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 1jl5_1_A DATA FIRST_RESID 1034 DATA SEQUENCE KSKTEYYNAW SEWERNAPPG NGEQREMAVS RLRDCLDRQA HELELNNLGL DATA SEQUENCE SSLPELPPHL ESLVASCNSL TELPELPQSL KSLLVDNNNL KALSDLPPLL DATA SEQUENCE EYLGVSNNQL EKLPELQNSS FLKIIDVDNN SLKKLPDLPP SLEFIAAGNN DATA SEQUENCE QLEELPELQN LPFLTAIYAD NNSLKKLPDL PLSLESIVAG NNILEELPEL DATA SEQUENCE QNLPFLTTIY ADNNLLKTLP DLPPSLEALN VRDNYLTDLP ELPQSLTFLD DATA SEQUENCE VSENIFSGLS ELPPNLYYLN ASSNEIRSLC DLPPSLEELN VSNNKLIELP DATA SEQUENCE ALPPRLERLI ASFNHLAEVP ELPQNLKQLH VEYNPLREFP DIPESVEDLR DATA SEQUENCE MNS 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 1034 K HA 0.000 nan 4.320 nan 0.000 0.191 1034 K C 0.000 176.487 176.600 -0.188 0.000 0.988 1034 K CA 0.000 56.107 56.287 -0.300 0.000 0.838 1034 K CB 0.000 32.012 32.500 -0.814 0.000 1.064 1035 S N 0.564 116.127 115.700 -0.229 0.000 2.632 1035 S HA 0.243 4.713 4.470 0.000 0.000 0.267 1035 S C 0.976 175.441 174.600 -0.226 0.000 1.276 1035 S CA -0.567 57.535 58.200 -0.162 0.000 0.998 1035 S CB 1.411 64.517 63.200 -0.157 0.000 0.953 1035 S HN 0.622 nan 8.310 nan 0.000 0.547 1036 K N 0.487 120.730 120.400 -0.262 0.000 2.063 1036 K HA -0.112 4.208 4.320 0.000 0.000 0.208 1036 K C 2.226 178.251 176.600 -0.959 0.000 1.048 1036 K CA 1.907 57.825 56.287 -0.615 0.000 0.928 1036 K CB -0.896 31.184 32.500 -0.700 0.000 0.713 1036 K HN 0.699 nan 8.250 nan 0.000 0.442 1037 T N 1.437 115.663 114.554 -0.546 0.000 2.699 1037 T HA -0.175 4.175 4.350 0.000 0.000 0.268 1037 T C 1.614 176.161 174.700 -0.255 0.000 1.036 1037 T CA 1.519 63.458 62.100 -0.267 0.000 1.147 1037 T CB -0.188 68.621 68.868 -0.098 0.000 0.862 1037 T HN 0.350 nan 8.240 nan 0.000 0.446 1038 E N -0.227 119.768 120.200 -0.340 0.000 2.077 1038 E HA -0.129 4.221 4.350 0.000 0.000 0.193 1038 E C 2.035 178.308 176.600 -0.544 0.000 0.989 1038 E CA 1.125 57.291 56.400 -0.390 0.000 0.800 1038 E CB -0.219 29.208 29.700 -0.455 0.000 0.746 1038 E HN 0.557 nan 8.360 nan 0.000 0.452 1039 Y N -0.264 119.643 120.300 -0.654 0.000 2.163 1039 Y HA -0.243 4.307 4.550 0.000 0.000 0.288 1039 Y C 2.232 177.426 175.900 -1.177 0.000 1.136 1039 Y CA 1.185 58.554 58.100 -1.217 0.000 1.147 1039 Y CB -0.642 36.893 38.460 -1.542 0.000 0.987 1039 Y HN 0.111 nan 8.280 nan 0.000 0.509 1040 Y N 0.149 120.172 120.300 -0.461 0.000 2.114 1040 Y HA -0.278 4.272 4.550 0.000 0.000 0.282 1040 Y C 2.223 178.131 175.900 0.014 0.000 1.165 1040 Y CA 1.206 59.276 58.100 -0.050 0.000 1.148 1040 Y CB -1.303 37.178 38.460 0.035 0.000 0.972 1040 Y HN 0.184 nan 8.280 nan 0.000 0.504 1041 N N -0.296 118.465 118.700 0.102 0.000 2.188 1041 N HA -0.088 4.652 4.740 0.000 0.000 0.184 1041 N C 2.035 177.586 175.510 0.068 0.000 1.018 1041 N CA 1.292 54.389 53.050 0.077 0.000 0.858 1041 N CB -0.697 37.798 38.487 0.013 0.000 0.989 1041 N HN 0.337 nan 8.380 nan 0.000 0.426 1042 A N 0.506 123.292 122.820 -0.056 0.000 1.902 1042 A HA -0.121 4.199 4.320 0.000 0.000 0.217 1042 A C 1.736 179.483 177.584 0.271 0.000 1.181 1042 A CA 1.055 53.095 52.037 0.005 0.000 0.623 1042 A CB -0.823 18.074 19.000 -0.171 0.000 0.818 1042 A HN 0.322 nan 8.150 nan 0.000 0.443 1043 W N 0.348 121.784 121.300 0.226 0.000 2.388 1043 W HA 0.000 4.660 4.660 0.000 0.000 0.294 1043 W C 2.604 179.337 176.519 0.357 0.000 1.212 1043 W CA 0.832 58.357 57.345 0.301 0.000 1.271 1043 W CB -1.487 28.125 29.460 0.253 0.000 1.126 1043 W HN 0.324 nan 8.180 nan 0.000 0.535 1044 S N 0.061 116.032 115.700 0.452 0.000 2.402 1044 S HA -0.177 4.293 4.470 0.000 0.000 0.229 1044 S C 1.656 176.390 174.600 0.222 0.000 1.021 1044 S CA 1.708 60.079 58.200 0.286 0.000 0.974 1044 S CB -0.124 63.193 63.200 0.195 0.000 0.800 1044 S HN 0.155 nan 8.310 nan 0.000 0.484 1045 E N 0.824 121.163 120.200 0.231 0.000 2.047 1045 E HA -0.148 4.202 4.350 0.000 0.000 0.191 1045 E C 1.604 178.329 176.600 0.208 0.000 0.987 1045 E CA 1.253 57.756 56.400 0.172 0.000 0.799 1045 E CB -0.452 29.338 29.700 0.151 0.000 0.752 1045 E HN 0.648 nan 8.360 nan 0.000 0.449 1046 W N 1.851 123.227 121.300 0.127 0.000 2.358 1046 W HA -0.153 4.507 4.660 0.000 0.000 0.303 1046 W C 2.088 178.660 176.519 0.088 0.000 1.208 1046 W CA 2.241 59.656 57.345 0.117 0.000 1.274 1046 W CB -0.472 29.091 29.460 0.173 0.000 1.138 1046 W HN 0.230 nan 8.180 nan 0.000 0.515 1047 E N 0.210 120.424 120.200 0.024 0.000 2.058 1047 E HA -0.282 4.068 4.350 0.000 0.000 0.194 1047 E C 2.234 178.691 176.600 -0.239 0.000 0.997 1047 E CA 1.870 58.107 56.400 -0.272 0.000 0.801 1047 E CB -0.285 29.428 29.700 0.022 0.000 0.746 1047 E HN 0.333 nan 8.360 nan 0.000 0.450 1048 R N 0.118 120.568 120.500 -0.084 0.000 2.152 1048 R HA -0.054 4.286 4.340 0.000 0.000 0.232 1048 R C 1.505 177.745 176.300 -0.101 0.000 1.117 1048 R CA 1.033 57.093 56.100 -0.068 0.000 0.981 1048 R CB -0.233 30.062 30.300 -0.009 0.000 0.870 1048 R HN 0.172 nan 8.270 nan 0.000 0.451 1049 N N 0.935 119.555 118.700 -0.133 0.000 2.461 1049 N HA 0.037 4.777 4.740 0.000 0.000 0.188 1049 N C -0.165 175.224 175.510 -0.200 0.000 1.134 1049 N CA 0.208 53.184 53.050 -0.123 0.000 0.878 1049 N CB 0.263 38.714 38.487 -0.060 0.000 0.972 1049 N HN 0.141 nan 8.380 nan 0.000 0.456 1050 A N 2.166 124.808 122.820 -0.298 0.000 2.545 1050 A HA 0.159 4.479 4.320 0.000 0.000 0.253 1050 A C -2.039 175.447 177.584 -0.163 0.000 1.074 1050 A CA -0.678 51.178 52.037 -0.303 0.000 0.760 1050 A CB -0.348 18.461 19.000 -0.319 0.000 1.005 1050 A HN 0.012 nan 8.150 nan 0.000 0.506 1051 P HA 0.080 nan 4.420 nan 0.000 0.260 1051 P C -2.248 175.012 177.300 -0.068 0.000 1.185 1051 P CA -0.427 62.630 63.100 -0.072 0.000 0.763 1051 P CB 0.036 31.707 31.700 -0.050 0.000 0.776 1052 P HA -0.057 nan 4.420 nan 0.000 0.264 1052 P C 0.971 178.248 177.300 -0.038 0.000 1.193 1052 P CA 0.948 64.019 63.100 -0.047 0.000 0.763 1052 P CB 0.409 32.087 31.700 -0.037 0.000 0.810 1053 G N 3.570 112.348 108.800 -0.037 0.000 2.212 1053 G HA2 -0.317 3.643 3.960 0.000 0.000 0.266 1053 G HA3 -0.317 3.643 3.960 0.000 0.000 0.266 1053 G C 0.827 175.711 174.900 -0.028 0.000 0.978 1053 G CA 0.182 45.265 45.100 -0.029 0.000 0.632 1053 G HN 0.647 nan 8.290 nan 0.000 0.537 1054 N N 1.237 119.916 118.700 -0.035 0.000 2.421 1054 N HA 0.282 5.023 4.740 0.000 0.000 0.201 1054 N C 1.758 177.250 175.510 -0.030 0.000 1.198 1054 N CA 0.523 53.555 53.050 -0.029 0.000 0.838 1054 N CB -0.252 38.217 38.487 -0.031 0.000 1.011 1054 N HN 1.099 nan 8.380 nan 0.000 0.463 1055 G N 1.601 110.381 108.800 -0.033 0.000 2.225 1055 G HA2 -0.322 3.638 3.960 0.000 0.000 0.272 1055 G HA3 -0.322 3.638 3.960 0.000 0.000 0.272 1055 G C -0.119 174.760 174.900 -0.035 0.000 0.996 1055 G CA 0.300 45.382 45.100 -0.030 0.000 0.710 1055 G HN 0.481 nan 8.290 nan 0.000 0.522 1056 E N 0.086 120.254 120.200 -0.053 0.000 2.366 1056 E HA 0.186 4.536 4.350 0.000 0.000 0.266 1056 E C 0.505 177.061 176.600 -0.074 0.000 1.015 1056 E CA 0.145 56.508 56.400 -0.062 0.000 0.906 1056 E CB 0.351 29.984 29.700 -0.111 0.000 0.979 1056 E HN 0.553 nan 8.360 nan 0.000 0.443 1057 Q N 3.009 122.788 119.800 -0.035 0.000 3.135 1057 Q HA 0.113 4.453 4.340 0.000 0.000 0.344 1057 Q C 0.771 176.768 176.000 -0.006 0.000 1.321 1057 Q CA -0.158 55.630 55.803 -0.024 0.000 1.050 1057 Q CB 0.367 29.104 28.738 -0.001 0.000 1.498 1057 Q HN 0.320 nan 8.270 nan 0.000 0.503 1058 R N 0.542 120.974 120.500 -0.112 0.000 2.115 1058 R HA -0.174 4.166 4.340 0.000 0.000 0.230 1058 R C 1.805 178.132 176.300 0.044 0.000 1.111 1058 R CA 1.114 57.115 56.100 -0.166 0.000 0.976 1058 R CB 0.154 29.977 30.300 -0.795 0.000 0.870 1058 R HN 0.517 nan 8.270 nan 0.000 0.445 1059 E N 1.034 121.229 120.200 -0.010 0.000 2.058 1059 E HA -0.256 4.094 4.350 0.000 0.000 0.194 1059 E C 1.969 178.595 176.600 0.045 0.000 0.997 1059 E CA 1.397 57.812 56.400 0.026 0.000 0.801 1059 E CB -0.001 29.697 29.700 -0.002 0.000 0.746 1059 E HN 0.071 nan 8.360 nan 0.000 0.450 1060 M N 0.803 120.421 119.600 0.030 0.000 2.117 1060 M HA -0.060 4.420 4.480 0.000 0.000 0.262 1060 M C 2.015 178.331 176.300 0.026 0.000 1.065 1060 M CA 1.959 57.270 55.300 0.018 0.000 1.114 1060 M CB -0.393 32.212 32.600 0.008 0.000 1.361 1060 M HN 0.186 nan 8.290 nan 0.000 0.408 1061 A N -0.694 122.178 122.820 0.086 0.000 1.865 1061 A HA -0.129 4.191 4.320 0.000 0.000 0.217 1061 A C 2.184 179.761 177.584 -0.012 0.000 1.191 1061 A CA 2.224 54.310 52.037 0.082 0.000 0.623 1061 A CB -1.405 17.800 19.000 0.341 0.000 0.826 1061 A HN 0.389 nan 8.150 nan 0.000 0.444 1062 V N -0.211 119.786 119.914 0.139 0.000 2.332 1062 V HA -0.247 3.874 4.120 0.000 0.000 0.248 1062 V C 2.836 178.921 176.094 -0.016 0.000 1.055 1062 V CA 2.399 64.743 62.300 0.073 0.000 1.038 1062 V CB -0.864 31.109 31.823 0.250 0.000 0.651 1062 V HN 0.694 nan 8.190 nan 0.000 0.450 1063 S N -0.416 115.286 115.700 0.003 0.000 2.370 1063 S HA -0.218 4.252 4.470 0.000 0.000 0.226 1063 S C 2.196 176.761 174.600 -0.059 0.000 1.033 1063 S CA 1.376 59.565 58.200 -0.019 0.000 1.011 1063 S CB -0.210 62.983 63.200 -0.013 0.000 0.852 1063 S HN 0.502 nan 8.310 nan 0.000 0.457 1064 R N 0.691 121.134 120.500 -0.095 0.000 2.075 1064 R HA 0.059 4.399 4.340 0.000 0.000 0.232 1064 R C 2.409 178.578 176.300 -0.219 0.000 1.126 1064 R CA 1.067 57.089 56.100 -0.129 0.000 0.963 1064 R CB -1.300 28.922 30.300 -0.130 0.000 0.858 1064 R HN 0.443 nan 8.270 nan 0.000 0.435 1065 L N 0.578 121.559 121.223 -0.403 0.000 1.989 1065 L HA -0.202 4.138 4.340 0.000 0.000 0.211 1065 L C 2.817 179.399 176.870 -0.481 0.000 1.071 1065 L CA 1.651 55.994 54.840 -0.829 0.000 0.749 1065 L CB -0.412 40.601 42.059 -1.743 0.000 0.890 1065 L HN 0.155 nan 8.230 nan 0.000 0.431 1066 R N -0.271 120.184 120.500 -0.075 0.000 2.070 1066 R HA -0.215 4.125 4.340 0.000 0.000 0.233 1066 R C 2.023 178.451 176.300 0.214 0.000 1.137 1066 R CA 1.939 58.267 56.100 0.381 0.000 0.945 1066 R CB -0.626 29.788 30.300 0.189 0.000 0.845 1066 R HN 0.326 nan 8.270 nan 0.000 0.430 1067 D N 0.224 120.658 120.400 0.058 0.000 2.123 1067 D HA -0.199 4.441 4.640 0.000 0.000 0.196 1067 D C 1.968 178.285 176.300 0.029 0.000 0.992 1067 D CA 1.254 55.274 54.000 0.033 0.000 0.833 1067 D CB -0.175 40.617 40.800 -0.012 0.000 0.954 1067 D HN 0.223 nan 8.370 nan 0.000 0.455 1068 C N -0.507 118.784 119.300 -0.014 0.000 2.432 1068 C HA -0.087 4.373 4.460 0.000 0.000 0.277 1068 C C 2.647 177.658 174.990 0.036 0.000 1.249 1068 C CA 0.846 59.850 59.018 -0.024 0.000 1.725 1068 C CB -1.481 26.202 27.740 -0.094 0.000 2.028 1068 C HN 0.487 nan 8.230 nan 0.000 0.477 1069 L N 1.522 122.816 121.223 0.119 0.000 1.989 1069 L HA -0.094 4.246 4.340 0.000 0.000 0.211 1069 L C 2.202 179.153 176.870 0.134 0.000 1.071 1069 L CA 2.574 57.513 54.840 0.165 0.000 0.749 1069 L CB -1.024 41.264 42.059 0.383 0.000 0.890 1069 L HN 0.353 nan 8.230 nan 0.000 0.431 1070 D N -0.595 119.914 120.400 0.182 0.000 2.097 1070 D HA -0.154 4.486 4.640 0.000 0.000 0.195 1070 D C 2.175 178.518 176.300 0.071 0.000 0.989 1070 D CA 1.102 55.188 54.000 0.143 0.000 0.827 1070 D CB -0.273 40.626 40.800 0.165 0.000 0.966 1070 D HN 0.296 nan 8.370 nan 0.000 0.456 1071 R N 0.306 120.833 120.500 0.045 0.000 2.280 1071 R HA 0.013 4.353 4.340 0.000 0.000 0.207 1071 R C 0.501 176.795 176.300 -0.010 0.000 1.043 1071 R CA 0.166 56.268 56.100 0.004 0.000 1.006 1071 R CB -0.231 30.058 30.300 -0.017 0.000 0.885 1071 R HN 0.362 nan 8.270 nan 0.000 0.467 1072 Q N -1.303 118.507 119.800 0.017 0.000 2.480 1072 Q HA -0.179 4.161 4.340 0.000 0.000 0.265 1072 Q C -0.232 175.767 176.000 -0.002 0.000 1.072 1072 Q CA 0.570 56.387 55.803 0.023 0.000 1.018 1072 Q CB -1.833 26.910 28.738 0.008 0.000 1.433 1072 Q HN 0.442 nan 8.270 nan 0.000 0.513 1073 A N -0.447 122.358 122.820 -0.024 0.000 2.520 1073 A HA 0.058 4.378 4.320 0.000 0.000 0.235 1073 A C 0.586 178.187 177.584 0.028 0.000 1.065 1073 A CA 0.733 52.733 52.037 -0.062 0.000 0.764 1073 A CB 0.219 19.187 19.000 -0.054 0.000 1.002 1073 A HN 0.495 nan 8.150 nan 0.000 0.502 1074 H N 0.365 119.416 119.070 -0.031 0.000 2.389 1074 H HA -0.029 4.527 4.556 0.000 0.000 0.299 1074 H C 0.845 176.144 175.328 -0.049 0.000 1.081 1074 H CA 1.258 57.285 56.048 -0.035 0.000 1.345 1074 H CB 0.399 30.135 29.762 -0.042 0.000 1.393 1074 H HN 0.806 nan 8.280 nan 0.000 0.520 1075 E N 0.895 121.136 120.200 0.068 0.000 2.207 1075 E HA 0.343 4.693 4.350 0.000 0.000 0.270 1075 E C -1.596 174.976 176.600 -0.047 0.000 0.927 