186 37.639 38.000 -0.292 0.000 1.057 1265 I HN 0.133 nan 8.210 nan 0.000 0.413 1266 L N 0.452 121.683 121.223 0.014 0.000 2.046 1266 L HA -0.218 4.122 4.340 0.000 0.000 0.208 1266 L C 2.852 179.731 176.870 0.014 0.000 1.077 1266 L CA 1.447 56.306 54.840 0.031 0.000 0.747 1266 L CB -0.749 41.361 42.059 0.085 0.000 0.896 1266 L HN 0.251 nan 8.230 nan 0.000 0.432 1267 A N -0.058 122.781 122.820 0.031 0.000 1.873 1267 A HA -0.123 4.197 4.320 0.000 0.000 0.215 1267 A C 2.546 180.156 177.584 0.044 0.000 1.186 1267 A CA 1.591 53.653 52.037 0.042 0.000 0.616 1267 A CB -0.732 18.305 19.000 0.062 0.000 0.823 1267 A HN 0.384 nan 8.150 nan 0.000 0.442 1268 A N -0.016 122.841 122.820 0.061 0.000 1.908 1268 A HA -0.138 4.182 4.320 0.000 0.000 0.218 1268 A C 2.309 179.919 177.584 0.043 0.000 1.181 1268 A CA 2.502 54.589 52.037 0.082 0.000 0.627 1268 A CB -1.587 17.508 19.000 0.158 0.000 0.818 1268 A HN 0.852 nan 8.150 nan 0.000 0.445 1269 T N -2.796 111.760 114.554 0.003 0.000 3.155 1269 T HA 0.015 4.365 4.350 0.000 0.000 0.264 1269 T C 1.280 175.975 174.700 -0.009 0.000 1.160 1269 T CA 1.090 63.180 62.100 -0.018 0.000 1.075 1269 T CB -0.117 68.708 68.868 -0.070 0.000 0.921 1269 T HN 0.298 nan 8.240 nan 0.000 0.533 1270 K N 0.519 120.922 120.400 0.005 0.000 2.400 1270 K HA 0.247 4.567 4.320 0.000 0.000 0.194 1270 K C 0.437 177.044 176.600 0.011 0.000 1.033 1270 K CA 0.004 56.295 56.287 0.006 0.000 1.021 1270 K CB 0.211 32.718 32.500 0.011 0.000 0.808 1270 K HN 0.424 nan 8.250 nan 0.000 0.505 1271 I N 4.439 125.021 120.570 0.019 0.000 2.342 1271 I HA 0.140 4.310 4.170 0.000 0.000 0.291 1271 I C -2.122 174.008 176.117 0.021 0.000 1.010 1271 I CA -3.301 58.013 61.300 0.022 0.000 1.308 1271 I CB 0.507 38.526 38.000 0.031 0.000 1.400 1271 I HN -0.153 nan 8.210 nan 0.000 0.488 1272 P HA 0.185 nan 4.420 nan 0.000 0.267 1272 P C 0.719 178.032 177.300 0.022 0.000 1.205 1272 P CA 0.434 63.544 63.100 0.016 0.000 0.765 1272 P CB 1.133 32.841 31.700 0.012 0.000 0.828 1273 G N 1.636 110.449 108.800 0.022 0.000 2.253 1273 G HA2 -0.191 3.769 3.960 0.000 0.000 0.209 1273 G HA3 -0.191 3.769 3.960 0.000 0.000 0.209 1273 G C -0.078 174.843 174.900 0.035 0.000 0.997 1273 G CA -0.229 44.887 45.100 0.028 0.000 0.640 1273 G HN 0.525 nan 8.290 nan 0.000 0.496 1274 V N 1.932 121.868 119.914 0.037 0.000 2.485 1274 V HA 0.291 4.411 4.120 0.000 0.000 0.287 1274 V C 1.679 177.792 176.094 0.031 0.000 1.022 1274 V CA 0.766 63.093 62.300 0.045 0.000 1.067 1274 V CB 1.433 33.284 31.823 0.046 0.000 0.967 1274 V HN 0.211 nan 8.190 nan 0.000 0.479 1275 V N 4.028 123.965 119.914 0.037 0.000 3.085 1275 V HA 0.231 4.351 4.120 0.000 0.000 0.245 1275 V C 0.595 176.704 176.094 0.024 0.000 1.114 1275 V CA 0.880 63.195 62.300 0.025 0.000 1.108 1275 V CB 0.072 31.910 31.823 0.025 0.000 0.798 1275 V HN 0.878 nan 8.190 nan 0.000 0.471 1276 K N -0.119 120.308 120.400 0.046 0.000 2.568 1276 K HA 0.468 4.788 4.320 0.000 0.000 0.273 1276 K C -2.266 174.385 176.600 0.085 0.000 0.951 1276 K CA -0.632 55.683 56.287 0.048 0.000 0.854 