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 3nft_1_A DATA FIRST_RESID 1034 DATA SEQUENCE AMTDDDLRAA GVDRRVPEQK LGAAIDEFAS LRLPDRIDGR FVDGRRANLT DATA SEQUENCE VFDDARVAVR GHARAQRNLL ERLETELLGX XXXXXXXXGG IQPDPILQGL DATA SEQUENCE VDVIGQGKSD IDAYATIVEG LTKYFQSVAD VMSKLQDYIS AKDDKNMKID DATA SEQUENCE GGKIKALIQQ VIDHLPTMQL PKGADIARWR KELGDAVSIS DSGVVTINPD DATA SEQUENCE KLIKMRDSLP PDGTVWDTAR YQAWNTAFSG QKDNIQNDVQ TLVEKYSHQN DATA SEQUENCE SNFDNLVKVL SGAISTLTDT A 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1034 A C 0.000 177.568 177.584 -0.026 0.000 1.274 1034 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 1034 A CB 0.000 19.001 19.000 0.001 0.000 0.831 1035 M N 0.784 120.373 119.600 -0.019 0.000 2.571 1035 M HA 0.124 4.624 4.480 0.033 0.000 0.259 1035 M C 1.147 177.436 176.300 -0.018 0.000 1.205 1035 M CA 1.366 56.652 55.300 -0.023 0.000 1.138 1035 M CB 0.525 33.114 32.600 -0.019 0.000 1.329 1035 M HN 0.946 nan 8.290 nan 0.000 0.503 1036 T N -3.043 111.505 114.554 -0.010 0.000 2.940 1036 T HA 0.303 4.673 4.350 0.033 0.000 0.288 1036 T C 0.290 174.991 174.700 0.002 0.000 1.045 1036 T CA -0.806 61.290 62.100 -0.005 0.000 1.018 1036 T CB 1.703 70.570 68.868 -0.003 0.000 1.151 1036 T HN -0.109 nan 8.240 nan 0.000 0.529 1037 D N 0.476 120.879 120.400 0.005 0.000 2.117 1037 D HA -0.076 4.584 4.640 0.033 0.000 0.197 1037 D C 1.577 177.889 176.300 0.019 0.000 0.987 1037 D CA 1.150 55.158 54.000 0.014 0.000 0.829 1037 D CB -0.225 40.582 40.800 0.010 0.000 0.961 1037 D HN 0.585 nan 8.370 nan 0.000 0.460 1038 D N 0.712 121.120 120.400 0.013 0.000 2.123 1038 D HA -0.128 4.532 4.640 0.033 0.000 0.196 1038 D C 1.497 177.807 176.300 0.017 0.000 0.992 1038 D CA 0.859 54.867 54.000 0.014 0.000 0.833 1038 D CB -0.200 40.606 40.800 0.009 0.000 0.954 1038 D HN 0.176 nan 8.370 nan 0.000 0.455 1039 D N 0.303 120.712 120.400 0.014 0.000 2.123 1039 D HA -0.104 4.556 4.640 0.033 0.000 0.196 1039 D C 2.386 178.702 176.300 0.026 0.000 0.992 1039 D CA 0.367 54.376 54.000 0.015 0.000 0.833 1039 D CB -0.364 40.440 40.800 0.007 0.000 0.954 1039 D HN 0.235 nan 8.370 nan 0.000 0.455 1040 L N 0.406 121.649 121.223 0.034 0.000 2.046 1040 L HA -0.145 4.215 4.340 0.033 0.000 0.208 1040 L C 2.612 179.520 176.870 0.064 0.000 1.077 1040 L CA 1.197 56.073 54.840 0.060 0.000 0.747 1040 L CB -0.207 41.900 42.059 0.081 0.000 0.896 1040 L HN -0.038 nan 8.230 nan 0.000 0.432 1041 R N -0.232 120.298 120.500 0.051 0.000 2.096 1041 R HA -0.112 4.248 4.340 0.033 0.000 0.235 1041 R C 2.307 178.630 176.300 0.038 0.000 1.127 1041 R CA 1.246 57.375 56.100 0.047 0.000 0.968 1041 R CB -0.472 29.849 30.300 0.036 0.000 0.861 1041 R HN 0.342 nan 8.270 nan 0.000 0.440 1042 A N 1.020 123.859 122.820 0.031 0.000 2.067 1042 A HA 0.026 4.366 