1075 E CA -0.933 55.462 56.400 -0.008 0.000 0.799 1075 E CB 1.523 31.206 29.700 -0.028 0.000 1.172 1075 E HN 0.015 nan 8.360 nan 0.000 0.404 1076 L N 3.630 124.808 121.223 -0.075 0.000 2.349 1076 L HA 0.424 4.765 4.340 0.000 0.000 0.278 1076 L C -1.309 175.497 176.870 -0.108 0.000 0.996 1076 L CA -0.299 54.476 54.840 -0.110 0.000 0.825 1076 L CB 1.635 43.606 42.059 -0.147 0.000 1.243 1076 L HN 0.538 nan 8.230 nan 0.000 0.412 1077 E N 6.046 126.185 120.200 -0.102 0.000 2.145 1077 E HA 0.305 4.655 4.350 0.000 0.000 0.262 1077 E C -1.226 175.323 176.600 -0.085 0.000 0.883 1077 E CA -0.281 56.066 56.400 -0.089 0.000 0.748 1077 E CB 1.017 30.671 29.700 -0.077 0.000 1.140 1077 E HN 0.848 nan 8.360 nan 0.000 0.417 1078 L N 4.101 125.276 121.223 -0.080 0.000 3.168 1078 L HA 0.298 4.638 4.340 0.000 0.000 0.277 1078 L C 0.013 176.864 176.870 -0.032 0.000 1.308 1078 L CA -0.599 54.206 54.840 -0.058 0.000 0.976 1078 L CB 0.054 42.069 42.059 -0.075 0.000 1.383 1078 L HN 0.193 nan 8.230 nan 0.000 0.572 1079 N N 1.431 120.109 118.700 -0.036 0.000 2.492 1079 N HA -0.044 4.696 4.740 0.000 0.000 0.260 1079 N C 0.634 176.136 175.510 -0.012 0.000 1.215 1079 N CA 0.259 53.294 53.050 -0.026 0.000 0.923 1079 N CB 0.350 38.817 38.487 -0.034 0.000 1.092 1079 N HN 0.178 nan 8.380 nan 0.000 0.448 1080 N N 0.747 119.444 118.700 -0.005 0.000 2.714 1080 N HA -0.194 4.547 4.740 0.000 0.000 0.252 1080 N C -0.446 175.069 175.510 0.007 0.000 1.014 1080 N CA 0.366 53.417 53.050 0.001 0.000 0.735 1080 N CB -1.026 37.458 38.487 -0.005 0.000 0.924 1080 N HN 0.584 nan 8.380 nan 0.000 0.540 1081 L N -1.099 120.136 121.223 0.019 0.000 2.728 1081 L HA 0.299 4.639 4.340 0.000 0.000 0.238 1081 L C 1.739 178.630 176.870 0.035 0.000 1.143 1081 L CA 0.288 55.146 54.840 0.030 0.000 0.937 1081 L CB -0.249 41.842 42.059 0.055 0.000 1.225 1081 L HN 0.448 nan 8.230 nan 0.000 0.507 1082 G N 1.339 110.156 108.800 0.030 0.000 2.233 1082 G HA2 -0.301 3.659 3.960 0.000 0.000 0.270 1082 G HA3 -0.301 3.659 3.960 0.000 0.000 0.270 1082 G C 0.329 175.256 174.900 0.044 0.000 1.011 1082 G CA 0.032 45.147 45.100 0.026 0.000 0.762 1082 G HN 0.311 nan 8.290 nan 0.000 0.511 1083 L N 1.072 122.348 121.223 0.089 0.000 2.477 1083 L HA 0.259 4.599 4.340 0.000 0.000 0.272 1083 L C 1.844 178.798 176.870 0.140 0.000 1.157 1083 L CA 0.336 55.276 54.840 0.167 0.000 0.889 1083 L CB 0.912 43.144 42.059 0.287 0.000 1.158 1083 L HN 0.340 nan 8.230 nan 0.000 0.473 1084 S N 0.272 116.048 115.700 0.127 0.000 2.562 1084 S HA 0.078 4.548 4.470 0.000 0.000 0.221 1084 S C 0.555 175.247 174.600 0.154 0.000 0.975 1084 S CA 0.108 58.370 58.200 0.103 0.000 0.918 1084 S CB -0.023 63.213 63.200 0.060 0.000 0.772 1084 S HN 0.767 nan 8.310 nan 0.000 0.531 1085 S N -0.128 115.734 115.700 0.270 0.000 2.595 1085 S HA 0.648 5.118 4.470 0.000 0.000 0.270 1085 S C -1.503 173.312 174.600 0.357 0.000 1.145 1085 S CA -1.161 57.214 58.200 0.292 0.000 0.825 1085 S CB 0.621 64.021 63.200 0.334 0.000 1.107 1085 S HN 0.242 nan 8.310 nan 0.000 0.461 1086 L N 1.861 123.102 121.223 0.031 0.000 2.346 1086 L HA 0.677 5.017 4.340 0.000 0.000 0.274 1086 L C -2.191 174.349 176.870 -0.550 0.000 1.007 1086 L CA -2.301 52.311 54.840 -0.380 0.000 0.818 1086 L CB 2.477 44.382 42.059 -0.256 0.000 1.284 1086 L HN 0.594 nan 8.230 nan 0.000 0.424 1087 P HA 0.100 nan 4.420 nan 0.000 0.293 1087 P C -0.725 176.513 177.300 -0.104 0.000 1.304 1087 P CA -0.599 62.215 63.100 -0.477 0.000 0.767 1087 P CB 0.676 32.130 31.700 -0.409 0.000 1.247 1088 E N -0.294 119.997 120.200 0.152 0.000 2.502 1088 E HA 0.046 4.396 4.350 0.000 0.000 0.261 1088 E C -0.351 176.460 176.600 0.351 0.000 0.974 1088 E CA -0.055 56.478 56.400 0.222 0.000 0.936 1088 E CB 0.025 29.874 29.700 0.249 0.000 0.926 1088 E HN 0.229 nan 8.360 nan 0.000 0.459 1089 L N 5.596 126.918 121.223 0.164 0.000 2.439 1089 L HA 0.328 4.668 4.340 0.000 0.000 0.261 1089 L C -1.991 174.926 176.870 0.078 0.000 1.153 1089 L CA -2.238 52.644 54.840 0.070 0.000 0.808 1089 L CB 0.496 42.535 42.059 -0.032 0.000 1.126 1089 L HN 0.484 nan 8.230 nan 0.000 0.460 1090 P HA -0.036 nan 4.420 nan 0.000 0.264 1090 P C -1.830 175.343 177.300 -0.212 0.000 1.183 1090 P CA -0.766 62.224 63.100 -0.183 0.000 0.763 1090 P CB 0.115 31.768 31.700 -0.078 0.000 0.807 1091 P HA -0.210 nan 4.420 nan 0.000 0.216 1091 P C 0.228 177.217 177.300 -0.518 0.000 1.154 1091 P CA 2.060 64.943 63.100 -0.361 0.000 0.865 1091 P CB -0.205 31.252 31.700 -0.405 0.000 0.789 1092 H N -1.620 117.437 119.070 -0.022 0.000 2.472 1092 H HA 0.317 4.873 4.556 0.000 0.000 0.287 1092 H C 0.274 175.596 175.328 -0.010 0.000 1.112 1092 H CA -0.921 55.122 56.048 -0.009 0.000 1.021 1092 H CB -0.608 29.156 29.762 0.004 0.000 1.635 1092 H HN 0.007 nan 8.280 nan 0.000 0.559 1093 L N 1.455 122.686 121.223 0.014 0.000 2.499 1093 L HA -0.010 4.331 4.340 0.000 0.000 0.273 1093 L C 0.928 177.794 176.870 -0.006 0.000 1.195 1093 L CA 0.863 55.705 54.840 0.004 0.000 0.882 1093 L CB 0.621 42.657 42.059 -0.038 0.000 1.133 1093 L HN 0.367 nan 8.230 nan 0.000 0.483 1094 E N 1.171 121.364 120.200 -0.012 0.000 2.340 1094 E HA 0.105 4.455 4.350 0.000 0.000 0.198 1094 E C -0.194 176.373 176.600 -0.055 0.000 0.961 1094 E CA 0.138 56.500 56.400 -0.064 0.000 0.905 1094 E CB 0.647 30.248 29.700 -0.166 0.000 0.884 1094 E HN 0.554 nan 8.360 nan 0.000 0.491 1095 S N 0.931 116.607 115.700 -0.040 0.000 2.707 1095 S HA 0.391 4.862 4.470 0.000 0.000 0.303 1095 S C -1.477 173.083 174.600 -0.066 0.000 1.132 1095 S CA -0.737 57.428 58.200 -0.059 0.000 1.046 1095 S CB 0.852 64.010 63.200 -0.069 0.000 1.004 1095 S HN 0.099 nan 8.310 nan 0.000 0.483 1096 L N 6.832 128.013 121.223 -0.070 0.000 2.276 1096 L HA 0.684 5.024 4.340 0.000 0.000 0.286 1096 L C -1.270 175.548 176.870 -0.087 0.000 1.024 1096 L CA -0.250 54.544 54.840 -0.077 0.000 0.826 1096 L CB 1.219 43.240 42.059 -0.063 0.000 1.211 1096 L HN 0.448 nan 8.230 nan 0.000 0.422 1097 V N 5.726 125.582 119.914 -0.096 0.000 2.293 1097 V HA 0.656 4.777 4.120 0.000 0.000 0.275 1097 V C 0.612 176.659 176.094 -0.079 0.000 1.021 1097 V CA 0.081 62.322 62.300 -0.098 0.000 0.815 1097 V CB 0.868 32.625 31.823 -0.110 0.000 1.025 1097 V HN 0.905 nan 8.190 nan 0.000 0.448 1098 A N 3.215 125.998 122.820 -0.061 0.000 2.812 1098 A HA 0.545 4.865 4.320 0.000 0.000 0.294 1098 A C 0.609 178.178 177.584 -0.024 0.000 1.014 1098 A CA -0.300 51.710 52.037 -0.045 0.000 1.024 1098 A CB 0.180 19.152 19.000 -0.047 0.000 1.162 1098 A HN 0.602 nan 8.150 nan 0.000 0.511 1099 S N -0.692 114.991 115.700 -0.029 0.000 2.584 1099 S HA 0.285 4.756 4.470 0.000 0.000 0.270 1099 S C 0.754 175.349 174.600 -0.007 0.000 1.346 1099 S CA 0.244 58.434 58.200 -0.016 0.000 1.018 1099 S CB 0.081 63.265 63.200 -0.026 0.000 0.899 1099 S HN 1.084 nan 8.310 nan 0.000 0.542 1100 C N 2.897 122.198 119.300 0.001 0.000 3.690 1100 C HA -0.110 4.350 4.460 0.000 0.000 0.295 1100 C C 0.622 175.619 174.990 0.012 0.000 1.283 1100 C CA -0.154 58.868 59.018 0.005 0.000 2.212 1100 C CB -2.812 24.928 27.740 -0.000 0.000 1.407 1100 C HN 0.854 nan 8.230 nan 0.000 0.595 1101 N N -0.626 118.085 118.700 0.019 0.000 3.343 1101 N HA 0.500 5.240 4.740 0.000 0.000 0.330 1101 N C 0.105 175.635 175.510 0.033 0.000 1.560 1101 N CA -0.571 52.499 53.050 0.032 0.000 0.752 1101 N CB 1.492 40.005 38.487 0.044 0.000 1.863 1101 N HN 0.209 nan 8.380 nan 0.000 0.636 1102 S N 0.380 116.106 115.700 0.044 0.000 2.624 1102 S HA 0.362 4.832 4.470 0.000 0.000 0.246 1102 S C 0.185 174.815 174.600 0.050 0.000 1.072 1102 S CA -0.396 57.828 58.200 0.040 0.000 1.045 1102 S CB -0.297 62.924 63.200 0.035 0.000 0.851 1102 S HN 0.248 nan 8.310 nan 0.000 0.480 1103 L N 2.557 123.811 121.223 0.052 0.000 2.534 1103 L HA 0.086 4.426 4.340 0.000 0.000 0.271 1103 L C 1.693 178.590 176.870 0.044 0.000 1.178 1103 L CA 0.121 54.994 54.840 0.055 0.000 0.907 1103 L CB 0.191 42.276 42.059 0.044 0.000 1.164 1103 L HN 0.342 nan 8.230 nan 0.000 0.482 1104 T N -1.881 112.702 114.554 0.048 0.000 3.001 1104 T HA 0.214 4.564 4.350 0.000 0.000 0.251 1104 T C 0.409 175.131 174.700 0.038 0.000 1.040 1104 T CA -0.199 61.925 62.100 0.039 0.000 0.985 1104 T CB 0.537 69.428 68.868 0.039 0.000 1.011 1104 T HN 0.466 nan 8.240 nan 0.000 0.509 1105 E N -0.178 120.048 120.200 0.042 0.000 2.413 1105 E HA 0.696 5.046 4.350 0.000 0.000 0.277 1105 E C -1.863 174.756 176.600 0.032 0.000 0.958 1105 E CA -0.760 55.662 56.400 0.037 0.000 0.779 1105 E CB 1.907 31.633 29.700 0.043 0.000 1.278 1105 E HN 0.242 nan 8.360 nan 0.000 0.456 1106 L N 3.481 124.717 121.223 0.023 0.000 2.334 1106 L HA 0.629 4.969 4.340 0.000 0.000 0.276 1106 L C -1.919 174.955 176.870 0.006 0.000 1.014 1106 L CA -1.949 52.897 54.840 0.009 0.000 0.815 1106 L CB 1.716 43.779 42.059 0.007 0.000 1.268 1106 L HN 0.507 nan 8.230 nan 0.000 0.428 1107 P HA 0.022 nan 4.420 nan 0.000 0.273 1107 P C -0.635 176.667 177.300 0.002 0.000 1.250 1107 P CA -0.482 62.614 63.100 -0.006 0.000 0.793 1107 P CB 0.664 32.345 31.700 -0.033 0.000 1.011 1108 E N 0.507 120.713 120.200 0.011 0.000 2.502 1108 E HA 0.033 4.383 4.350 0.000 0.000 0.261 1108 E C -0.553 176.051 176.600 0.006 0.000 0.974 1108 E CA -0.090 56.317 56.400 0.012 0.000 0.936 1108 E CB 0.075 29.784 29.700 0.015 0.000 0.926 1108 E HN 0.293 nan 8.360 nan 0.000 0.459 1109 L N 6.506 127.732 121.223 0.005 0.000 2.312 1109 L HA 0.369 4.709 4.340 0.000 0.000 0.281 1109 L C -1.978 174.891 176.870 -0.002 0.000 1.070 1109 L CA -2.301 52.539 54.840 -0.001 0.000 0.805 1109 L CB 1.023 43.084 42.059 0.004 0.000 1.174 1109 L HN 0.506 nan 8.230 nan 0.000 0.434 1110 P HA -0.004 nan 4.420 nan 0.000 0.267 1110 P C 0.038 177.333 177.300 -0.007 0.000 1.200 1110 P CA -0.297 62.789 63.100 -0.022 0.000 0.772 1110 P CB 0.484 32.158 31.700 -0.043 0.000 0.855 1111 Q N 0.820 120.619 119.800 -0.002 0.000 2.437 1111 Q HA -0.069 4.271 4.340 0.000 0.000 0.210 1111 Q C 1.400 177.403 176.000 0.006 0.000 0.972 1111 Q CA 1.271 57.081 55.803 0.012 0.000 0.903 1111 Q CB -0.431 28.319 28.738 0.019 0.000 0.967 1111 Q HN 0.581 nan 8.270 nan 0.000 0.486 1112 S N -0.838 114.860 115.700 -0.002 0.000 2.548 1112 S HA 0.067 4.537 4.470 0.000 0.000 0.215 1112 S C 0.769 175.346 174.600 -0.038 0.000 0.976 1112 S CA -0.414 57.777 58.200 -0.015 0.000 0.908 1112 S CB -0.061 63.154 63.200 0.024 0.000 0.781 1112 S HN 0.155 nan 8.310 nan 0.000 0.519 1113 L N 2.597 123.807 121.223 -0.022 0.000 2.534 1113 L HA 0.259 4.600 4.340 0.000 0.000 0.271 1113 L C 0.937 177.795 176.870 -0.019 0.000 1.178 1113 L CA 0.665 55.492 54.840 -0.022 0.000 0.907 1113 L CB 0.422 42.477 42.059 -0.007 0.000 1.164 1113 L HN 0.100 nan 8.230 nan 0.000 0.482 1114 K N 1.525 121.903 120.400 -0.036 0.000 2.365 1114 K HA 0.196 4.516 4.320 0.000 0.000 0.195 1114 K C 0.069 176.683 176.600 0.023 0.000 1.079 1114 K CA 0.118 56.389 56.287 -0.026 0.000 0.979 1114 K CB 0.708 33.158 32.500 -0.082 0.000 0.929 1114 K HN 0.543 nan 8.250 nan 0.000 0.523 1115 S N 1.148 116.849 115.700 0.001 0.000 2.647 1115 S HA 0.443 4.913 4.470 0.000 0.000 0.300 1115 S C -1.801 172.794 174.600 -0.008 0.000 1.129 1115 S CA -0.784 57.423 58.200 0.011 0.000 1.029 1115 S CB 0.879 64.027 63.200 -0.086 0.000 1.007 1115 S HN 0.117 nan 8.310 nan 0.000 0.484 1116 L N 6.015 127.272 121.223 0.057 0.000 2.345 1116 L HA 0.686 5.026 4.340 0.000 0.000 0.274 1116 L C -1.858 175.045 176.870 0.055 0.000 0.999 1116 L CA -0.366 54.496 54.840 0.037 0.000 0.849 1116 L CB 1.047 43.141 42.059 0.059 0.000 1.220 1116 L HN 0.618 nan 8.230 nan 0.000 0.422 1117 L N 6.414 127.616 121.223 -0.035 0.000 2.356 1117 L HA 0.418 4.758 4.340 0.000 0.000 0.264 1117 L C 0.224 177.081 176.870 -0.021 0.000 1.029 1117 L CA -0.136 54.679 54.840 -0.042 0.000 0.897 1117 L CB 1.527 43.480 42.059 -0.177 0.000 1.256 1117 L HN 0.527 nan 8.230 nan 0.000 0.444 1118 V N -1.322 118.602 119.914 0.017 0.000 2.838 1118 V HA 0.310 4.430 4.120 0.000 0.000 0.363 1118 V C 0.204 176.311 176.094 0.023 0.000 1.324 1118 V CA -0.768 61.538 62.300 0.010 0.000 1.220 1118 V CB -0.055 31.776 31.823 0.012 0.000 1.328 1118 V HN 0.607 nan 8.190 nan 0.000 0.595 1119 D N 0.411 120.827 120.400 0.027 0.000 2.378 1119 D HA -0.014 4.626 4.640 0.000 0.000 0.238 1119 D C 0.034 176.345 176.300 0.019 0.000 1.180 1119 D CA 0.057 54.075 54.000 0.031 0.000 0.895 1119 D CB 0.312 41.133 40.800 0.034 0.000 1.192 1119 D HN 0.353 nan 8.370 nan 0.000 0.438 