1276 K CB 2.464 34.994 32.500 0.051 0.000 1.424 1276 K HN -0.065 nan 8.250 nan 0.000 0.427 1277 I N 2.936 123.543 120.570 0.063 0.000 2.498 1277 I HA 0.396 4.566 4.170 0.000 0.000 0.290 1277 I C 0.323 176.486 176.117 0.077 0.000 1.032 1277 I CA -0.300 61.058 61.300 0.097 0.000 1.073 1277 I CB 1.321 39.331 38.000 0.016 0.000 1.251 1277 I HN 0.980 nan 8.210 nan 0.000 0.426 1278 T N 1.972 116.588 114.554 0.104 0.000 2.598 1278 T HA 0.952 5.302 4.350 0.000 0.000 0.289 1278 T C -0.868 173.718 174.700 -0.192 0.000 1.056 1278 T CA -0.607 61.479 62.100 -0.024 0.000 1.088 1278 T CB 2.276 71.139 68.868 -0.008 0.000 1.519 1278 T HN 0.811 nan 8.240 nan 0.000 0.488 1279 A N -0.803 121.723 122.820 -0.490 0.000 2.593 1279 A HA 0.907 5.227 4.320 0.000 0.000 0.290 1279 A C -0.167 176.718 177.584 -1.164 0.000 1.126 1279 A CA -0.500 51.069 52.037 -0.780 0.000 0.695 1279 A CB 1.160 19.971 19.000 -0.314 0.000 1.290 1279 A HN 1.587 nan 8.150 nan 0.000 0.414 1280 G N 0.843 108.967 108.800 -1.125 0.000 2.372 1280 G HA2 0.565 4.525 3.960 0.000 0.000 0.323 1280 G HA3 0.565 4.525 3.960 0.000 0.000 0.323 1280 G C -0.571 174.030 174.900 -0.499 0.000 1.152 1280 G CA -0.335 44.304 45.100 -0.768 0.000 0.906 1280 G HN 1.041 nan 8.290 nan 0.000 0.460 1281 N N 0.082 118.416 118.700 -0.609 0.000 2.902 1281 N HA 0.327 5.067 4.740 0.000 0.000 0.268 1281 N C -1.432 173.635 175.510 -0.738 0.000 1.450 1281 N CA -0.899 51.860 53.050 -0.485 0.000 0.819 1281 N CB 1.530 39.760 38.487 -0.430 0.000 1.540 1281 N HN 0.355 nan 8.380 nan 0.000 0.545 1282 Y N -1.205 119.150 120.300 0.091 0.000 2.629 1282 Y HA 0.438 4.988 4.550 0.000 0.000 0.282 1282 Y C 1.222 177.199 175.900 0.129 0.000 0.994 1282 Y CA -0.157 58.014 58.100 0.118 0.000 1.126 1282 Y CB 0.613 39.178 38.460 0.175 0.000 1.187 1282 Y HN 0.995 nan 8.280 nan 0.000 0.600 1283 G N -0.122 108.793 108.800 0.192 0.000 2.184 1283 G HA2 -0.172 3.788 3.960 0.000 0.000 0.264 1283 G HA3 -0.172 3.788 3.960 0.000 0.000 0.264 1283 G C 1.263 176.322 174.900 0.266 0.000 0.975 1283 G CA 0.384 45.609 45.100 0.209 0.000 0.642 1283 G HN 1.393 nan 8.290 nan 0.000 0.536 1284 G N -0.671 108.322 108.800 0.321 0.000 2.148 1284 G HA2 -0.318 3.642 3.960 0.000 0.000 0.254 1284 G HA3 -0.318 3.642 3.960 0.000 0.000 0.254 1284 G C 0.901 175.877 174.900 0.127 0.000 0.981 1284 G CA 1.511 46.728 45.100 0.195 0.000 0.670 1284 G HN 0.961 nan 8.290 nan 0.000 0.528 1285 K N -1.003 119.497 120.400 0.167 0.000 2.426 1285 K HA 0.377 4.697 4.320 0.000 0.000 0.193 1285 K C 1.868 178.556 176.600 0.147 0.000 1.028 1285 K CA 0.605 56.970 56.287 0.130 0.000 1.047 1285 K CB 0.188 32.763 32.500 0.125 0.000 0.821 1285 K HN 0.368 nan 8.250 nan 0.000 0.513 1286 L N -0.757 120.593 121.223 0.212 0.000 2.541 1286 L HA 0.196 4.537 4.340 0.000 0.000 0.187 1286 L C 1.193 178.292 176.870 0.381 0.000 1.098 1286 L CA 0.501 55.526 54.840 0.308 0.000 0.846 1286 L CB -0.591 41.696 42.059 0.379 0.000 1.151 1286 L HN -0.036 nan 8.230 nan 0.000 0.492 1287 G N -0.581 108.259 108.800 0.066 0.000 2.395 1287 G HA2 0.311 4.271 