4.320 0.033 0.000 0.219 1042 A C 2.052 179.652 177.584 0.027 0.000 1.158 1042 A CA 1.353 53.405 52.037 0.025 0.000 0.661 1042 A CB -0.182 18.829 19.000 0.019 0.000 0.801 1042 A HN 0.355 nan 8.150 nan 0.000 0.452 1043 A N -1.850 120.991 122.820 0.035 0.000 2.251 1043 A HA 0.442 4.782 4.320 0.033 0.000 0.209 1043 A C 1.611 179.220 177.584 0.042 0.000 1.187 1043 A CA 1.054 53.114 52.037 0.038 0.000 0.823 1043 A CB -0.724 18.304 19.000 0.046 0.000 0.846 1043 A HN 1.752 nan 8.150 nan 0.000 0.486 1044 G N -1.886 106.939 108.800 0.042 0.000 2.159 1044 G HA2 -0.159 3.821 3.960 0.033 0.000 0.227 1044 G HA3 -0.159 3.821 3.960 0.033 0.000 0.227 1044 G C -0.014 174.916 174.900 0.050 0.000 0.986 1044 G CA 0.052 45.176 45.100 0.039 0.000 0.651 1044 G HN 0.841 nan 8.290 nan 0.000 0.523 1045 V N 2.234 122.190 119.914 0.070 0.000 2.378 1045 V HA 0.622 4.762 4.120 0.033 0.000 0.288 1045 V C -1.004 175.179 176.094 0.149 0.000 1.016 1045 V CA -0.243 62.116 62.300 0.099 0.000 0.840 1045 V CB 1.788 33.670 31.823 0.099 0.000 0.994 1045 V HN 0.430 nan 8.190 nan 0.000 0.431 1046 D N 4.046 124.560 120.400 0.191 0.000 2.336 1046 D HA 0.185 4.845 4.640 0.033 0.000 0.248 1046 D C 0.828 177.126 176.300 -0.003 0.000 1.326 1046 D CA -0.814 53.246 54.000 0.100 0.000 0.973 1046 D CB 0.866 41.696 40.800 0.051 0.000 1.255 1046 D HN 0.538 nan 8.370 nan 0.000 0.558 1047 R N 1.506 121.977 120.500 -0.047 0.000 2.193 1047 R HA -0.054 4.306 4.340 0.033 0.000 0.229 1047 R C 1.157 177.299 176.300 -0.263 0.000 1.110 1047 R CA 0.537 56.417 56.100 -0.367 0.000 0.988 1047 R CB -0.251 29.929 30.300 -0.201 0.000 0.871 1047 R HN 0.164 nan 8.270 nan 0.000 0.458 1048 R N 0.972 121.398 120.500 -0.123 0.000 2.152 1048 R HA -0.054 4.306 4.340 0.033 0.000 0.232 1048 R C 2.208 178.463 176.300 -0.074 0.000 1.117 1048 R CA 1.354 57.406 56.100 -0.080 0.000 0.981 1048 R CB -0.355 29.921 30.300 -0.040 0.000 0.870 1048 R HN 0.067 nan 8.270 nan 0.000 0.451 1049 V N 1.922 121.785 119.914 -0.084 0.000 2.223 1049 V HA -0.169 3.971 4.120 0.033 0.000 0.244 1049 V C -0.800 175.264 176.094 -0.050 0.000 1.045 1049 V CA 1.926 64.195 62.300 -0.052 0.000 1.000 1049 V CB -1.119 30.689 31.823 -0.026 0.000 0.635 1049 V HN 0.271 nan 8.190 nan 0.000 0.445 1050 P HA -0.155 nan 4.420 nan 0.000 0.218 1050 P C 1.386 178.712 177.300 0.043 0.000 1.149 1050 P CA 1.435 64.533 63.100 -0.003 0.000 0.817 1050 P CB 0.040 31.763 31.700 0.037 0.000 0.785 1051 E N 0.137 120.345 120.200 0.013 0.000 2.106 1051 E HA -0.198 4.172 4.350 0.033 0.000 0.192 1051 E C 2.391 178.999 176.600 0.013 0.000 0.984 1051 E CA 0.813 57.239 56.400 0.043 0.000 0.806 1051 E CB -0.327 29.362 29.700 -0.018 0.000 0.750 1051 E HN 0.363 nan 8.360 nan 0.000 0.458 1052 Q N 0.956 120.751 119.800 -0.010 0.000 2.123 