1120 N N 1.356 120.068 118.700 0.020 0.000 2.681 1120 N HA -0.143 4.597 4.740 0.000 0.000 0.259 1120 N C -0.946 174.575 175.510 0.018 0.000 1.066 1120 N CA 0.572 53.632 53.050 0.016 0.000 0.717 1120 N CB -0.941 37.552 38.487 0.011 0.000 0.885 1120 N HN 0.563 nan 8.380 nan 0.000 0.547 1121 N N 0.201 118.914 118.700 0.021 0.000 3.278 1121 N HA 0.295 5.035 4.740 0.000 0.000 0.307 1121 N C -0.152 175.373 175.510 0.025 0.000 1.551 1121 N CA -0.553 52.512 53.050 0.024 0.000 0.794 1121 N CB 0.514 39.016 38.487 0.025 0.000 1.770 1121 N HN 0.185 nan 8.380 nan 0.000 0.612 1122 N N 0.042 118.759 118.700 0.027 0.000 2.401 1122 N HA 0.312 5.052 4.740 0.000 0.000 0.264 1122 N C -0.628 174.898 175.510 0.027 0.000 1.238 1122 N CA -0.067 52.999 53.050 0.026 0.000 0.889 1122 N CB 0.738 39.241 38.487 0.027 0.000 1.196 1122 N HN 0.204 nan 8.380 nan 0.000 0.511 1123 L N 1.237 122.476 121.223 0.027 0.000 2.477 1123 L HA 0.085 4.425 4.340 0.000 0.000 0.272 1123 L C 1.275 178.160 176.870 0.025 0.000 1.157 1123 L CA 0.345 55.201 54.840 0.027 0.000 0.889 1123 L CB 0.682 42.757 42.059 0.027 0.000 1.158 1123 L HN 0.154 nan 8.230 nan 0.000 0.473 1124 K N 2.627 123.041 120.400 0.024 0.000 2.354 1124 K HA 0.362 4.682 4.320 0.000 0.000 0.194 1124 K C 0.192 176.805 176.600 0.021 0.000 1.045 1124 K CA 0.115 56.415 56.287 0.021 0.000 1.026 1124 K CB 0.884 33.396 32.500 0.020 0.000 0.866 1124 K HN 0.715 nan 8.250 nan 0.000 0.530 1125 A N 0.928 123.761 122.820 0.022 0.000 2.609 1125 A HA 0.683 5.003 4.320 0.000 0.000 0.291 1125 A C -1.733 175.864 177.584 0.023 0.000 1.096 1125 A CA -0.741 51.309 52.037 0.021 0.000 0.684 1125 A CB 1.231 20.243 19.000 0.020 0.000 1.282 1125 A HN 0.057 nan 8.150 nan 0.000 0.412 1126 L N 1.021 122.258 121.223 0.022 0.000 2.386 1126 L HA 0.524 4.864 4.340 0.000 0.000 0.271 1126 L C 0.296 177.179 176.870 0.022 0.000 0.993 1126 L CA -0.689 54.165 54.840 0.023 0.000 0.819 1126 L CB 2.334 44.409 42.059 0.026 0.000 1.294 1126 L HN 0.750 nan 8.230 nan 0.000 0.414 1127 S N 0.296 116.009 115.700 0.021 0.000 2.608 1127 S HA 0.124 4.594 4.470 0.000 0.000 0.261 1127 S C -0.564 174.049 174.600 0.022 0.000 1.314 1127 S CA -0.748 57.464 58.200 0.020 0.000 0.992 1127 S CB 0.472 63.683 63.200 0.019 0.000 0.935 1127 S HN 0.479 nan 8.310 nan 0.000 0.564 1128 D N 1.611 122.024 120.400 0.020 0.000 2.525 1128 D HA 0.036 4.676 4.640 0.000 0.000 0.235 1128 D C 0.243 176.559 176.300 0.027 0.000 1.137 1128 D CA 0.410 54.423 54.000 0.022 0.000 0.868 1128 D CB 0.125 40.938 40.800 0.020 0.000 1.180 1128 D HN 0.301 nan 8.370 nan 0.000 0.465 1129 L N 3.410 124.652 121.223 0.031 0.000 2.483 1129 L HA 0.097 4.437 4.340 0.000 0.000 0.276 1129 L C -1.800 175.096 176.870 0.044 0.000 1.213 1129 L CA -1.421 53.443 54.840 0.039 0.000 0.843 1129 L CB -0.384 41.702 42.059 0.045 0.000 1.107 1129 L HN 0.119 nan 8.230 nan 0.000 0.487 1130 P HA 0.032 nan 4.420 nan 0.000 0.268 1130 P C -1.801 175.545 177.300 0.075 0.000 1.204 1130 P CA -1.032 62.097 63.100 0.048 0.000 0.768 1130 P CB 0.185 31.907 31.700 0.037 0.000 0.842 1131 P HA -0.154 nan 4.420 nan 0.000 0.217 1131 P C 0.749 178.199 177.300 0.251 0.000 1.148 1131 P CA 1.648 64.829 63.100 0.135 0.000 0.834 1131 P CB 0.067 31.839 31.700 0.119 0.000 0.783 1132 L N -1.708 119.621 121.223 0.176 0.000 2.611 1132 L HA 0.153 4.494 4.340 0.000 0.000 0.229 1132 L C 1.077 178.030 176.870 0.138 0.000 1.137 1132 L CA -0.794 54.134 54.840 0.146 0.000 0.901 1132 L CB -0.453 41.550 42.059 -0.094 0.000 1.098 1132 L HN -0.055 nan 8.230 nan 0.000 0.456 1133 L N 1.024 122.333 121.223 0.145 0.000 2.628 1133 L HA -0.089 4.251 4.340 0.000 0.000 0.274 1133 L C 1.198 178.160 176.870 0.154 0.000 1.209 1133 L CA 1.062 55.973 54.840 0.118 0.000 0.930 1133 L CB 0.250 42.367 42.059 0.098 0.000 1.183 1133 L HN 0.170 nan 8.230 nan 0.000 0.492 1134 E N 3.336 123.615 120.200 0.131 0.000 2.290 1134 E HA 0.006 4.356 4.350 0.000 0.000 0.199 1134 E C -0.819 175.865 176.600 0.140 0.000 0.912 1134 E CA 0.186 56.668 56.400 0.137 0.000 0.924 1134 E CB 0.490 30.249 29.700 0.099 0.000 0.901 1134 E HN 0.520 nan 8.360 nan 0.000 0.487 1135 Y N 0.993 121.300 120.300 0.011 0.000 2.338 1135 Y HA 0.390 4.940 4.550 0.000 0.000 0.333 1135 Y C -1.460 174.443 175.900 0.005 0.000 0.968 1135 Y CA -1.545 56.553 58.100 -0.004 0.000 1.123 1135 Y CB 1.159 39.596 38.460 -0.039 0.000 1.165 1135 Y HN -0.119 nan 8.280 nan 0.000 0.452 1136 L N 6.577 127.860 121.223 0.101 0.000 2.335 1136 L HA 0.674 5.014 4.340 0.000 0.000 0.268 1136 L C -0.187 176.764 176.870 0.135 0.000 1.037 1136 L CA -0.216 54.705 54.840 0.135 0.000 0.895 1136 L CB 0.616 42.707 42.059 0.053 0.000 1.266 1136 L HN 0.801 nan 8.230 nan 0.000 0.439 1137 G N 3.803 112.817 108.800 0.357 0.000 2.607 1137 G HA2 0.493 4.453 3.960 0.000 0.000 0.332 1137 G HA3 0.493 4.453 3.960 0.000 0.000 0.332 1137 G C 0.063 175.057 174.900 0.157 0.000 1.046 1137 G CA 0.035 45.341 45.100 0.344 0.000 1.099 1137 G HN 0.764 nan 8.290 nan 0.000 0.451 1138 V N 0.516 120.491 119.914 0.101 0.000 2.925 1138 V HA 0.353 4.473 4.120 0.000 0.000 0.361 1138 V C 0.797 176.922 176.094 0.052 0.000 1.361 1138 V CA -0.131 62.208 62.300 0.065 0.000 1.184 1138 V CB -0.690 31.165 31.823 0.053 0.000 1.245 1138 V HN 0.626 nan 8.190 nan 0.000 0.575 1139 S N 0.595 116.329 115.700 0.056 0.000 2.584 1139 S HA 0.266 4.736 4.470 0.000 0.000 0.270 1139 S C 0.618 175.238 174.600 0.033 0.000 1.346 1139 S CA 0.296 58.521 58.200 0.042 0.000 1.018 1139 S CB 0.020 63.244 63.200 0.040 0.000 0.899 1139 S HN 0.775 nan 8.310 nan 0.000 0.542 1140 N N 1.805 120.521 118.700 0.027 0.000 2.696 1140 N HA -0.144 4.596 4.740 0.000 0.000 0.256 1140 N C -0.787 174.737 175.510 0.024 0.000 1.031 1140 N CA 0.750 53.814 53.050 0.023 0.000 0.730 1140 N CB -1.628 36.871 38.487 0.020 0.000 0.894 1140 N HN 0.724 nan 8.380 nan 0.000 0.544 1141 N N 0.117 118.832 118.700 0.025 0.000 3.439 1141 N HA 0.299 5.040 4.740 0.000 0.000 0.343 1141 N C -0.010 175.514 175.510 0.023 0.000 1.597 1141 N CA -0.394 52.670 53.050 0.024 0.000 0.733 1141 N CB 0.619 39.122 38.487 0.027 0.000 1.973 1141 N HN 0.142 nan 8.380 nan 0.000 0.646 1142 Q N 0.779 120.593 119.800 0.022 0.000 2.155 1142 Q HA 0.412 4.752 4.340 0.000 0.000 0.273 1142 Q C -0.641 175.371 176.000 0.020 0.000 0.857 1142 Q CA -0.161 55.654 55.803 0.021 0.000 1.116 1142 Q CB 0.530 29.280 28.738 0.020 0.000 1.209 1142 Q HN 0.323 nan 8.270 nan 0.000 0.460 1143 L N 1.781 123.017 121.223 0.022 0.000 2.584 1143 L HA -0.041 4.300 4.340 0.000 0.000 0.272 1143 L C 1.277 178.158 176.870 0.019 0.000 1.195 1143 L CA 0.413 55.266 54.840 0.021 0.000 0.920 1143 L CB 0.367 42.440 42.059 0.023 0.000 1.173 1143 L HN 0.338 nan 8.230 nan 0.000 0.489 1144 E N 3.589 123.800 120.200 0.017 0.000 2.250 1144 E HA 0.007 4.357 4.350 0.000 0.000 0.192 1144 E C 0.012 176.620 176.600 0.014 0.000 0.986 1144 E CA 0.559 56.968 56.400 0.015 0.000 0.849 1144 E CB 0.394 30.102 29.700 0.014 0.000 0.797 1144 E HN 0.633 nan 8.360 nan 0.000 0.482 1145 K N -0.012 120.397 120.400 0.015 0.000 2.579 1145 K HA 0.506 4.826 4.320 0.000 0.000 0.284 1145 K C -1.159 175.451 176.600 0.016 0.000 0.990 1145 K CA -0.698 55.597 56.287 0.014 0.000 0.880 1145 K CB 1.493 34.000 32.500 0.013 0.000 1.488 1145 K HN -0.162 nan 8.250 nan 0.000 0.425 1146 L N 1.505 122.737 121.223 0.016 0.000 2.330 1146 L HA 0.582 4.922 4.340 0.000 0.000 0.271 1146 L C -2.072 174.808 176.870 0.016 0.000 1.013 1146 L CA -2.230 52.620 54.840 0.018 0.000 0.816 1146 L CB 1.943 44.013 42.059 0.018 0.000 1.287 1146 L HN 0.650 nan 8.230 nan 0.000 0.435 1147 P HA 0.044 nan 4.420 nan 0.000 0.274 1147 P C -0.792 176.518 177.300 0.015 0.000 1.256 1147 P CA -0.532 62.578 63.100 0.017 0.000 0.795 1147 P CB 0.612 32.324 31.700 0.020 0.000 1.038 1148 E N 0.106 120.313 120.200 0.013 0.000 2.481 1148 E HA -0.037 4.313 4.350 0.000 0.000 0.263 1148 E C 0.120 176.727 176.600 0.012 0.000 0.992 1148 E CA 0.156 56.562 56.400 0.010 0.000 0.938 1148 E CB 0.050 29.755 29.700 0.008 0.000 0.933 1148 E HN 0.351 nan 8.360 nan 0.000 0.453 1149 L N 3.308 124.536 121.223 0.009 0.000 2.685 1149 L HA 0.014 4.355 4.340 0.000 0.000 0.235 1149 L C 2.362 179.235 176.870 0.004 0.000 1.070 1149 L CA 0.030 54.876 54.840 0.011 0.000 0.888 1149 L CB -0.238 41.830 42.059 0.014 0.000 1.203 1149 L HN 0.649 nan 8.230 nan 0.000 0.499 1150 Q N 0.390 120.190 119.800 -0.001 0.000 2.297 1150 Q HA -0.160 4.181 4.340 0.000 0.000 0.208 1150 Q C 0.725 176.714 176.000 -0.019 0.000 0.981 1150 Q CA 1.541 57.340 55.803 -0.007 0.000 0.876 1150 Q CB -0.333 28.401 28.738 -0.007 0.000 0.921 1150 Q HN 0.431 nan 8.270 nan 0.000 0.446 1151 N N 0.515 119.204 118.700 -0.018 0.000 2.268 1151 N HA 0.081 4.821 4.740 0.000 0.000 0.204 1151 N C -0.600 174.883 175.510 -0.045 0.000 1.124 1151 N CA 0.133 53.164 53.050 -0.031 0.000 0.838 1151 N CB 0.838 39.315 38.487 -0.018 0.000 0.994 1151 N HN 0.078 nan 8.380 nan 0.000 0.489 1152 S N 0.560 116.239 115.700 -0.036 0.000 3.036 1152 S HA 0.135 4.605 4.470 0.000 0.000 0.301 1152 S C 1.203 175.732 174.600 -0.119 0.000 1.205 1152 S CA -0.396 57.786 58.200 -0.031 0.000 0.999 1152 S CB 0.446 63.657 63.200 0.018 0.000 1.337 1152 S HN 0.141 nan 8.310 nan 0.000 0.515 1153 S N 1.616 117.141 115.700 -0.290 0.000 2.440 1153 S HA -0.107 4.363 4.470 0.000 0.000 0.240 1153 S C 0.613 174.753 174.600 -0.767 0.000 1.014 1153 S CA 1.397 59.235 58.200 -0.603 0.000 0.980 1153 S CB -0.211 62.428 63.200 -0.935 0.000 0.775 1153 S HN 0.761 nan 8.310 nan 0.000 0.499 1154 F N -0.154 119.801 119.950 0.008 0.000 2.706 1154 F HA 0.418 4.945 4.527 0.000 0.000 0.313 1154 F C 0.395 176.197 175.800 0.003 0.000 1.096 1154 F CA -0.675 57.323 58.000 -0.004 0.000 1.219 1154 F CB 0.062 39.056 39.000 -0.010 0.000 1.051 1154 F HN 0.009 nan 8.300 nan 0.000 0.568 1155 L N 2.386 123.674 121.223 0.107 0.000 2.600 1155 L HA 0.035 4.375 4.340 0.000 0.000 0.278 1155 L C 0.958 177.865 176.870 0.063 0.000 1.139 1155 L CA 0.444 55.333 54.840 0.081 0.000 0.933 1155 L CB 0.573 42.662 42.059 0.051 0.000 1.266 1155 L HN 0.276 nan 8.230 nan 0.000 0.471 1156 K N 3.630 124.065 120.400 0.058 0.000 2.214 1156 K HA 0.213 4.533 4.320 0.000 0.000 0.201 1156 K C -0.218 176.402 176.600 0.033 0.000 1.049 1156 K CA 0.444 56.760 56.287 0.047 0.000 0.978 1156 K CB 0.566 33.086 32.500 0.033 0.000 0.842 1156 K HN 0.346 nan 8.250 nan 0.000 0.474 1157 I N 1.446 121.976 120.570 -0.067 0.000 2.389 1157 I HA 0.221 4.391 4.170 0.000 0.000 0.288 1157 I C -1.112 174.875 176.117 -0.217 0.000 0.999 1157 I CA -0.580 60.609 61.300 -0.186 0.000 1.129 1157 I CB 1.688 39.280 38.000 -0.680 0.000 1.288 1157 I HN -0.086 nan 8.210 nan 0.000 0.444 1158 I N 5.795 126.362 120.570 -0.005 0.000 2.411 1158 I HA 0.329 4.499 4.170 0.000 0.000 0.284 1158 I C -0.590 175.561 176.117 0.057 0.000 1.012 1158 I CA -0.334 60.961 61.300 -0.009 0.000 1.119 1158 I CB 1.399 39.414 38.000 0.025 0.000 1.261 1158 I HN 0.372 nan 8.210 nan 0.000 0.448 1159 D N 6.127 126.530 120.400 0.005 0.000 2.464 1159 D HA 0.319 4.959 4.640 0.000 0.000 0.243 1159 D C 0.185 176.518 176.300 0.055 0.000 1.104 1159 D CA -0.262 53.782 54.000 0.073 0.000 0.883 1159 D CB 1.326 42.161 40.800 0.059 0.000 1.050 1159 D HN 0.278 nan 8.370 nan 0.000 0.524 1160 V N 1.037 120.978 119.914 0.046 0.000 3.085 1160 V HA 0.293 4.413 4.120 0.000 0.000 0.345 1160 V C 0.556 176.670 176.094 0.033 0.000 1.397 1160 V CA -0.823 61.499 62.300 0.037 0.000 1.165 1160 V CB 0.016 31.857 31.823 0.030 0.000 1.153 1160 V HN 0.408 nan 8.190 nan 0.000 0.495 1161 D N 2.348 122.769 120.400 0.035 0.000 2.449 1161 D HA -0.094 4.546 4.640 0.000 0.000 0.236 1161 D C 0.537 176.854 176.300 0.027 0.000 1.149 1161 D CA 0.731 54.748 54.000 0.029 0.000 0.878 1161 D CB 0.345 41.156 40.800 0.019 0.000 1.198 1161 D HN 0.474 nan 8.370 nan 0.000 0.446 1162 N N 2.461 121.177 118.700 0.026 0.000 2.648 1162 N HA -0.179 4.561 4.740 0.000 0.000 0.265 1162 N C -1.293 174.232 175.510 0.024 0.000 1.100 1162 N CA 0.530 53.595 53.050 0.025 0.000 0.715 1162 N CB -0.914 37.587 38.487 0.023 0.000 0.881 1162 N HN 0.564 nan 8.380 nan 0.000 0.548 1163 N N -1.031 117.683 118.700 0.023 0.000 3.479 1163 N HA 0.353 5.094 4.740 0.000 0.000 0.336 1163 N C -0.532 174.990 175.510 0.020 0.000 1.623 1163 N CA -0.390 52.673 53.050 0.022 0.000 0.759 1163 N CB 0.637 39.138 38.487 0.023 0.000 2.016 1163 N HN 0.079 nan 8.380 nan 0.000 0.637 1164 S N 0.570 116.282 