3.960 0.000 0.000 0.283 1287 G HA3 0.311 4.271 3.960 0.000 0.000 0.283 1287 G C 0.363 175.180 174.900 -0.138 0.000 1.178 1287 G CA -0.291 44.589 45.100 -0.366 0.000 0.837 1287 G HN 0.109 nan 8.290 nan 0.000 0.518 1288 K N 0.103 120.436 120.400 -0.111 0.000 2.186 1288 K HA -0.006 4.314 4.320 0.000 0.000 0.202 1288 K C -0.026 176.361 176.600 -0.355 0.000 1.052 1288 K CA 0.661 56.806 56.287 -0.235 0.000 0.965 1288 K CB 0.071 32.372 32.500 -0.332 0.000 0.746 1288 K HN 0.648 nan 8.250 nan 0.000 0.457 1289 H N 0.419 119.423 119.070 -0.111 0.000 2.705 1289 H HA 0.271 4.827 4.556 0.000 0.000 0.291 1289 H C -0.504 174.760 175.328 -0.107 0.000 1.085 1289 H CA -0.199 55.793 56.048 -0.094 0.000 1.357 1289 H CB 0.424 30.147 29.762 -0.064 0.000 1.419 1289 H HN -0.019 nan 8.280 nan 0.000 0.462 1290 I N 4.426 124.972 120.570 -0.039 0.000 2.392 1290 I HA 0.270 4.440 4.170 0.000 0.000 0.295 1290 I C -0.125 175.984 176.117 -0.014 0.000 0.985 1290 I CA -0.623 60.635 61.300 -0.070 0.000 1.221 1290 I CB 1.479 39.292 38.000 -0.311 0.000 1.366 1290 I HN 0.482 nan 8.210 nan 0.000 0.467 1291 I N 5.908 126.516 120.570 0.063 0.000 2.405 1291 I HA 0.236 4.406 4.170 0.000 0.000 0.280 1291 I C -0.423 175.757 176.117 0.105 0.000 1.027 1291 I CA -0.529 60.808 61.300 0.062 0.000 1.161 1291 I CB 0.601 38.642 38.000 0.068 0.000 1.300 1291 I HN 0.471 nan 8.210 nan 0.000 0.463 1292 N N 6.202 124.941 118.700 0.064 0.000 2.411 1292 N HA 0.124 4.864 4.740 0.000 0.000 0.259 1292 N C 0.880 176.431 175.510 0.068 0.000 1.103 1292 N CA -0.381 52.728 53.050 0.098 0.000 0.954 1292 N CB 1.937 40.454 38.487 0.050 0.000 1.085 1292 N HN 0.475 nan 8.380 nan 0.000 0.485 1293 L N 2.996 124.280 121.223 0.103 0.000 2.187 1293 L HA -0.160 4.180 4.340 0.000 0.000 0.213 1293 L C 1.712 178.675 176.870 0.156 0.000 1.100 1293 L CA 1.255 56.172 54.840 0.129 0.000 0.765 1293 L CB -0.661 41.498 42.059 0.166 0.000 0.904 1293 L HN 0.466 nan 8.230 nan 0.000 0.437 1294 N N 0.015 118.786 118.700 0.118 0.000 2.149 1294 N HA -0.192 4.548 4.740 0.000 0.000 0.188 1294 N C 1.478 177.028 175.510 0.067 0.000 1.019 1294 N CA 1.220 54.333 53.050 0.106 0.000 0.857 1294 N CB -0.125 38.405 38.487 0.072 0.000 0.997 1294 N HN 0.503 nan 8.380 nan 0.000 0.426 1295 E N -0.469 119.736 120.200 0.008 0.000 2.479 1295 E HA 0.119 4.469 4.350 0.000 0.000 0.193 1295 E C 1.046 177.569 176.600 -0.128 0.000 1.049 1295 E CA 0.034 56.411 56.400 -0.039 0.000 0.870 1295 E CB 0.220 29.898 29.700 -0.037 0.000 0.944 1295 E HN 0.371 nan 8.360 nan 0.000 0.492 1296 L N -0.348 120.720 121.223 -0.259 0.000 2.477 1296 L HA 0.213 4.553 4.340 0.000 0.000 0.220 1296 L C 0.278 176.645 176.870 -0.837 0.000 1.106 1296 L CA 0.280 54.751 54.840 -0.615 0.000 0.851 1296 L CB 0.124 41.623 42.059 -0.934 0.000 0.994 1296 L HN 0.013 nan 8.230 nan 0.000 0.462 1297 F N 0.000 119.935 119.950 -0.025 0.000 2.286 1297 F HA 0.000 4.527 4.527 0.000 0.000 0.279 1297 F CA 0.000 57.985 58.000 -0.025 0.000 1.383 1297 F CB 0.000 38.980 39.000 -0.033 0.000 1.145 1297 F HN 0.000 nan 8.300 nan 0.000 0.574