115.700 0.019 0.000 2.661 1164 S HA 0.391 4.861 4.470 0.000 0.000 0.245 1164 S C -0.016 174.593 174.600 0.015 0.000 1.117 1164 S CA -0.385 57.825 58.200 0.017 0.000 1.091 1164 S CB -0.260 62.950 63.200 0.016 0.000 0.887 1164 S HN 0.236 nan 8.310 nan 0.000 0.491 1165 L N 2.029 123.262 121.223 0.016 0.000 2.418 1165 L HA 0.281 4.622 4.340 0.000 0.000 0.274 1165 L C 1.379 178.256 176.870 0.012 0.000 1.135 1165 L CA -0.269 54.580 54.840 0.014 0.000 0.870 1165 L CB 0.491 42.559 42.059 0.015 0.000 1.154 1165 L HN 0.075 nan 8.230 nan 0.000 0.462 1166 K N 2.594 123.000 120.400 0.010 0.000 2.284 1166 K HA 0.191 4.511 4.320 0.000 0.000 0.198 1166 K C 0.068 176.672 176.600 0.007 0.000 1.048 1166 K CA 0.711 57.003 56.287 0.008 0.000 0.987 1166 K CB 0.456 32.960 32.500 0.008 0.000 0.800 1166 K HN 0.546 nan 8.250 nan 0.000 0.486 1167 K N 0.331 120.736 120.400 0.007 0.000 2.551 1167 K HA 0.437 4.757 4.320 0.000 0.000 0.269 1167 K C -0.996 175.608 176.600 0.006 0.000 0.949 1167 K CA -0.596 55.695 56.287 0.005 0.000 0.849 1167 K CB 2.302 34.805 32.500 0.004 0.000 1.411 1167 K HN -0.167 nan 8.250 nan 0.000 0.432 1168 L N 2.608 123.833 121.223 0.004 0.000 2.317 1168 L HA 0.484 4.824 4.340 0.000 0.000 0.281 1168 L C -2.274 174.598 176.870 0.004 0.000 1.024 1168 L CA -2.116 52.727 54.840 0.005 0.000 0.810 1168 L CB 1.557 43.617 42.059 0.002 0.000 1.240 1168 L HN 0.311 nan 8.230 nan 0.000 0.427 1169 P HA 0.047 nan 4.420 nan 0.000 0.272 1169 P C -1.004 176.297 177.300 0.002 0.000 1.240 1169 P CA -0.468 62.634 63.100 0.004 0.000 0.791 1169 P CB 0.430 32.134 31.700 0.007 0.000 0.978 1170 D N 0.323 120.724 120.400 0.000 0.000 2.449 1170 D HA 0.040 4.680 4.640 0.000 0.000 0.236 1170 D C 0.240 176.540 176.300 -0.000 0.000 1.149 1170 D CA 0.481 54.480 54.000 -0.002 0.000 0.878 1170 D CB 0.225 41.023 40.800 -0.004 0.000 1.198 1170 D HN 0.171 nan 8.370 nan 0.000 0.446 1171 L N 3.361 124.583 121.223 -0.000 0.000 2.375 1171 L HA 0.318 4.658 4.340 0.000 0.000 0.271 1171 L C -1.892 174.981 176.870 0.005 0.000 1.107 1171 L CA -1.759 53.084 54.840 0.004 0.000 0.806 1171 L CB 0.839 42.901 42.059 0.005 0.000 1.146 1171 L HN 0.164 nan 8.230 nan 0.000 0.447 1172 P HA 0.177 nan 4.420 nan 0.000 0.279 1172 P C -2.427 174.890 177.300 0.028 0.000 1.239 1172 P CA -1.743 61.361 63.100 0.007 0.000 0.789 1172 P CB 0.854 32.555 31.700 0.001 0.000 0.933 1173 P HA -0.156 nan 4.420 nan 0.000 0.220 1173 P C 1.526 178.934 177.300 0.181 0.000 1.144 1173 P CA 1.598 64.733 63.100 0.059 0.000 0.800 1173 P CB -0.260 31.463 31.700 0.038 0.000 0.772 1174 S N -1.743 114.039 115.700 0.136 0.000 2.522 1174 S HA -0.001 4.469 4.470 0.000 0.000 0.227 1174 S C 0.819 175.514 174.600 0.158 0.000 0.986 1174 S CA -0.170 58.125 58.200 0.158 0.000 0.929 1174 S CB -1.081 62.132 63.200 0.022 0.000 0.769 1174 S HN -0.007 nan 8.310 nan 0.000 0.529 1175 L N 2.985 124.284 121.223 0.128 0.000 2.628 1175 L HA 0.114 4.454 4.340 0.000 0.000 0.274 1175 L C 0.861 177.824 176.870 0.155 0.000 1.209 1175 L CA 0.754 55.660 54.840 0.110 0.000 0.930 1175 L CB -0.032 42.070 42.059 0.071 0.000 1.183 1175 L HN 0.239 nan 8.230 nan 0.000 0.492 1176 E N 4.461 124.754 120.200 0.155 0.000 2.399 1176 E HA 0.102 4.452 4.350 0.000 0.000 0.205 1176 E C -0.704 176.032 176.600 0.225 0.000 0.906 1176 E CA 0.107 56.616 56.400 0.183 0.000 0.998 1176 E CB 0.684 30.471 29.700 0.147 0.000 1.002 1176 E HN 0.434 nan 8.360 nan 0.000 0.501 1177 F N 1.359 121.317 119.950 0.014 0.000 2.588 1177 F HA 0.491 5.018 4.527 0.000 0.000 0.318 1177 F C -1.841 173.953 175.800 -0.010 0.000 1.155 1177 F CA -1.138 56.872 58.000 0.017 0.000 0.967 1177 F CB 1.503 40.498 39.000 -0.008 0.000 1.236 1177 F HN -0.217 nan 8.300 nan 0.000 0.455 1178 I N 5.586 125.980 120.570 -0.292 0.000 2.512 1178 I HA 0.773 4.943 4.170 0.000 0.000 0.287 1178 I C -1.536 174.384 176.117 -0.329 0.000 1.069 1178 I CA -0.545 60.657 61.300 -0.163 0.000 1.056 1178 I CB 1.523 39.484 38.000 -0.064 0.000 1.229 1178 I HN 0.842 nan 8.210 nan 0.000 0.429 1179 A N 5.658 128.388 122.820 -0.151 0.000 2.267 1179 A HA 0.814 5.134 4.320 0.000 0.000 0.315 1179 A C 0.086 177.676 177.584 0.011 0.000 1.297 1179 A CA -0.121 51.879 52.037 -0.063 0.000 0.865 1179 A CB 1.104 20.089 19.000 -0.024 0.000 1.165 1179 A HN 0.942 nan 8.150 nan 0.000 0.513 1180 A N 2.621 125.452 122.820 0.019 0.000 2.594 1180 A HA 0.583 4.904 4.320 0.000 0.000 0.292 1180 A C 0.916 178.518 177.584 0.030 0.000 1.026 1180 A CA 0.379 52.428 52.037 0.020 0.000 0.983 1180 A CB -0.354 18.650 19.000 0.007 0.000 1.233 1180 A HN 1.345 nan 8.150 nan 0.000 0.519 1181 G N -0.318 108.511 108.800 0.049 0.000 2.636 1181 G HA2 0.325 4.285 3.960 0.000 0.000 0.246 1181 G HA3 0.325 4.285 3.960 0.000 0.000 0.246 1181 G C 0.420 175.344 174.900 0.041 0.000 1.216 1181 G CA 0.286 45.419 45.100 0.055 0.000 0.854 1181 G HN 0.727 nan 8.290 nan 0.000 0.572 1182 N N 0.012 118.736 118.700 0.040 0.000 2.696 1182 N HA -0.186 4.554 4.740 0.000 0.000 0.256 1182 N C -0.144 175.382 175.510 0.027 0.000 1.031 1182 N CA 0.418 53.488 53.050 0.034 0.000 0.730 1182 N CB -0.712 37.795 38.487 0.033 0.000 0.894 1182 N HN 0.591 nan 8.380 nan 0.000 0.544 1183 N N -0.040 118.675 118.700 0.025 0.000 3.455 1183 N HA 0.277 5.017 4.740 0.000 0.000 0.358 1183 N C -0.441 175.080 175.510 0.018 0.000 1.580 1183 N CA -0.257 52.805 53.050 0.021 0.000 0.692 1183 N CB 0.609 39.108 38.487 0.019 0.000 1.978 1183 N HN 0.265 nan 8.380 nan 0.000 0.651 1184 Q N 0.795 120.604 119.800 0.015 0.000 2.129 1184 Q HA 0.419 4.759 4.340 0.000 0.000 0.274 1184 Q C -0.688 175.318 176.000 0.010 0.000 0.854 1184 Q CA -0.133 55.677 55.803 0.013 0.000 1.123 1184 Q CB 0.592 29.337 28.738 0.012 0.000 1.226 1184 Q HN 0.307 nan 8.270 nan 0.000 0.454 1185 L N 1.213 122.442 121.223 0.011 0.000 2.462 1185 L HA 0.049 4.389 4.340 0.000 0.000 0.272 1185 L C 1.066 177.940 176.870 0.006 0.000 1.166 1185 L CA 0.538 55.383 54.840 0.008 0.000 0.880 1185 L CB 0.523 42.586 42.059 0.007 0.000 1.142 1185 L HN 0.330 nan 8.230 nan 0.000 0.473 1186 E N 1.746 121.948 120.200 0.004 0.000 2.431 1186 E HA 0.123 4.473 4.350 0.000 0.000 0.200 1186 E C -0.300 176.301 176.600 0.000 0.000 0.995 1186 E CA 0.266 56.667 56.400 0.002 0.000 0.915 1186 E CB 0.686 30.387 29.700 0.002 0.000 0.930 1186 E HN 0.643 nan 8.360 nan 0.000 0.496 1187 E N 0.225 120.425 120.200 -0.000 0.000 2.412 1187 E HA 0.409 4.759 4.350 0.000 0.000 0.279 1187 E C -1.260 175.338 176.600 -0.003 0.000 0.984 1187 E CA -0.494 55.904 56.400 -0.002 0.000 0.788 1187 E CB 2.227 31.925 29.700 -0.003 0.000 1.277 1187 E HN -0.092 nan 8.360 nan 0.000 0.455 1188 L N 2.346 123.565 121.223 -0.006 0.000 2.334 1188 L HA 0.551 4.891 4.340 0.000 0.000 0.272 1188 L C -2.066 174.799 176.870 -0.009 0.000 1.020 1188 L CA -1.957 52.878 54.840 -0.009 0.000 0.812 1188 L CB 1.364 43.414 42.059 -0.015 0.000 1.264 1188 L HN 0.346 nan 8.230 nan 0.000 0.439 1189 P HA 0.013 nan 4.420 nan 0.000 0.274 1189 P C -0.751 176.542 177.300 -0.011 0.000 1.260 1189 P CA -0.475 62.620 63.100 -0.008 0.000 0.793 1189 P CB 0.562 32.258 31.700 -0.006 0.000 1.048 1190 E N -0.054 120.140 120.200 -0.011 0.000 2.452 1190 E HA -0.002 4.348 4.350 0.000 0.000 0.261 1190 E C 0.140 176.730 176.600 -0.015 0.000 0.987 1190 E CA 0.094 56.487 56.400 -0.013 0.000 0.926 1190 E CB 0.038 29.730 29.700 -0.013 0.000 0.934 1190 E HN 0.343 nan 8.360 nan 0.000 0.452 1191 L N 3.369 124.581 121.223 -0.018 0.000 2.730 1191 L HA 0.011 4.351 4.340 0.000 0.000 0.236 1191 L C 2.358 179.214 176.870 -0.023 0.000 1.061 1191 L CA -0.043 54.784 54.840 -0.020 0.000 0.898 1191 L CB -0.294 41.751 42.059 -0.023 0.000 1.270 1191 L HN 0.639 nan 8.230 nan 0.000 0.500 1192 Q N 0.633 120.419 119.800 -0.022 0.000 2.325 1192 Q HA -0.199 4.141 4.340 0.000 0.000 0.211 1192 Q C 0.691 176.671 176.000 -0.034 0.000 0.988 1192 Q CA 1.745 57.534 55.803 -0.024 0.000 0.887 1192 Q CB -0.426 28.300 28.738 -0.020 0.000 0.915 1192 Q HN 0.476 nan 8.270 nan 0.000 0.440 1193 N N 0.100 118.778 118.700 -0.037 0.000 2.270 1193 N HA 0.105 4.845 4.740 0.000 0.000 0.198 1193 N C -0.741 174.728 175.510 -0.068 0.000 1.117 1193 N CA 0.080 53.100 53.050 -0.050 0.000 0.845 1193 N CB 0.428 38.892 38.487 -0.038 0.000 0.980 1193 N HN 0.168 nan 8.380 nan 0.000 0.486 1194 L N 3.371 124.557 121.223 -0.061 0.000 2.312 1194 L HA 0.233 4.573 4.340 0.000 0.000 0.287 1194 L C -0.974 175.811 176.870 -0.141 0.000 1.091 1194 L CA -1.867 52.933 54.840 -0.067 0.000 0.846 1194 L CB 0.739 42.786 42.059 -0.020 0.000 1.219 1194 L HN -0.067 nan 8.230 nan 0.000 0.439 1195 P HA -0.142 nan 4.420 nan 0.000 0.222 1195 P C 0.733 177.597 177.300 -0.726 0.000 1.147 1195 P CA 1.481 64.222 63.100 -0.599 0.000 0.790 1195 P CB 0.204 31.352 31.700 -0.921 0.000 0.780 1196 F N -1.799 118.150 119.950 -0.002 0.000 2.688 1196 F HA 0.277 4.804 4.527 0.000 0.000 0.310 1196 F C 0.935 176.739 175.800 0.007 0.000 1.098 1196 F CA -0.897 57.100 58.000 -0.005 0.000 1.228 1196 F CB -0.450 38.549 39.000 -0.002 0.000 1.042 1196 F HN -0.233 nan 8.300 nan 0.000 0.557 1197 L N 2.106 123.392 121.223 0.106 0.000 2.530 1197 L HA 0.171 4.511 4.340 0.000 0.000 0.273 1197 L C 1.312 178.221 176.870 0.064 0.000 1.141 1197 L CA 0.629 55.516 54.840 0.079 0.000 0.905 1197 L CB 0.081 42.156 42.059 0.027 0.000 1.202 1197 L HN 0.318 nan 8.230 nan 0.000 0.473 1198 T N 1.129 115.734 114.554 0.085 0.000 2.990 1198 T HA 0.553 4.903 4.350 0.000 0.000 0.249 1198 T C 0.487 175.211 174.700 0.041 0.000 1.039 1198 T CA 0.302 62.446 62.100 0.073 0.000 1.036 1198 T CB 0.224 69.148 68.868 0.093 0.000 0.994 1198 T HN 0.654 nan 8.240 nan 0.000 0.489 1199 A N 0.988 123.819 122.820 0.017 0.000 2.381 1199 A HA 0.772 5.092 4.320 0.000 0.000 0.299 1199 A C -1.111 176.291 177.584 -0.303 0.000 1.049 1199 A CA -0.860 51.108 52.037 -0.115 0.000 0.715 1199 A CB 1.055 20.108 19.000 0.087 0.000 1.222 1199 A HN 0.468 nan 8.150 nan 0.000 0.428 1200 I N 2.132 122.476 120.570 -0.378 0.000 2.447 1200 I HA 0.359 4.529 4.170 0.000 0.000 0.287 1200 I C -1.559 174.274 176.117 -0.473 0.000 1.023 1200 I CA -0.449 60.654 61.300 -0.328 0.000 1.083 1200 I CB 1.813 39.696 38.000 -0.195 0.000 1.245 1200 I HN 0.641 nan 8.210 nan 0.000 0.434 1201 Y N 4.801 124.914 120.300 -0.312 0.000 2.345 1201 Y HA 0.588 5.138 4.550 0.000 0.000 0.331 1201 Y C 0.514 176.334 175.900 -0.133 0.000 0.959 1201 Y CA -0.598 57.378 58.100 -0.207 0.000 1.204 1201 Y CB 1.982 40.309 38.460 -0.222 0.000 1.135 1201 Y HN 0.627 nan 8.280 nan 0.000 0.477 1202 A N 1.857 124.680 122.820 0.005 0.000 2.569 1202 A HA 0.158 4.478 4.320 0.000 0.000 0.284 1202 A C -0.082 177.517 177.584 0.024 0.000 0.948 1202 A CA -0.551 51.491 52.037 0.009 0.000 1.007 1202 A CB -0.207 18.782 19.000 -0.018 0.000 1.232 1202 A HN 0.713 nan 8.150 nan 0.000 0.530 1203 D N 0.060 120.488 120.400 0.046 0.000 2.362 1203 D HA -0.043 4.597 4.640 0.000 0.000 0.238 1203 D C -0.404 175.928 176.300 0.054 0.000 1.212 1203 D CA -0.052 53.983 54.000 0.059 0.000 0.902 1203 D CB 0.185 41.038 40.800 0.088 0.000 1.180 1203 D HN 0.129 nan 8.370 nan 0.000 0.445 1204 N N 1.009 119.740 118.700 0.052 0.000 2.696 1204 N HA -0.153 4.587 4.740 0.000 0.000 0.256 1204 N C -0.807 174.723 175.510 0.034 0.000 1.031 1204 N CA 0.647 53.724 53.050 0.044 0.000 0.730 1204 N CB -0.897 37.618 38.487 0.047 0.000 0.894 1204 N HN 0.525 nan 8.380 nan 0.000 0.544 1205 N N -0.908 117.809 118.700 0.028 0.000 3.343 1205 N HA 0.341 5.081 4.740 0.000 0.000 0.330 1205 N C -0.293 175.227 175.510 0.017 0.000 1.560 1205 N CA -0.420 52.642 53.050 0.021 0.000 0.752 1205 N CB 0.872 39.369 38.487 0.017 0.000 1.863 1205 N HN -0.072 nan 8.380 nan 0.000 0.636 1206 S N 0.545 116.252 115.700 0.012 0.000 2.592 1206 S HA 0.392 4.862 4.470 0.000 0.000 0.243 1206 S C -0.024 174.580 174.600 0.006 0.000 1.160 1206 S CA -0.396 57.809 58.200 0.009 0.000 1.145 1206 S CB -0.321 62.884 63.200 0.007 0.000 0.909 1206 S HN 0.231 nan 8.310 nan 0.000 0.487 1207 L N 1.864 123.091 121.223 0.007 0.000 2.410 1207 L HA 0.256 4.596 4.340 0.000 0.000 0.273 1207 L C 1.351 178.222 176.870 0.003 0.000 1.144 1207 L CA 0.028 54.871 54.840 0.004 0.000 0.863 1207 L CB 0.528 42.589 42.059 0.003 0.000 1.140 1207 L HN 0.207 nan 8.230 nan 0.000 0.463 1208 K N 2.348 122.748 120.400 -0.000 0.000 2.284 1208 K HA 0.162 4.482 4.320 0.000 0.000 0.198 1208 K C 0.042 176.641 176.600 -0.002 0.000 1.048 1208 K CA 0.653 56.939 56.287 -0.002 0.000 0.987 1208 K CB 0.447 32.945 32.500 -0.005 0.000 0.800 1208 K HN 0.511 nan 8.250 nan 0.000 0.486 1209 K N 0.603 121.002 120.400 -0.002 0.000 2.512 1209 K HA 0.431 4.751 4.320 0.000 0.000 0.263 1209 K C -1.148 175.449 176.600 -0.004 0.000 0.966 1209 K CA -0.634 55.651 56.287 -0.003 0.000 0.851 1209 K CB 2.354 34.851 32.500 -0.005 0.000 1.395 1209 K HN -0.142 nan 8.250 nan 0.000 0.440 1210 L N 2.344 123.563 121.223 -0.006 0.000 2.325 1210 L HA 0.490 4.830 4.340 0.000 0.000 0.278 1210 L C -2.251 174.612 176.870 -0.011 0.000 1.023 1210 L CA -2.157 52.677 54.840 -0.010 0.000 0.811 1210 L CB 1.435 43.487 42.059 -0.012 0.000 1.249 1210 L HN 0.313 nan 8.230 nan 0.000 0.431 1211 P HA 0.029 nan 4.420 nan 0.000 0.271 1211 P C -1.024 176.268 177.300 -0.014 0.000 1.244 1211 P CA -0.437 62.655 63.100 -0.013 0.000 0.793 1211 P CB 0.405 32.097 31.700 -0.015 0.000 0.984 1212 D N 0.417 120.809 120.400 -0.013 0.000 2.472 1212 D HA 0.040 4.680 4.640 0.000 0.000 0.237 1212 D C 0.203 176.494 176.300 -0.015 0.000 1.141 1212 D CA 0.492 54.484 54.000 -0.013 0.000 0.875 1212 D CB 0.308 41.100 40.800 -0.013 0.000 1.192 1212 D HN 0.176 nan 8.370 nan 0.000 0.450 1213 L N 3.738 124.953 121.223 -0.014 0.000 2.375 1213 L HA 0.301 4.641 4.340 0.000 0.000 0.271 1213 L C -1.868 174.997 176.870 -0.008 0.000 1.107 1213 L CA -1.777 53.054 54.840 -0.013 0.000 0.806 1213 L CB 0.794 42.846 42.059 -0.012 0.000 1.146 1213 L HN 0.143 nan 8.230 nan 0.000 0.447 1214 P HA -0.011 nan 4.420 nan 0.000 0.275 1214 P C 0.556 177.874 177.300 0.030 0.000 1.227 1214 P CA -0.473 62.626 63.100 -0.003 0.000 0.781 1214 P CB 1.388 33.080 31.700 -0.013 0.000 0.906 1215 L N 3.879 125.125 121.223 0.038 0.000 2.129 1215 L HA -0.229 4.111 4.340 0.000 0.000 0.212 1215 L C 2.240 179.259 176.870 0.249 0.000 1.087 1215 L CA 2.637 57.537 54.840 0.100 0.000 0.757 1215 L CB -1.202 40.913 42.059 0.092 0.000 0.896 1215 L HN 0.464 nan 8.230 nan 0.000 0.434 1216 S N -1.366 114.425 115.700 0.153 0.000 2.489 1216 S HA -0.029 4.442 4.470 0.000 0.000 0.228 1216 S C 0.912 175.598 174.600 0.142 0.000 0.995 1216 S CA -0.265 58.016 58.200 0.135 0.000 0.934 1216 S CB -0.824 62.380 63.200 0.006 0.000 0.771 1216 S HN 0.243 nan 8.310 nan 0.000 0.522 1217 L N 2.770 124.061 121.223 0.113 0.000 2.601 1217 L HA 0.073 4.413 4.340 0.000 0.000 0.277 1217 L C 0.973 177.911 176.870 0.112 0.000 1.219 1217 L CA 0.851 55.735 54.840 0.073 0.000 0.915 1217 L CB 0.128 42.204 42.059 0.028 0.000 1.160 1217 L HN 0.243 nan 8.230 nan 0.000 0.494 1218 E N 1.402 121.650 120.200 0.080 0.000 2.413 1218 E HA 0.151 4.502 4.350 0.000 0.000 0.203 1218 E C -0.067 176.554 176.600 0.035 0.000 0.957 1218 E CA 0.086 56.543 56.400 0.095 0.000 0.950 1218 E CB 0.695 30.452 29.700 0.094 0.000 0.957 1218 E HN 0.535 nan 8.360 nan 0.000 0.497 1219 S N 0.482 116.168 115.700 -0.025 0.000 2.543 1219 S HA 0.548 5.018 4.470 0.000 0.000 0.271 1219 S C -1.731 172.739 174.600 -0.216 0.000 1.148 1219 S CA -0.676 57.458 58.200 -0.109 0.000 0.914 1219 S CB 1.307 64.425 63.200 -0.137 0.000 1.096 1219 S HN 0.213 nan 8.310 nan 0.000 0.471 1220 I N 4.598 125.043 120.570 -0.209 0.000 2.512 1220 I HA 0.623 4.793 4.170 0.000 0.000 0.287 1220 I C -1.650 174.331 176.117 -0.227 0.000 1.069 1220 I CA -0.606 60.549 61.300 -0.241 0.000 1.056 1220 I CB 1.577 39.508 38.000 -0.116 0.000 1.229 1220 I HN 0.452 nan 8.210 nan 0.000 0.429 1221 V N 7.556 127.242 119.914 -0.379 0.000 2.350 1221 V HA 0.655 4.775 4.120 0.000 0.000 0.285 1221 V C 0.482 176.521 176.094 -0.091 0.000 1.014 1221 V CA -0.095 62.068 62.300 -0.230 0.000 0.831 1221 V CB 1.163 32.715 31.823 -0.452 0.000 1.000 1221 V HN 0.845 nan 8.190 nan 0.000 0.433 1222 A N 3.754 126.582 122.820 0.014 0.000 2.573 1222 A HA 0.662 4.982 4.320 0.000 0.000 0.269 1222 A C 0.764 178.383 177.584 0.058 0.000 0.901 1222 A CA 0.178 52.228 52.037 0.021 0.000 1.066 1222 A CB 0.088 19.088 19.000 0.000 0.000 1.221 1222 A HN 0.862 nan 8.150 nan 0.000 0.483 1223 G N -0.372 108.488 108.800 0.101 0.000 2.636 1223 G HA2 0.357 4.317 3.960 0.000 0.000 0.246 1223 G HA3 0.357 4.317 3.960 0.000 0.000 0.246 1223 G C 0.416 175.364 174.900 0.080 0.000 1.216 1223 G CA 0.033 45.197 45.100 0.107 0.000 0.854 1223 G HN 0.457 nan 8.290 nan 0.000 0.572 1224 N N -0.056 118.685 118.700 0.070 0.000 2.738 1224 N HA -0.148 4.592 4.740 0.000 0.000 0.249 1224 N C 0.081 175.617 175.510 0.042 0.000 1.047 1224 N CA 1.005 54.088 53.050 0.055 0.000 0.707 1224 N CB -0.688 37.836 38.487 0.061 0.000 0.937 1224 N HN 0.620 nan 8.380 nan 0.000 0.545 1225 N N 0.265 118.987 118.700 0.036 0.000 3.255 1225 N HA 0.562 5.302 4.740 0.000 0.000 0.359 1225 N C 0.891 176.412 175.510 0.020 0.000 1.463 1225 N CA -0.361 52.704 53.050 0.025 0.000 0.695 1225 N CB 0.711 39.211 38.487 0.022 0.000 1.581 1225 N HN 0.192 nan 8.380 nan 0.000 0.622 1226 I N -0.462 120.115 120.570 0.012 0.000 2.979 1226 I HA 0.380 4.550 4.170 0.000 0.000 0.337 1226 I C -0.721 175.399 176.117 0.003 0.000 1.453 1226 I CA -0.292 61.011 61.300 0.006 0.000 0.891 1226 I CB 0.053 38.053 38.000 0.000 0.000 1.887 1226 I HN 0.032 nan 8.210 nan 0.000 0.546 1227 L N 2.395 123.623 121.223 0.009 0.000 2.500 1227 L HA 0.178 4.518 4.340 0.000 0.000 0.272 1227 L C 1.407 178.281 176.870 0.006 0.000 1.149 1227 L CA 0.072 54.917 54.840 0.008 0.000 0.897 1227 L CB 0.660 42.727 42.059 0.014 0.000 1.178 1227 L HN 0.371 nan 8.230 nan 0.000 0.473 1228 E N 3.036 123.236 120.200 -0.001 0.000 2.216 1228 E HA -0.062 4.288 4.350 0.000 0.000 0.192 1228 E C 0.168 176.770 176.600 0.003 0.000 0.988 1228 E CA 0.678 57.075 56.400 -0.005 0.000 0.834 1228 E CB 0.271 29.965 29.700 -0.010 0.000 0.772 1228 E HN 0.801 nan 8.360 nan 0.000 0.479 1229 E N -0.661 119.542 120.200 0.005 0.000 2.416 1229 E HA 0.445 4.795 4.350 0.000 0.000 0.280 1229 E C -0.951 175.654 176.600 0.009 0.000 1.055 1229 E CA -0.633 55.772 56.400 0.009 0.000 0.825 1229 E CB 0.901 30.604 29.700 0.005 0.000 1.312 1229 E HN -0.162 nan 8.360 nan 0.000 0.452 1230 L N 1.259 122.488 121.223 0.011 0.000 2.360 1230 L HA 0.541 4.881 4.340 0.000 0.000 0.271 1230 L C -1.886 174.986 176.870 0.003 0.000 1.057 1230 L CA -2.047 52.798 54.840 0.009 0.000 0.803 1230 L CB 1.121 43.188 42.059 0.014 0.000 1.207 1230 L HN 0.525 nan 8.230 nan 0.000 0.445 1231 P HA 0.026 nan 4.420 nan 0.000 0.277 1231 P C -0.801 176.497 177.300 -0.004 0.000 1.276 1231 P CA -0.548 62.550 63.100 -0.004 0.000 0.788 1231 P CB 0.523 32.219 31.700 -0.007 0.000 1.114 1232 E N -0.314 119.883 120.200 -0.007 0.000 2.465 1232 E HA 0.019 4.369 4.350 0.000 0.000 0.260 1232 E C 0.234 176.829 176.600 -0.010 0.000 0.980 1232 E CA 0.092 56.487 56.400 -0.008 0.000 0.927 1232 E CB -0.108 29.586 29.700 -0.011 0.000 0.934 1232 E HN 0.317 nan 8.360 nan 0.000 0.459 1233 L N 3.755 124.972 121.223 -0.010 0.000 2.717 1233 L HA 0.023 4.363 4.340 0.000 0.000 0.239 1233 L C 2.287 179.144 176.870 -0.022 0.000 1.086 1233 L CA -0.064 54.770 54.840 -0.011 0.000 0.897 1233 L CB -0.199 41.858 42.059 -0.003 0.000 1.214 1233 L HN 0.640 nan 8.230 nan 0.000 0.508 1234 Q N 0.365 120.152 119.800 -0.022 0.000 2.297 1234 Q HA -0.147 4.193 4.340 0.000 0.000 0.208 1234 Q C 0.565 176.536 176.000 -0.049 0.000 0.981 1234 Q CA 1.422 57.206 55.803 -0.032 0.000 0.876 1234 Q CB -0.343 28.380 28.738 -0.025 0.000 0.921 1234 Q HN 0.437 nan 8.270 nan 0.000 0.446 1235 N N 0.656 119.328 118.700 -0.047 0.000 2.276 1235 N HA 0.194 4.935 4.740 0.000 0.000 0.212 1235 N C -0.642 174.819 175.510 -0.081 0.000 1.127 1235 N CA 0.234 53.247 53.050 -0.062 0.000 0.834 1235 N CB 0.540 39.001 38.487 -0.044 0.000 1.014 1235 N HN 0.291 nan 8.380 nan 0.000 0.491 1236 L N 2.317 123.491 121.223 -0.081 0.000 2.426 1236 L HA 0.304 4.644 4.340 0.000 0.000 0.255 1236 L C -1.267 175.505 176.870 -0.163 0.000 1.080 1236 L CA -1.335 53.455 54.840 -0.084 0.000 0.960 1236 L CB 1.510 43.553 42.059 -0.026 0.000 1.326 1236 L HN -0.199 nan 8.230 nan 0.000 0.441 1237 P HA -0.136 nan 4.420 nan 0.000 0.222 1237 P C 0.882 177.854 177.300 -0.546 0.000 1.147 1237 P CA 1.305 64.085 63.100 -0.534 0.000 0.790 1237 P CB 0.174 31.387 31.700 -0.813 0.000 0.780 1238 F N -1.430 118.525 119.950 0.008 0.000 2.721 1238 F HA 0.240 4.767 4.527 0.000 0.000 0.301 1238 F C 1.159 176.966 175.800 0.011 0.000 1.096 1238 F CA -0.754 57.254 58.000 0.013 0.000 1.308 1238 F CB -0.664 38.346 39.000 0.017 0.000 1.086 1238 F HN -0.209 nan 8.300 nan 0.000 0.587 1239 L N 2.051 123.337 121.223 0.105 0.000 2.485 1239 L HA 0.180 4.520 4.340 0.000 0.000 0.279 1239 L C 1.221 178.125 176.870 0.057 0.000 1.124 1239 L CA 0.462 55.343 54.840 0.069 0.000 0.888 1239 L CB -0.130 41.946 42.059 0.030 0.000 1.217 1239 L HN 0.277 nan 8.230 nan 0.000 0.464 1240 T N -0.938 113.657 114.554 0.069 0.000 2.990 1240 T HA 0.207 4.557 4.350 0.000 0.000 0.250 1240 T C 0.689 175.429 174.700 0.066 0.000 1.041 1240 T CA 0.125 62.265 62.100 0.067 0.000 1.010 1240 T CB 0.013 68.928 68.868 0.079 0.000 1.003 1240 T HN 0.490 nan 8.240 nan 0.000 0.499 1241 T N 2.159 116.744 114.554 0.052 0.000 2.840 1241 T HA 0.682 5.032 4.350 0.000 0.000 0.287 1241 T C -1.043 173.703 174.700 0.077 0.000 0.991 1241 T CA -0.494 61.648 62.100 0.070 0.000 0.964 1241 T CB 1.380 70.258 68.868 0.017 0.000 0.954 1241 T HN 0.245 nan 8.240 nan 0.000 0.438 1242 I N 3.492 124.150 120.570 0.146 0.000 2.468 1242 I HA 0.375 4.545 4.170 0.000 0.000 0.285 1242 I C -1.420 174.825 176.117 0.213 0.000 1.039 1242 I CA -0.876 60.501 61.300 0.128 0.000 1.074 1242 I CB 1.690 39.731 38.000 0.068 0.000 1.228 1242 I HN 0.550 nan 8.210 nan 0.000 0.436 1243 Y N 4.766 125.042 120.300 -0.041 0.000 2.345 1243 Y HA 0.576 5.127 4.550 0.000 0.000 0.331 1243 Y C 0.466 176.366 175.900 0.000 0.000 0.959 1243 Y CA -0.829 57.268 58.100 -0.005 0.000 1.204 1243 Y CB 2.078 40.518 38.460 -0.034 0.000 1.135 1243 Y HN 0.605 nan 8.280 nan 0.000 0.477 1244 A N 2.624 125.491 122.820 0.079 0.000 2.568 1244 A HA 0.186 4.506 4.320 0.000 0.000 0.287 1244 A C -0.097 177.521 177.584 0.056 0.000 0.967 1244 A CA -0.583 51.492 52.037 0.064 0.000 1.004 1244 A CB -0.316 18.712 19.000 0.046 0.000 1.233 1244 A HN 0.698 nan 8.150 nan 0.000 0.513 1245 D N -0.000 120.434 120.400 0.058 0.000 2.362 1245 D HA -0.059 4.581 4.640 0.000 0.000 0.238 1245 D C -0.424 175.918 176.300 0.070 0.000 1.212 1245 D CA -0.077 53.958 54.000 0.058 0.000 0.902 1245 D CB 0.245 41.083 40.800 0.063 0.000 1.180 1245 D HN 0.132 nan 8.370 nan 0.000 0.445 1246 N N 0.991 119.731 118.700 0.066 0.000 2.705 1246 N HA -0.159 4.581 4.740 0.000 0.000 0.255 1246 N C -0.670 174.870 175.510 0.050 0.000 1.008 1246 N CA 0.657 53.743 53.050 0.060 0.000 0.742 1246 N CB -0.917 37.608 38.487 0.063 0.000 0.906 1246 N HN 0.523 nan 8.380 nan 0.000 0.541 1247 N N -0.107 118.622 118.700 0.048 0.000 3.369 1247 N HA 0.504 5.244 4.740 0.000 0.000 0.362 1247 N C 0.617 176.145 175.510 0.030 0.000 1.523 1247 N CA -0.498 52.573 53.050 0.036 0.000 0.684 1247 N CB 0.439 38.948 38.487 0.036 0.000 1.796 1247 N HN 0.021 nan 8.380 nan 0.000 0.641 1248 L N 1.457 122.692 121.223 0.019 0.000 3.209 1248 L HA 0.425 4.765 4.340 0.000 0.000 0.279 1248 L C -0.403 176.478 176.870 0.017 0.000 1.301 1248 L CA -0.041 54.802 54.840 0.004 0.000 1.004 1248 L CB 0.102 42.149 42.059 -0.021 0.000 1.402 1248 L HN 0.144 nan 8.230 nan 0.000 0.577 1249 L N 0.492 121.741 121.223 0.042 0.000 2.367 1249 L HA 0.132 4.472 4.340 0.000 0.000 0.275 1249 L C 0.853 177.769 176.870 0.078 0.000 1.129 1249 L CA -0.041 54.828 54.840 0.048 0.000 0.839 1249 L CB 0.862 42.950 42.059 0.048 0.000 1.133 1249 L HN 0.201 nan 8.230 nan 0.000 0.453 1250 K N 0.286 120.726 120.400 0.067 0.000 2.370 1250 K HA 0.140 4.460 4.320 0.000 0.000 0.194 1250 K C 0.311 176.929 176.600 0.029 0.000 1.070 1250 K CA 0.242 56.588 56.287 0.099 0.000 0.998 1250 K CB 0.661 33.218 32.500 0.095 0.000 0.911 1250 K HN 0.783 nan 8.250 nan 0.000 0.533 1251 T N -2.460 112.108 114.554 0.024 0.000 2.821 1251 T HA 0.609 4.959 4.350 0.000 0.000 0.306 1251 T C -1.062 173.655 174.700 0.027 0.000 1.313 1251 T CA -1.028 61.081 62.100 0.015 0.000 1.012 1251 T CB 1.087 69.961 68.868 0.011 0.000 1.298 1251 T HN -0.104 nan 8.240 nan 0.000 0.502 1252 L N 1.255 122.498 121.223 0.034 0.000 2.334 1252 L HA 0.620 4.960 4.340 0.000 0.000 0.273 1252 L C -2.322 174.564 176.870 0.025 0.000 1.013 1252 L CA -2.461 52.401 54.840 0.036 0.000 0.816 1252 L CB 2.023 44.113 42.059 0.051 0.000 1.278 1252 L HN 0.515 nan 8.230 nan 0.000 0.431 1253 P HA 0.089 nan 4.420 nan 0.000 0.277 1253 P C -1.132 176.174 177.300 0.011 0.000 1.276 1253 P CA -0.599 62.508 63.100 0.011 0.000 0.788 1253 P CB 0.406 32.110 31.700 0.006 0.000 1.114 1254 D N 0.193 120.596 120.400 0.005 0.000 2.458 1254 D HA 0.042 4.682 4.640 0.000 0.000 0.243 1254 D C 0.385 176.685 176.300 0.001 0.000 1.146 1254 D CA 0.463 54.464 54.000 0.002 0.000 0.877 1254 D CB 0.331 41.128 40.800 -0.005 0.000 1.176 1254 D HN 0.172 nan 8.370 nan 0.000 0.461 1255 L N 3.400 124.625 121.223 0.003 0.000 2.466 1255 L HA 0.202 4.542 4.340 0.000 0.000 0.257 1255 L C -1.998 174.868 176.870 -0.007 0.000 1.189 1255 L CA -1.735 53.108 54.840 0.004 0.000 0.813 1255 L CB -0.062 42.004 42.059 0.012 0.000 1.118 1255 L HN 0.075 nan 8.230 nan 0.000 0.471 1256 P HA 0.007 nan 4.420 nan 0.000 0.267 1256 P C -1.891 175.394 177.300 -0.026 0.000 1.205 1256 P CA -0.930 62.156 63.100 -0.023 0.000 0.765 1256 P CB 0.223 31.916 31.700 -0.010 0.000 0.828 1257 P HA -0.151 nan 4.420 nan 0.000 0.218 1257 P C 0.340 177.622 177.300 -0.032 0.000 1.146 1257 P CA 1.581 64.656 63.100 -0.041 0.000 0.813 1257 P CB 0.138 31.802 31.700 -0.061 0.000 0.778 1258 S N -0.749 114.932 115.700 -0.032 0.000 2.601 1258 S HA 0.179 4.649 4.470 0.000 0.000 0.244 1258 S C 0.500 175.109 174.600 0.016 0.000 1.001 1258 S CA -0.564 57.631 58.200 -0.007 0.000 0.984 1258 S CB -0.635 62.561 63.200 -0.006 0.000 0.842 1258 S HN 0.004 nan 8.310 nan 0.000 0.474 1259 L N 2.658 123.890 121.223 0.015 0.000 2.578 1259 L HA 0.057 4.397 4.340 0.000 0.000 0.279 1259 L C 0.939 177.838 176.870 0.049 0.000 1.227 1259 L CA 1.243 56.105 54.840 0.036 0.000 0.900 1259 L CB 0.376 42.455 42.059 0.034 0.000 1.144 1259 L HN 0.193 nan 8.230 nan 0.000 0.496 1260 E N 3.175 123.419 120.200 0.073 0.000 2.332 1260 E HA 0.338 4.688 4.350 0.000 0.000 0.202 1260 E C -0.337 176.356 176.600 0.154 0.000 0.877 1260 E CA 0.398 56.852 56.400 0.091 0.000 0.979 1260 E CB 0.496 30.251 29.700 0.091 0.000 0.969 1260 E HN 0.690 nan 8.360 nan 0.000 0.495 1261 A N 1.541 124.457 122.820 0.159 0.000 2.335 1261 A HA 0.582 4.902 4.320 0.000 0.000 0.304 1261 A C -1.465 176.248 177.584 0.215 0.000 1.118 1261 A CA -0.502 51.681 52.037 0.243 0.000 0.757 1261 A CB 0.909 19.960 19.000 0.084 0.000 1.188 1261 A HN 0.105 nan 8.150 nan 0.000 0.460 1262 L N 2.992 124.379 121.223 0.273 0.000 2.372 1262 L HA 0.564 4.905 4.340 0.000 0.000 0.273 1262 L C -1.046 175.880 176.870 0.093 0.000 0.989 1262 L CA -0.252 54.666 54.840 0.129 0.000 0.841 1262 L CB 1.539 43.651 42.059 0.089 0.000 1.225 1262 L HN 0.668 nan 8.230 nan 0.000 0.414 1263 N N 4.320 122.927 118.700 -0.155 0.000 2.479 1263 N HA 0.388 5.128 4.740 0.000 0.000 0.261 1263 N C -0.454 174.968 175.510 -0.147 0.000 0.979 1263 N CA -0.241 52.655 53.050 -0.257 0.000 0.930 1263 N CB 1.747 39.645 38.487 -0.982 0.000 1.172 1263 N HN 0.466 nan 8.380 nan 0.000 0.499 1264 V N 1.667 121.568 119.914 -0.021 0.000 2.909 1264 V HA 0.426 4.546 4.120 0.000 0.000 0.362 1264 V C 0.750 176.880 176.094 0.060 0.000 1.356 1264 V CA -0.847 61.471 62.300 0.031 0.000 1.195 1264 V CB -0.584 31.281 31.823 0.070 0.000 1.256 1264 V HN 0.530 nan 8.190 nan 0.000 0.567 1265 R N 1.497 122.023 120.500 0.042 0.000 2.583 1265 R HA -0.003 4.337 4.340 0.000 0.000 0.274 1265 R C 0.328 176.672 176.300 0.072 0.000 0.998 1265 R CA 1.079 57.218 56.100 0.066 0.000 1.081 1265 R CB -0.040 30.301 30.300 0.068 0.000 0.940 1265 R HN 0.607 nan 8.270 nan 0.000 0.413 1266 D N 2.085 122.532 120.400 0.079 0.000 3.357 1266 D HA -0.184 4.456 4.640 0.000 0.000 0.238 1266 D C -1.466 174.881 176.300 0.079 0.000 1.126 1266 D CA 0.972 55.017 54.000 0.075 0.000 0.984 1266 D CB -0.679 40.160 40.800 0.066 0.000 0.925 1266 D HN 0.701 nan 8.370 nan 0.000 0.414 1267 N N 0.214 118.967 118.700 0.089 0.000 3.387 1267 N HA 0.249 4.989 4.740 0.000 0.000 0.322 1267 N C -0.809 174.783 175.510 0.137 0.000 1.588 1267 N CA -0.455 52.655 53.050 0.101 0.000 0.778 1267 N CB 0.278 38.814 38.487 0.082 0.000 1.883 1267 N HN 0.135 nan 8.380 nan 0.000 0.628 1268 Y N 1.383 121.650 120.300 -0.055 0.000 2.722 1268 Y HA 0.485 5.035 4.550 0.000 0.000 0.314 1268 Y C -0.471 175.328 175.900 -0.169 0.000 1.008 1268 Y CA -0.193 57.850 58.100 -0.094 0.000 1.294 1268 Y CB -0.184 38.234 38.460 -0.069 0.000 1.231 1268 Y HN 0.240 nan 8.280 nan 0.000 0.558 1269 L N 0.615 121.688 121.223 -0.250 0.000 2.331 1269 L HA 0.199 4.539 4.340 0.000 0.000 0.278 1269 L C 1.289 177.538 176.870 -1.035 0.000 1.106 1269 L CA 0.121 54.679 54.840 -0.471 0.000 0.824 1269 L CB 1.332 43.222 42.059 -0.281 0.000 1.142 1269 L HN 0.165 nan 8.230 nan 0.000 0.443 1270 T N 0.081 114.157 114.554 -0.798 0.000 2.969 1270 T HA 0.132 4.482 4.350 0.000 0.000 0.250 1270 T C 0.227 174.593 174.700 -0.557 0.000 1.021 1270 T CA 0.225 61.877 62.100 -0.746 0.000 1.003 1270 T CB 0.181 68.823 68.868 -0.377 0.000 1.040 1270 T HN 0.615 nan 8.240 nan 0.000 0.492 1271 D N 0.044 120.249 120.400 -0.324 0.000 2.579 1271 D HA 0.480 5.120 4.640 0.000 0.000 0.257 1271 D C -1.212 175.239 176.300 0.252 0.000 1.176 1271 D CA -0.457 53.613 54.000 0.115 0.000 0.914 1271 D CB 2.149 42.972 40.800 0.039 0.000 1.431 1271 D HN 0.182 nan 8.370 nan 0.000 0.454 1272 L N 1.191 122.579 121.223 0.277 0.000 2.370 1272 L HA 0.458 4.798 4.340 0.000 0.000 0.266 1272 L C -2.105 174.819 176.870 0.090 0.000 1.002 1272 L CA -1.531 53.421 54.840 0.186 0.000 0.818 1272 L CB 2.325 44.469 42.059 0.143 0.000 1.325 1272 L HN 0.172 nan 8.230 nan 0.000 0.418 1273 P HA 0.106 nan 4.420 nan 0.000 0.277 1273 P C -0.713 176.601 177.300 0.023 0.000 1.276 1273 P CA -0.557 62.563 63.100 0.034 0.000 0.788 1273 P CB 0.531 32.246 31.700 0.026 0.000 1.114 1274 E N 0.050 120.257 120.200 0.012 0.000 2.529 1274 E HA 0.029 4.380 4.350 0.000 0.000 0.259 1274 E C -0.136 176.464 176.600 -0.000 0.000 0.966 1274 E CA 0.440 56.841 56.400 0.002 0.000 0.937 1274 E CB -0.010 29.689 29.700 -0.002 0.000 0.923 1274 E HN 0.306 nan 8.360 nan 0.000 0.468 1275 L N 5.956 127.174 121.223 -0.008 0.000 2.276 1275 L HA 0.262 4.602 4.340 0.000 0.000 0.286 1275 L C -1.964 174.898 176.870 -0.014 0.000 1.061 1275 L CA -2.004 52.830 54.840 -0.011 0.000 0.807 1275 L CB 0.754 42.798 42.059 -0.025 0.000 1.177 1275 L HN 0.178 nan 8.230 nan 0.000 0.429 1276 P HA 0.001 nan 4.420 nan 0.000 0.265 1276 P C -0.019 177.269 177.300 -0.019 0.000 1.193 1276 P CA 0.031 63.124 63.100 -0.012 0.000 0.765 1276 P CB 0.510 32.207 31.700 -0.005 0.000 0.823 1277 Q N 1.045 120.831 119.800 -0.024 0.000 2.437 1277 Q HA -0.092 4.248 4.340 0.000 0.000 0.210 1277 Q C 1.481 177.456 176.000 -0.042 0.000 0.972 1277 Q CA 1.223 57.005 55.803 -0.034 0.000 0.903 1277 Q CB -0.210 28.510 28.738 -0.030 0.000 0.967 1277 Q HN 0.548 nan 8.270 nan 0.000 0.486 1278 S N -0.177 115.507 115.700 -0.026 0.000 2.561 1278 S HA -0.003 4.468 4.470 0.000 0.000 0.225 1278 S C 0.650 175.238 174.600 -0.020 0.000 0.977 1278 S CA -0.239 57.949 58.200 -0.021 0.000 0.926 1278 S CB -0.026 63.175 63.200 0.002 0.000 0.769 1278 S HN 0.194 nan 8.310 nan 0.000 0.533 1279 L N 4.073 125.286 121.223 -0.017 0.000 2.500 1279 L HA 0.241 4.581 4.340 0.000 0.000 0.272 1279 L C 1.257 178.109 176.870 -0.029 0.000 1.149 1279 L CA 0.731 55.575 54.840 0.008 0.000 0.897 1279 L CB 0.495 42.559 42.059 0.008 0.000 1.178 1279 L HN 0.427 nan 8.230 nan 0.000 0.473 1280 T N 1.459 116.026 114.554 0.022 0.000 2.971 1280 T HA 0.205 4.555 4.350 0.000 0.000 0.252 1280 T C 0.130 174.958 174.700 0.214 0.000 1.022 1280 T CA -0.077 62.004 62.100 -0.032 0.000 0.980 1280 T CB -0.086 68.737 68.868 -0.075 0.000 1.044 1280 T HN 0.224 nan 8.240 nan 0.000 0.501 1281 F N 1.933 121.951 119.950 0.114 0.000 2.499 1281 F HA 0.735 5.262 4.527 0.000 0.000 0.333 1281 F C -1.720 174.174 175.800 0.156 0.000 1.138 1281 F CA -2.107 56.017 58.000 0.207 0.000 0.945 1281 F CB 1.804 40.896 39.000 0.154 0.000 1.181 1281 F HN 0.039 nan 8.300 nan 0.000 0.435 1282 L N 6.812 127.956 121.223 -0.130 0.000 2.404 1282 L HA 0.501 4.841 4.340 0.000 0.000 0.272 1282 L C -1.725 174.991 176.870 -0.257 0.000 0.980 1282 L CA -0.161 54.614 54.840 -0.107 0.000 0.836 1282 L CB 1.411 43.400 42.059 -0.118 0.000 1.238 1282 L HN 0.588 nan 8.230 nan 0.000 0.408 1283 D N 4.061 124.398 120.400 -0.105 0.000 2.462 1283 D HA 0.337 4.977 4.640 0.000 0.000 0.245 1283 D C 0.064 176.344 176.300 -0.034 0.000 1.122 1283 D CA -0.114 53.844 54.000 -0.070 0.000 0.864 1283 D CB 1.680 42.539 40.800 0.098 0.000 1.098 1283 D HN 0.387 nan 8.370 nan 0.000 0.541 1284 V N 1.595 121.462 119.914 -0.079 0.000 3.070 1284 V HA 0.285 4.405 4.120 0.000 0.000 0.345 1284 V C 0.702 176.839 176.094 0.072 0.000 1.403 1284 V CA -0.371 61.935 62.300 0.009 0.000 1.155 1284 V CB -0.586 31.113 31.823 -0.208 0.000 1.140 1284 V HN 0.420 nan 8.190 nan 0.000 0.505 1285 S N 0.402 116.118 115.700 0.026 0.000 2.576 1285 S HA 0.274 4.744 4.470 0.000 0.000 0.272 1285 S C 0.497 175.147 174.600 0.083 0.000 1.352 1285 S CA 0.545 58.771 58.200 0.044 0.000 1.021 1285 S CB 0.318 63.537 63.200 0.031 0.000 0.887 1285 S HN 0.731 nan 8.310 nan 0.000 0.542 1286 E N 0.363 120.607 120.200 0.074 0.000 2.360 1286 E HA -0.221 4.130 4.350 0.000 0.000 0.238 1286 E C -0.164 176.481 176.600 0.074 0.000 1.186 1286 E CA 0.458 56.897 56.400 0.065 0.000 0.719 1286 E CB -1.522 28.212 29.700 0.057 0.000 1.236 1286 E HN 0.662 nan 8.360 nan 0.000 0.386 1287 N N -0.072 118.685 118.700 0.096 0.000 3.255 1287 N HA 0.557 5.297 4.740 0.000 0.000 0.359 1287 N C 0.619 176.066 175.510 -0.106 0.000 1.463 1287 N CA -0.240 52.817 53.050 0.012 0.000 0.695 1287 N CB 0.705 39.256 38.487 0.107 0.000 1.581 1287 N HN 0.151 nan 8.380 nan 0.000 0.622 1288 I N -1.364 118.989 120.570 -0.361 0.000 3.176 1288 I HA 0.434 4.604 4.170 0.000 0.000 0.339 1288 I C -0.998 174.908 176.117 -0.352 0.000 1.505 1288 I CA -0.422 60.664 61.300 -0.356 0.000 0.969 1288 I CB -0.343 37.317 38.000 -0.567 0.000 1.636 1288 I HN 0.041 nan 8.210 nan 0.000 0.523 1289 F N 2.038 121.924 119.950 -0.107 0.000 2.495 1289 F HA 0.196 4.723 4.527 0.000 0.000 0.365 1289 F C 1.830 177.589 175.800 -0.068 0.000 1.090 1289 F CA 0.230 58.181 58.000 -0.082 0.000 1.235 1289 F CB 1.429 40.390 39.000 -0.065 0.000 1.119 1289 F HN 0.344 nan 8.300 nan 0.000 0.562 1290 S N 0.767 116.523 115.700 0.093 0.000 2.548 1290 S HA 0.534 5.004 4.470 0.000 0.000 0.215 1290 S C 0.651 175.290 174.600 0.065 0.000 0.976 1290 S CA 0.194 58.421 58.200 0.045 0.000 0.908 1290 S CB -0.078 63.124 63.200 0.004 0.000 0.781 1290 S HN 0.919 nan 8.310 nan 0.000 0.519 1291 G N 0.186 109.054 108.800 0.113 0.000 2.356 1291 G HA2 0.492 4.452 3.960 0.000 0.000 0.294 1291 G HA3 0.492 4.452 3.960 0.000 0.000 0.294 1291 G C -2.234 172.698 174.900 0.053 0.000 1.423 1291 G CA -1.049 44.088 45.100 0.061 0.000 0.806 1291 G HN 0.226 nan 8.290 nan 0.000 0.527 1292 L N 1.853 123.059 121.223 -0.028 0.000 2.377 1292 L HA 0.316 4.656 4.340 0.000 0.000 0.270 1292 L C 1.505 178.344 176.870 -0.051 0.000 0.991 1292 L CA -0.598 54.187 54.840 -0.092 0.000 0.851 1292 L CB 1.996 43.947 42.059 -0.181 0.000 1.218 1292 L HN 0.770 nan 8.230 nan 0.000 0.420 1293 S N 1.045 116.731 115.700 -0.024 0.000 2.414 1293 S HA 0.114 4.584 4.470 0.000 0.000 0.227 1293 S C 0.494 175.076 174.600 -0.030 0.000 1.022 1293 S CA 0.271 58.461 58.200 -0.016 0.000 0.958 1293 S CB 0.158 63.360 63.200 0.003 0.000 0.797 1293 S HN 0.664 nan 8.310 nan 0.000 0.493 1294 E N -0.201 119.973 120.200 -0.044 0.000 2.383 1294 E HA 0.665 5.015 4.350 0.000 0.000 0.275 1294 E C -1.684 174.872 176.600 -0.074 0.000 0.918 1294 E CA -0.670 55.700 56.400 -0.049 0.000 0.764 1294 E CB 2.187 31.867 29.700 -0.034 0.000 1.252 1294 E HN 0.153 nan 8.360 nan 0.000 0.449 1295 L N 1.896 123.078 121.223 -0.069 0.000 2.422 1295 L HA 0.475 4.815 4.340 0.000 0.000 0.264 1295 L C -2.512 174.318 176.870 -0.067 0.000 0.984 1295 L CA -2.287 52.503 54.840 -0.084 0.000 0.819 1295 L CB 2.143 44.147 42.059 -0.093 0.000 1.330 1295 L HN 0.258 nan 8.230 nan 0.000 0.410 1296 P HA 0.019 nan 4.420 nan 0.000 0.265 1296 P C -1.963 175.296 177.300 -0.068 0.000 1.187 1296 P CA -0.788 62.275 63.100 -0.062 0.000 0.766 1296 P CB 0.172 31.834 31.700 -0.063 0.000 0.820 1297 P HA -0.145 nan 4.420 nan 0.000 0.225 1297 P C 0.133 177.387 177.300 -0.077 0.000 1.148 1297 P CA 1.486 64.553 63.100 -0.055 0.000 0.779 1297 P CB 0.260 31.936 31.700 -0.041 0.000 0.780 1298 N N -0.542 118.086 118.700 -0.121 0.000 2.234 1298 N HA 0.106 4.846 4.740 0.000 0.000 0.227 1298 N C 0.246 175.545 175.510 -0.351 0.000 1.151 1298 N CA -0.422 52.496 53.050 -0.220 0.000 0.865 1298 N CB 0.236 38.587 38.487 -0.227 0.000 1.066 1298 N HN 0.133 nan 8.380 nan 0.000 0.515 1299 L N 1.472 122.579 121.223 -0.193 0.000 2.513 1299 L HA -0.026 4.314 4.340 0.000 0.000 0.272 1299 L C 0.663 177.492 176.870 -0.068 0.000 1.187 1299 L CA 0.482 55.237 54.840 -0.141 0.000 0.895 1299 L CB 0.230 42.239 42.059 -0.083 0.000 1.147 1299 L HN 0.062 nan 8.230 nan 0.000 0.483 1300 Y N 4.295 124.637 120.300 0.069 0.000 2.441 1300 Y HA 0.139 4.689 4.550 0.000 0.000 0.288 1300 Y C -0.093 175.869 175.900 0.103 0.000 1.118 1300 Y CA 0.025 58.176 58.100 0.085 0.000 1.215 1300 Y CB -0.281 38.253 38.460 0.125 0.000 1.118 1300 Y HN 0.577 nan 8.280 nan 0.000 0.547 1301 Y N 0.569 120.926 120.300 0.094 0.000 2.361 1301 Y HA 0.593 5.143 4.550 0.000 0.000 0.337 1301 Y C -1.753 173.996 175.900 -0.252 0.000 0.965 1301 Y CA -1.905 56.138 58.100 -0.094 0.000 1.091 1301 Y CB 1.433 39.801 38.460 -0.153 0.000 1.182 1301 Y HN -0.128 nan 8.280 nan 0.000 0.450 1302 L N 7.312 128.086 121.223 -0.747 0.000 2.404 1302 L HA 0.540 4.880 4.340 0.000 0.000 0.272 1302 L C -1.951 174.387 176.870 -0.886 0.000 0.980 1302 L CA -0.428 54.013 54.840 -0.666 0.000 0.836 1302 L CB 1.489 43.332 42.059 -0.360 0.000 1.238 1302 L HN 0.760 nan 8.230 nan 0.000 0.408 1303 N N 4.169 122.384 118.700 -0.808 0.000 2.518 1303 N HA 0.632 5.372 4.740 0.000 0.000 0.254 1303 N C -0.514 174.831 175.510 -0.275 0.000 0.979 1303 N CA 0.200 52.940 53.050 -0.516 0.000 0.930 1303 N CB 1.894 40.192 38.487 -0.315 0.000 1.152 1303 N HN 0.727 nan 8.380 nan 0.000 0.505 1304 A N 2.139 124.830 122.820 -0.214 0.000 2.606 1304 A HA 0.207 4.527 4.320 0.000 0.000 0.290 1304 A C 0.453 178.000 177.584 -0.061 0.000 1.174 1304 A CA -0.393 51.552 52.037 -0.154 0.000 0.958 1304 A CB -0.482 18.395 19.000 -0.206 0.000 1.194 1304 A HN 0.586 nan 8.150 nan 0.000 0.526 1305 S N -0.559 115.116 115.700 -0.042 0.000 2.573 1305 S HA 0.351 4.821 4.470 0.000 0.000 0.277 1305 S C 0.700 175.318 174.600 0.029 0.000 1.346 1305 S CA 0.553 58.759 58.200 0.010 0.000 1.034 1305 S CB 0.338 63.556 63.200 0.030 0.000 0.879 1305 S HN 1.115 nan 8.310 nan 0.000 0.528 1306 S N 1.465 117.187 115.700 0.036 0.000 3.706 1306 S HA -0.134 4.336 4.470 0.000 0.000 0.363 1306 S C 0.172 174.795 174.600 0.040 0.000 0.999 1306 S CA 0.687 58.903 58.200 0.027 0.000 1.143 1306 S CB -1.965 61.243 63.200 0.012 0.000 0.902 1306 S HN 0.815 nan 8.310 nan 0.000 0.476 1307 N N 0.579 119.311 118.700 0.053 0.000 3.178 1307 N HA 0.469 5.209 4.740 0.000 0.000 0.352 1307 N C 0.418 175.957 175.510 0.047 0.000 1.423 1307 N CA -0.483 52.612 53.050 0.076 0.000 0.698 1307 N CB 0.613 39.190 38.487 0.150 0.000 1.400 1307 N HN 0.234 nan 8.380 nan 0.000 0.586 1308 E N 0.882 121.112 120.200 0.050 0.000 3.157 1308 E HA 0.282 4.632 4.350 0.000 0.000 0.203 1308 E C -0.817 175.807 176.600 0.040 0.000 0.982 1308 E CA -0.271 56.146 56.400 0.028 0.000 1.217 1308 E CB -0.377 29.321 29.700 -0.004 0.000 1.123 1308 E HN 0.337 nan 8.360 nan 0.000 0.457 1309 I N 1.972 122.574 120.570 0.054 0.000 2.671 1309 I HA -0.028 4.142 4.170 0.000 0.000 0.285 1309 I C 1.368 177.503 176.117 0.031 0.000 1.148 1309 I CA 0.736 62.062 61.300 0.044 0.000 1.386 1309 I CB 0.344 38.359 38.000 0.024 0.000 1.406 1309 I HN 0.298 nan 8.210 nan 0.000 0.540 1310 R N 3.567 124.081 120.500 0.024 0.000 2.237 1310 R HA 0.093 4.434 4.340 0.000 0.000 0.195 1310 R C 0.242 176.551 176.300 0.015 0.000 0.956 1310 R CA 0.369 56.479 56.100 0.017 0.000 1.029 1310 R CB 0.348 30.652 30.300 0.007 0.000 0.972 1310 R HN 0.780 nan 8.270 nan 0.000 0.493 1311 S N -0.301 115.405 115.700 0.010 0.000 2.537 1311 S HA 0.456 4.926 4.470 0.000 0.000 0.271 1311 S C -0.902 173.693 174.600 -0.009 0.000 1.148 1311 S CA -0.999 57.203 58.200 0.003 0.000 0.868 1311 S CB 1.770 64.971 63.200 0.002 0.000 1.115 1311 S HN -0.001 nan 8.310 nan 0.000 0.461 1312 L N 2.167 123.380 121.223 -0.017 0.000 2.329 1312 L HA 0.570 4.910 4.340 0.000 0.000 0.279 1312 L C 0.783 177.634 176.870 -0.032 0.000 1.014 1312 L CA -1.035 53.784 54.840 -0.035 0.000 0.814 1312 L CB 1.628 43.661 42.059 -0.043 0.000 1.257 1312 L HN 1.111 nan 8.230 nan 0.000 0.424 1313 C N -0.650 118.626 119.300 -0.040 0.000 2.713 1313 C HA 0.227 4.687 4.460 0.000 0.000 0.330 1313 C C 0.472 175.441 174.990 -0.035 0.000 1.416 1313 C CA -1.133 57.865 59.018 -0.034 0.000 2.351 1313 C CB -0.090 27.627 27.740 -0.039 0.000 2.388 1313 C HN 0.651 nan 8.230 nan 0.000 0.729 1314 D N 0.784 121.167 120.400 -0.028 0.000 2.449 1314 D HA 0.261 4.901 4.640 0.000 0.000 0.236 1314 D C -0.039 176.240 176.300 -0.035 0.000 1.149 1314 D CA 0.523 54.507 54.000 -0.026 0.000 0.878 1314 D CB 0.420 41.208 40.800 -0.020 0.000 1.198 1314 D HN 0.486 nan 8.370 nan 0.000 0.446 1315 L N 3.514 124.717 121.223 -0.033 0.000 2.312 1315 L HA 0.293 4.633 4.340 0.000 0.000 0.281 1315 L C -1.860 174.992 176.870 -0.029 0.000 1.070 1315 L CA -1.805 53.012 54.840 -0.039 0.000 0.805 1315 L CB 0.922 42.958 42.059 -0.039 0.000 1.174 1315 L HN 0.142 nan 8.230 nan 0.000 0.434 1316 P HA 0.074 nan 4.420 nan 0.000 0.268 1316 P C -2.192 175.105 177.300 -0.006 0.000 1.204 1316 P CA -1.337 61.748 63.100 -0.025 0.000 0.768 1316 P CB 0.426 32.102 31.700 -0.039 0.000 0.842 1317 P HA -0.144 nan 4.420 nan 0.000 0.226 1317 P C 1.222 178.549 177.300 0.044 0.000 1.146 1317 P CA 1.174 64.285 63.100 0.018 0.000 0.773 1317 P CB -0.212 31.498 31.700 0.015 0.000 0.772 1318 S N -1.285 114.445 115.700 0.051 0.000 2.489 1318 S HA -0.007 4.463 4.470 0.000 0.000 0.228 1318 S C 0.972 175.686 174.600 0.190 0.000 0.995 1318 S CA -0.277 57.998 58.200 0.124 0.000 0.934 1318 S CB -1.162 62.063 63.200 0.041 0.000 0.771 1318 S HN 0.009 nan 8.310 nan 0.000 0.522 1319 L N 2.773 124.053 121.223 0.094 0.000 2.584 1319 L HA 0.126 4.466 4.340 0.000 0.000 0.272 1319 L C 0.976 177.901 176.870 0.092 0.000 1.195 1319 L CA 0.760 55.652 54.840 0.085 0.000 0.920 1319 L CB 0.051 42.114 42.059 0.008 0.000 1.173 1319 L HN 0.229 nan 8.230 nan 0.000 0.489 1320 E N 2.499 122.774 120.200 0.125 0.000 2.330 1320 E HA 0.083 4.433 4.350 0.000 0.000 0.200 1320 E C -0.144 176.484 176.600 0.048 0.000 0.922 1320 E CA 0.128 56.573 56.400 0.074 0.000 0.935 1320 E CB 0.636 30.370 29.700 0.058 0.000 0.917 1320 E HN 0.662 nan 8.360 nan 0.000 0.491 1321 E N 1.248 121.485 120.200 0.061 0.000 2.218 1321 E HA 0.335 4.685 4.350 0.000 0.000 0.263 1321 E C -1.811 174.702 176.600 -0.145 0.000 0.879 1321 E CA -0.617 55.788 56.400 0.008 0.000 0.762 1321 E CB 1.377 31.176 29.700 0.165 0.000 1.166 1321 E HN -0.093 nan 8.360 nan 0.000 0.415 1322 L N 5.160 126.296 121.223 -0.145 0.000 2.343 1322 L HA 0.523 4.863 4.340 0.000 0.000 0.278 1322 L C -1.636 175.126 176.870 -0.179 0.000 0.996 1322 L CA -0.444 54.281 54.840 -0.192 0.000 0.831 1322 L CB 1.408 43.396 42.059 -0.119 0.000 1.232 1322 L HN 0.459 nan 8.230 nan 0.000 0.413 1323 N N 4.202 122.750 118.700 -0.254 0.000 2.518 1323 N HA 0.353 5.093 4.740 0.000 0.000 0.254 1323 N C -0.348 175.086 175.510 -0.127 0.000 0.979 1323 N CA -0.273 52.684 53.050 -0.154 0.000 0.930 1323 N CB 1.566 39.960 38.487 -0.154 0.000 1.152 1323 N HN 0.462 nan 8.380 nan 0.000 0.505 1324 V N 0.992 120.871 119.914 -0.058 0.000 2.988 1324 V HA 0.371 4.491 4.120 0.000 0.000 0.356 1324 V C 0.768 176.881 176.094 0.032 0.000 1.380 1324 V CA -0.746 61.534 62.300 -0.034 0.000 1.184 1324 V CB -0.214 31.585 31.823 -0.039 0.000 1.204 1324 V HN 0.463 nan 8.190 nan 0.000 0.530 1325 S N 2.415 118.153 115.700 0.063 0.000 2.563 1325 S HA 0.197 4.667 4.470 0.000 0.000 0.284 1325 S C 0.853 175.546 174.600 0.155 0.000 1.331 1325 S CA 0.833 59.124 58.200 0.153 0.000 1.047 1325 S CB -0.289 63.032 63.200 0.202 0.000 0.859 1325 S HN 1.299 nan 8.310 nan 0.000 0.514 1326 N N 2.527 121.374 118.700 0.245 0.000 2.671 1326 N HA -0.160 4.580 4.740 0.000 0.000 0.261 1326 N C -0.911 174.661 175.510 0.103 0.000 1.053 1326 N CA 0.928 54.082 53.050 0.173 0.000 0.732 1326 N CB -1.466 37.043 38.487 0.037 0.000 0.887 1326 N HN 0.674 nan 8.380 nan 0.000 0.546 1327 N N 0.141 118.909 118.700 0.114 0.000 3.455 1327 N HA 0.409 5.149 4.740 0.000 0.000 0.358 1327 N C -0.362 175.203 175.510 0.091 0.000 1.580 1327 N CA -0.484 52.614 53.050 0.079 0.000 0.692 1327 N CB 0.496 39.018 38.487 0.059 0.000 1.978 1327 N HN 0.068 nan 8.380 nan 0.000 0.651 1328 K N 1.210 121.653 120.400 0.071 0.000 2.896 1328 K HA 0.407 4.727 4.320 0.000 0.000 0.210 1328 K C -0.544 176.099 176.600 0.072 0.000 1.116 1328 K CA -0.144 56.187 56.287 0.072 0.000 1.050 1328 K CB -0.057 32.464 32.500 0.034 0.000 0.812 1328 K HN 0.386 nan 8.250 nan 0.000 0.462 1329 L N 1.878 123.151 121.223 0.084 0.000 2.360 1329 L HA 0.189 4.530 4.340 0.000 0.000 0.276 1329 L C 1.450 178.387 176.870 0.111 0.000 1.121 1329 L CA -0.233 54.651 54.840 0.072 0.000 0.845 1329 L CB 0.353 42.444 42.059 0.053 0.000 1.143 1329 L HN 0.186 nan 8.230 nan 0.000 0.452 1330 I N -0.796 119.831 120.570 0.096 0.000 3.968 1330 I HA 0.333 4.503 4.170 0.000 0.000 0.328 1330 I C 0.391 176.556 176.117 0.080 0.000 1.290 1330 I CA 0.310 61.689 61.300 0.132 0.000 1.163 1330 I CB 0.235 38.303 38.000 0.113 0.000 1.024 1330 I HN 0.590 nan 8.210 nan 0.000 0.413 1331 E N 0.899 121.131 120.200 0.053 0.000 2.363 1331 E HA 0.531 4.881 4.350 0.000 0.000 0.281 1331 E C -1.608 175.004 176.600 0.021 0.000 0.953 1331 E CA -0.679 55.742 56.400 0.034 0.000 0.778 1331 E CB 1.815 31.531 29.700 0.027 0.000 1.220 1331 E HN 0.217 nan 8.360 nan 0.000 0.431 1332 L N 4.607 125.838 121.223 0.014 0.000 2.334 1332 L HA 0.588 4.928 4.340 0.000 0.000 0.275 1332 L C -1.891 174.978 176.870 -0.002 0.000 1.036 1332 L CA -1.855 52.987 54.840 0.003 0.000 0.807 1332 L CB 1.218 43.276 42.059 -0.001 0.000 1.231 1332 L HN 0.491 nan 8.230 nan 0.000 0.438 1333 P HA 0.122 nan 4.420 nan 0.000 0.275 1333 P C -0.822 176.472 177.300 -0.010 0.000 1.266 1333 P CA -0.539 62.555 63.100 -0.010 0.000 0.793 1333 P CB 0.593 32.282 31.700 -0.017 0.000 1.074 1334 A N 0.883 123.699 122.820 -0.008 0.000 2.565 1334 A HA 0.126 4.446 4.320 0.000 0.000 0.237 1334 A C 0.543 178.121 177.584 -0.010 0.000 1.053 1334 A CA 0.037 52.071 52.037 -0.006 0.000 0.755 1334 A CB -0.981 18.016 19.000 -0.005 0.000 0.980 1334 A HN 0.457 nan 8.150 nan 0.000 0.506 1335 L N 5.003 126.221 121.223 -0.009 0.000 2.319 1335 L HA 0.296 4.636 4.340 0.000 0.000 0.280 1335 L C -1.683 175.182 176.870 -0.007 0.000 1.099 1335 L CA -1.788 53.045 54.840 -0.011 0.000 0.828 1335 L CB 0.868 42.920 42.059 -0.012 0.000 1.150 1335 L HN 0.558 nan 8.230 nan 0.000 0.442 1336 P HA 0.054 nan 4.420 nan 0.000 0.265 1336 P C -2.160 175.143 177.300 0.005 0.000 1.193 1336 P CA -1.256 61.845 63.100 0.001 0.000 0.765 1336 P CB 0.347 32.050 31.700 0.006 0.000 0.823 1337 P HA -0.110 nan 4.420 nan 0.000 0.223 1337 P C 1.341 178.647 177.300 0.010 0.000 1.144 1337 P CA 1.174 64.278 63.100 0.007 0.000 0.783 1337 P CB 0.183 31.888 31.700 0.008 0.000 0.771 1338 R N -0.778 119.733 120.500 0.019 0.000 2.275 1338 R HA 0.067 4.407 4.340 0.000 0.000 0.199 1338 R C 0.674 176.986 176.300 0.019 0.000 0.989 1338 R CA -0.377 55.738 56.100 0.025 0.000 1.016 1338 R CB -0.610 29.720 30.300 0.051 0.000 0.918 1338 R HN 0.170 nan 8.270 nan 0.000 0.473 1339 L N 2.084 123.315 121.223 0.013 0.000 2.660 1339 L HA -0.090 4.250 4.340 0.000 0.000 0.272 1339 L C 0.809 177.675 176.870 -0.006 0.000 1.194 1339 L CA 1.112 55.954 54.840 0.003 0.000 0.945 1339 L CB 0.512 42.566 42.059 -0.009 0.000 1.212 1339 L HN 0.093 nan 8.230 nan 0.000 0.490 1340 E N 3.737 123.933 120.200 -0.007 0.000 2.330 1340 E HA 0.163 4.513 4.350 0.000 0.000 0.200 1340 E C -0.057 176.523 176.600 -0.033 0.000 0.922 1340 E CA 0.129 56.519 56.400 -0.017 0.000 0.935 1340 E CB 0.509 30.201 29.700 -0.013 0.000 0.917 1340 E HN 0.526 nan 8.360 nan 0.000 0.491 1341 R N 1.150 121.630 120.500 -0.033 0.000 2.451 1341 R HA 0.379 4.719 4.340 0.000 0.000 0.307 1341 R C -1.525 174.732 176.300 -0.071 0.000 0.965 1341 R CA -0.624 55.438 56.100 -0.065 0.000 0.865 1341 R CB 1.823 32.098 30.300 -0.042 0.000 1.174 1341 R HN -0.093 nan 8.270 nan 0.000 0.455 1342 L N 5.169 126.339 121.223 -0.088 0.000 2.316 1342 L HA 0.527 4.867 4.340 0.000 0.000 0.280 1342 L C -1.489 175.345 176.870 -0.061 0.000 1.006 1342 L CA -0.629 54.171 54.840 -0.067 0.000 0.836 1342 L CB 1.289 43.320 42.059 -0.047 0.000 1.221 1342 L HN 0.529 nan 8.230 nan 0.000 0.418 1343 I N 5.626 126.171 120.570 -0.041 0.000 2.405 1343 I HA 0.584 4.754 4.170 0.000 0.000 0.280 1343 I C 0.602 176.737 176.117 0.031 0.000 1.027 1343 I CA 0.188 61.502 61.300 0.024 0.000 1.161 1343 I CB 1.722 39.749 38.000 0.045 0.000 1.300 1343 I HN 0.720 nan 8.210 nan 0.000 0.463 1344 A N 3.842 126.688 122.820 0.043 0.000 2.594 1344 A HA 0.413 4.733 4.320 0.000 0.000 0.292 1344 A C 0.647 178.265 177.584 0.057 0.000 1.026 1344 A CA -0.281 51.781 52.037 0.041 0.000 0.983 1344 A CB -0.166 18.843 19.000 0.015 0.000 1.233 1344 A HN 0.565 nan 8.150 nan 0.000 0.519 1345 S N -1.039 114.705 115.700 0.073 0.000 2.580 1345 S HA 0.437 4.907 4.470 0.000 0.000 0.266 1345 S C 0.240 174.925 174.600 0.142 0.000 1.354 1345 S CA 0.058 58.256 58.200 -0.003 0.000 1.008 1345 S CB -0.372 62.804 63.200 -0.040 0.000 0.898 1345 S HN 1.030 nan 8.310 nan 0.000 0.555 1346 F N -0.215 119.830 119.950 0.159 0.000 2.983 1346 F HA -0.161 4.366 4.527 0.000 0.000 0.288 1346 F C 0.411 176.266 175.800 0.091 0.000 0.980 1346 F CA 0.545 58.619 58.000 0.124 0.000 0.965 1346 F CB -2.193 36.855 39.000 0.080 0.000 0.967 1346 F HN 0.689 nan 8.300 nan 0.000 0.800 1347 N N -1.204 117.609 118.700 0.188 0.000 3.229 1347 N HA 0.319 5.059 4.740 0.000 0.000 0.315 1347 N C -0.388 175.208 175.510 0.144 0.000 1.520 1347 N CA -0.785 52.362 53.050 0.161 0.000 0.769 1347 N CB 0.954 39.510 38.487 0.114 0.000 1.766 1347 N HN 0.280 nan 8.380 nan 0.000 0.618 1348 H N 0.227 119.335 119.070 0.063 0.000 2.507 1348 H HA 0.446 5.002 4.556 0.000 0.000 0.281 1348 H C -0.486 174.865 175.328 0.038 0.000 1.160 1348 H CA -0.125 55.953 56.048 0.051 0.000 0.981 1348 H CB -0.384 29.405 29.762 0.044 0.000 1.665 1348 H HN 0.183 nan 8.280 nan 0.000 0.554 1349 L N 0.713 121.953 121.223 0.028 0.000 2.360 1349 L HA 0.219 4.559 4.340 0.000 0.000 0.276 1349 L C 1.238 178.100 176.870 -0.014 0.000 1.121 1349 L CA -0.089 54.765 54.840 0.024 0.000 0.845 1349 L CB 1.259 43.331 42.059 0.022 0.000 1.143 1349 L HN 0.415 nan 8.230 nan 0.000 0.452 1350 A N 3.401 126.226 122.820 0.009 0.000 2.030 1350 A HA 0.122 4.442 4.320 0.000 0.000 0.215 1350 A C 0.604 178.191 177.584 0.004 0.000 1.164 1350 A CA 0.650 52.685 52.037 -0.004 0.000 0.697 1350 A CB 0.173 19.183 19.000 0.017 0.000 0.827 1350 A HN 0.794 nan 8.150 nan 0.000 0.457 1351 E N -1.247 118.963 120.200 0.016 0.000 2.356 1351 E HA 0.511 4.861 4.350 0.000 0.000 0.275 1351 E C -1.771 174.844 176.600 0.024 0.000 0.904 1351 E CA -0.823 55.590 56.400 0.022 0.000 0.757 1351 E CB 2.511 32.221 29.700 0.017 0.000 1.232 1351 E HN -0.046 nan 8.360 nan 0.000 0.442 1352 V N 3.009 122.941 119.914 0.029 0.000 2.439 1352 V HA 0.290 4.410 4.120 0.000 0.000 0.282 1352 V C -2.080 174.023 176.094 0.016 0.000 1.039 1352 V CA -1.765 60.547 62.300 0.020 0.000 0.913 1352 V CB 0.991 32.827 31.823 0.020 0.000 0.983 1352 V HN 0.574 nan 8.190 nan 0.000 0.460 1353 P HA 0.033 nan 4.420 nan 0.000 0.271 1353 P C -0.064 177.239 177.300 0.006 0.000 1.238 1353 P CA -0.340 62.764 63.100 0.006 0.000 0.794 1353 P CB 0.410 32.111 31.700 0.002 0.000 0.959 1354 E N 0.834 121.038 120.200 0.005 0.000 2.558 1354 E HA -0.026 4.324 4.350 0.000 0.000 0.255 1354 E C -0.572 176.028 176.600 0.001 0.000 0.968 1354 E CA -0.042 56.361 56.400 0.005 0.000 0.939 1354 E CB -0.058 29.645 29.700 0.004 0.000 0.921 1354 E HN 0.260 nan 8.360 nan 0.000 0.477 1355 L N 7.590 128.813 121.223 0.001 0.000 2.380 1355 L HA 0.288 4.628 4.340 0.000 0.000 0.273 1355 L C -1.701 175.166 176.870 -0.004 0.000 1.138 1355 L CA -1.993 52.844 54.840 -0.004 0.000 0.832 1355 L CB 0.501 42.556 42.059 -0.007 0.000 1.124 1355 L HN 0.534 nan 8.230 nan 0.000 0.454 1356 P HA -0.001 nan 4.420 nan 0.000 0.269 1356 P C -0.346 176.951 177.300 -0.005 0.000 1.209 1356 P CA -0.383 62.714 63.100 -0.004 0.000 0.776 1356 P CB 0.814 32.511 31.700 -0.004 0.000 0.876 1357 Q N 1.265 121.063 119.800 -0.003 0.000 2.437 1357 Q HA -0.054 4.287 4.340 0.000 0.000 0.210 1357 Q C 0.913 176.910 176.000 -0.005 0.000 0.972 1357 Q CA 1.084 56.885 55.803 -0.003 0.000 0.903 1357 Q CB -0.398 28.339 28.738 -0.001 0.000 0.967 1357 Q HN 0.534 nan 8.270 nan 0.000 0.486 1358 N N 0.043 118.740 118.700 -0.006 0.000 2.203 1358 N HA 0.041 4.781 4.740 0.000 0.000 0.207 1358 N C -0.302 175.201 175.510 -0.012 0.000 1.130 1358 N CA -0.177 52.869 53.050 -0.008 0.000 0.861 1358 N CB 0.588 39.071 38.487 -0.006 0.000 1.005 1358 N HN 0.142 nan 8.380 nan 0.000 0.507 1359 L N 2.120 123.334 121.223 -0.014 0.000 2.534 1359 L HA -0.004 4.336 4.340 0.000 0.000 0.271 1359 L C 1.235 178.090 176.870 -0.025 0.000 1.178 1359 L CA 0.610 55.438 54.840 -0.022 0.000 0.907 1359 L CB 0.689 42.733 42.059 -0.024 0.000 1.164 1359 L HN -0.174 nan 8.230 nan 0.000 0.482 1360 K N 3.057 123.438 120.400 -0.032 0.000 2.276 1360 K HA 0.122 4.442 4.320 0.000 0.000 0.198 1360 K C 0.111 176.682 176.600 -0.048 0.000 1.052 1360 K CA 0.602 56.870 56.287 -0.032 0.000 0.984 1360 K CB 0.184 32.667 32.500 -0.028 0.000 0.836 1360 K HN 0.716 nan 8.250 nan 0.000 0.490 1361 Q N 0.753 120.507 119.800 -0.078 0.000 2.304 1361 Q HA 0.391 4.731 4.340 0.000 0.000 0.270 1361 Q C -1.839 174.074 176.000 -0.145 0.000 1.035 1361 Q CA -0.614 55.104 55.803 -0.142 0.000 0.781 1361 Q CB 1.529 30.122 28.738 -0.241 0.000 1.261 1361 Q HN -0.023 nan 8.270 nan 0.000 0.444 1362 L N 4.765 125.932 121.223 -0.093 0.000 2.415 1362 L HA 0.427 4.767 4.340 0.000 0.000 0.268 1362 L C -1.854 175.077 176.870 0.102 0.000 0.984 1362 L CA -0.057 54.759 54.840 -0.039 0.000 0.853 1362 L CB 1.318 43.352 42.059 -0.041 0.000 1.215 1362 L HN 0.774 nan 8.230 nan 0.000 0.419 1363 H N 4.531 123.561 119.070 -0.067 0.000 2.725 1363 H HA 0.458 5.014 4.556 0.000 0.000 0.283 1363 H C -0.269 175.007 175.328 -0.086 0.000 1.110 1363 H CA -0.656 55.346 56.048 -0.077 0.000 1.289 1363 H CB 1.488 31.236 29.762 -0.024 0.000 1.400 1363 H HN 0.396 nan 8.280 nan 0.000 0.493 1364 V N 3.402 123.296 119.914 -0.033 0.000 2.988 1364 V HA -0.010 4.110 4.120 0.000 0.000 0.356 1364 V C 0.324 176.315 176.094 -0.172 0.000 1.380 1364 V CA -0.340 61.916 62.300 -0.073 0.000 1.184 1364 V CB -0.189 31.598 31.823 -0.060 0.000 1.204 1364 V HN 0.743 nan 8.190 nan 0.000 0.530 1365 E N -0.083 119.959 120.200 -0.264 0.000 2.481 1365 E HA 0.093 4.443 4.350 0.000 0.000 0.263 1365 E C -0.581 175.697 176.600 -0.536 0.000 0.992 1365 E CA -0.283 55.812 56.400 -0.508 0.000 0.938 1365 E CB -0.059 29.317 29.700 -0.541 0.000 0.933 1365 E HN 0.377 nan 8.360 nan 0.000 0.453 1366 Y N -0.093 119.992 120.300 -0.357 0.000 2.994 1366 Y HA -0.234 4.316 4.550 0.000 0.000 0.168 1366 Y C -0.494 175.271 175.900 -0.224 0.000 1.648 1366 Y CA 0.408 58.297 58.100 -0.351 0.000 0.924 1366 Y CB -1.744 36.281 38.460 -0.724 0.000 1.415 1366 Y HN 0.571 nan 8.280 nan 0.000 0.391 1367 N N 1.260 119.923 118.700 -0.061 0.000 2.264 1367 N HA 0.311 5.051 4.740 0.000 0.000 0.288 1367 N C -2.771 172.694 175.510 -0.075 0.000 1.094 1367 N CA -1.668 51.349 53.050 -0.055 0.000 0.817 1367 N CB 2.869 41.333 38.487 -0.038 0.000 1.604 1367 N HN -0.161 nan 8.380 nan 0.000 0.473 1368 P HA 0.087 nan 4.420 nan 0.000 0.232 1368 P C -0.220 177.025 177.300 -0.092 0.000 1.738 1368 P CA -0.352 62.658 63.100 -0.151 0.000 0.948 1368 P CB -0.223 31.297 31.700 -0.300 0.000 1.943 1369 L N 1.557 122.753 121.223 -0.044 0.000 2.534 1369 L HA 0.049 4.389 4.340 0.000 0.000 0.271 1369 L C 1.961 178.796 176.870 -0.059 0.000 1.178 1369 L CA 0.640 55.472 54.840 -0.013 0.000 0.907 1369 L CB -0.078 42.031 42.059 0.084 0.000 1.164 1369 L HN 0.101 nan 8.230 nan 0.000 0.482 1370 R N 2.366 122.834 120.500 -0.053 0.000 2.189 1370 R HA -0.027 4.313 4.340 0.000 0.000 0.223 1370 R C -0.172 176.058 176.300 -0.117 0.000 1.092 1370 R CA 0.879 56.935 56.100 -0.073 0.000 0.989 1370 R CB 0.035 30.309 30.300 -0.044 0.000 0.876 1370 R HN 0.804 nan 8.270 nan 0.000 0.457 1371 E N -0.902 119.232 120.200 -0.111 0.000 2.396 1371 E HA 0.154 4.504 4.350 0.000 0.000 0.280 1371 E C -1.301 175.284 176.600 -0.024 0.000 1.065 1371 E CA -0.899 55.400 56.400 -0.169 0.000 0.831 1371 E CB 0.529 30.172 29.700 -0.096 0.000 1.272 1371 E HN -0.265 nan 8.360 nan 0.000 0.443 1372 F N 1.787 121.713 119.950 -0.039 0.000 2.429 1372 F HA 0.357 4.884 4.527 0.000 0.000 0.348 1372 F C -1.556 174.227 175.800 -0.030 0.000 1.109 1372 F CA -2.192 55.784 58.000 -0.040 0.000 1.232 1372 F CB -0.080 38.895 39.000 -0.042 0.000 1.157 1372 F HN 0.306 nan 8.300 nan 0.000 0.564 1373 P HA 0.055 nan 4.420 nan 0.000 0.274 1373 P C -0.713 176.630 177.300 0.072 0.000 1.246 1373 P CA -0.451 62.699 63.100 0.084 0.000 0.795 1373 P CB 0.815 32.544 31.700 0.048 0.000 1.006 1374 D N 1.050 121.477 120.400 0.044 0.000 2.458 1374 D HA 0.077 4.717 4.640 0.000 0.000 0.243 1374 D C 0.245 176.558 176.300 0.021 0.000 1.146 1374 D CA 0.469 54.489 54.000 0.034 0.000 0.877 1374 D CB 0.444 41.257 40.800 0.021 0.000 1.176 1374 D HN 0.155 nan 8.370 nan 0.000 0.461 1375 I N 4.469 125.048 120.570 0.016 0.000 2.301 1375 I HA 0.184 4.354 4.170 0.000 0.000 0.292 1375 I C -1.928 174.188 176.117 -0.002 0.000 1.046 1375 I CA -2.368 58.931 61.300 -0.002 0.000 1.282 1375 I CB 0.208 38.200 38.000 -0.013 0.000 1.409 1375 I HN -0.048 nan 8.210 nan 0.000 0.484 1376 P HA 0.049 nan 4.420 nan 0.000 0.267 1376 P C 0.760 178.056 177.300 -0.006 0.000 1.200 1376 P CA -0.028 63.069 63.100 -0.004 0.000 0.772 1376 P CB 0.945 32.641 31.700 -0.007 0.000 0.855 1377 E N 0.968 121.165 120.200 -0.004 0.000 2.267 1377 E HA -0.170 4.180 4.350 0.000 0.000 0.197 1377 E C 1.702 178.298 176.600 -0.006 0.000 0.998 1377 E CA 1.608 58.005 56.400 -0.004 0.000 0.830 1377 E CB -0.393 29.306 29.700 -0.002 0.000 0.751 1377 E HN 0.480 nan 8.360 nan 0.000 0.491 1378 S N -0.934 114.762 115.700 -0.007 0.000 2.423 1378 S HA -0.061 4.409 4.470 0.000 0.000 0.231 1378 S C 1.026 175.619 174.600 -0.012 0.000 1.014 1378 S CA 0.275 58.470 58.200 -0.009 0.000 0.965 1378 S CB -0.334 62.860 63.200 -0.009 0.000 0.785 1378 S HN -0.007 nan 8.310 nan 0.000 0.495 1379 V N 3.298 123.204 119.914 -0.015 0.000 2.452 1379 V HA 0.011 4.131 4.120 0.000 0.000 0.286 1379 V C 1.106 177.192 176.094 -0.014 0.000 0.995 1379 V CA 0.585 62.874 62.300 -0.019 0.000 1.116 1379 V CB -0.199 31.610 31.823 -0.023 0.000 0.954 1379 V HN 0.534 nan 8.190 nan 0.000 0.473 1380 E N 2.368 122.561 120.200 -0.012 0.000 2.290 1380 E HA 0.056 4.406 4.350 0.000 0.000 0.197 1380 E C 0.320 176.924 176.600 0.006 0.000 0.948 1380 E CA 0.060 56.457 56.400 -0.004 0.000 0.895 1380 E CB 0.478 30.176 29.700 -0.003 0.000 0.865 1380 E HN 0.679 nan 8.360 nan 0.000 0.486 1381 D N 1.153 121.559 120.400 0.009 0.000 2.453 1381 D HA 0.265 4.905 4.640 0.000 0.000 0.238 1381 D C -1.601 174.747 176.300 0.079 0.000 1.088 1381 D CA -0.548 53.486 54.000 0.055 0.000 0.854 1381 D CB 1.054 41.885 40.800 0.053 0.000 1.076 1381 D HN -0.086 nan 8.370 nan 0.000 0.533 1382 L N 3.976 125.239 121.223 0.067 0.000 2.365 1382 L HA 0.629 4.969 4.340 0.000 0.000 0.273 1382 L C -1.194 175.657 176.870 -0.032 0.000 1.000 1382 L CA -0.389 54.467 54.840 0.027 0.000 0.819 1382 L CB 1.481 43.504 42.059 -0.060 0.000 1.284 1382 L HN 0.320 nan 8.230 nan 0.000 0.418 1383 R N 6.379 126.839 120.500 -0.067 0.000 2.512 1383 R HA 0.671 5.011 4.340 0.000 0.000 0.291 1383 R C -1.570 174.546 176.300 -0.307 0.000 1.097 1383 R CA -0.604 55.350 56.100 -0.243 0.000 0.940 1383 R CB 1.936 31.972 30.300 -0.439 0.000 1.198 1383 R HN 0.648 nan 8.270 nan 0.000 0.429 1384 M N 1.958 121.296 119.600 -0.436 0.000 2.446 1384 M HA 0.382 4.862 4.480 0.000 0.000 0.294 1384 M C -1.166 174.879 176.300 -0.425 0.000 1.158 1384 M CA -0.706 54.261 55.300 -0.554 0.000 0.899 1384 M CB 3.040 34.931 32.600 -1.180 0.000 1.687 1384 M HN 0.545 nan 8.290 nan 0.000 0.455 1385 N N 1.009 119.511 118.700 -0.330 0.000 2.542 1385 N HA 0.367 5.107 4.740 0.000 0.000 0.288 1385 N C -1.011 174.397 175.510 -0.170 0.000 1.115 1385 N CA -0.283 52.579 53.050 -0.313 0.000 0.924 1385 N CB 1.497 39.480 38.487 -0.840 0.000 1.526 1385 N HN 0.765 nan 8.380 nan 0.000 0.515 1386 S N 0.000 115.709 115.700 0.015 0.000 2.498 1386 S HA 0.000 4.470 4.470 0.000 0.000 0.327 1386 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 1386 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 1386 S HN 0.000 nan 8.310 nan 0.000 0.517