1052 Q HA -0.167 4.193 4.340 0.033 0.000 0.199 1052 Q C 1.728 177.719 176.000 -0.015 0.000 0.966 1052 Q CA 0.968 56.764 55.803 -0.012 0.000 0.845 1052 Q CB 0.221 28.949 28.738 -0.016 0.000 0.907 1052 Q HN -0.016 nan 8.270 nan 0.000 0.439 1053 K N 0.671 121.063 120.400 -0.014 0.000 2.097 1053 K HA -0.071 4.269 4.320 0.033 0.000 0.205 1053 K C 2.196 178.774 176.600 -0.036 0.000 1.050 1053 K CA 0.752 57.024 56.287 -0.025 0.000 0.938 1053 K CB -0.303 32.188 32.500 -0.014 0.000 0.718 1053 K HN 0.307 nan 8.250 nan 0.000 0.442 1054 L N 0.174 121.389 121.223 -0.014 0.000 2.046 1054 L HA -0.122 4.238 4.340 0.033 0.000 0.208 1054 L C 2.526 179.390 176.870 -0.010 0.000 1.077 1054 L CA 1.504 56.337 54.840 -0.012 0.000 0.747 1054 L CB -0.932 41.129 42.059 0.003 0.000 0.896 1054 L HN 0.263 nan 8.230 nan 0.000 0.432 1055 G N -0.434 108.363 108.800 -0.004 0.000 2.440 1055 G HA2 -0.276 3.704 3.960 0.033 0.000 0.218 1055 G HA3 -0.276 3.704 3.960 0.033 0.000 0.218 1055 G C 1.767 176.658 174.900 -0.015 0.000 1.154 1055 G CA 0.833 45.933 45.100 -0.000 0.000 0.767 1055 G HN 0.473 nan 8.290 nan 0.000 0.552 1056 A N 1.090 123.885 122.820 -0.043 0.000 1.933 1056 A HA 0.257 4.597 4.320 0.033 0.000 0.218 1056 A C 2.802 180.295 177.584 -0.152 0.000 1.175 1056 A CA 2.263 54.256 52.037 -0.073 0.000 0.628 1056 A CB -0.713 18.243 19.000 -0.073 0.000 0.814 1056 A HN 0.786 nan 8.150 nan 0.000 0.444 1057 A N -0.061 122.624 122.820 -0.226 0.000 1.898 1057 A HA -0.042 4.298 4.320 0.033 0.000 0.216 1057 A C 2.097 179.547 177.584 -0.224 0.000 1.181 1057 A CA 1.409 53.121 52.037 -0.541 0.000 0.620 1057 A CB -0.585 18.099 19.000 -0.528 0.000 0.819 1057 A HN 0.492 nan 8.150 nan 0.000 0.442 1058 I N 0.062 120.689 120.570 0.095 0.000 2.208 1058 I HA -0.264 3.926 4.170 0.033 0.000 0.245 1058 I C 1.797 178.027 176.117 0.187 0.000 1.097 1058 I CA 1.570 63.035 61.300 0.275 0.000 1.363 1058 I CB -0.476 37.622 38.000 0.163 0.000 1.051 1058 I HN 0.239 nan 8.210 nan 0.000 0.413 1059 D N 0.375 120.819 120.400 0.072 0.000 2.144 1059 D HA -0.206 4.454 4.640 0.033 0.000 0.199 1059 D C 2.037 178.367 176.300 0.051 0.000 0.984 1059 D CA 1.083 55.118 54.000 0.058 0.000 0.834 1059 D CB -0.181 40.630 40.800 0.018 0.000 0.955 1059 D HN 0.282 nan 8.370 nan 0.000 0.465 1060 E N -0.051 120.145 120.200 -0.008 0.000 2.051 1060 E HA -0.145 4.225 4.350 0.033 0.000 0.192 1060 E C 1.855 178.520 176.600 0.109 0.000 0.991 1060 E CA 0.653 57.057 56.400 0.007 0.000 0.799 1060 E CB -0.475 29.166 29.700 -0.099 0.000 0.748 1060 E HN 0.271 nan 8.360 nan 0.000 0.449 1061 F N 0.457 120.402 119.950 -0.008 0.000 2.102 1061 F HA -0.155 4.388 4.527 0.026 0.000 0.298 1061 F C 2.087 177.893 175.800 0.011 0.000 1.105 1061 F CA 1.707 59.693 58.000 -0.024 0.000 1.239 1061 F CB -0.483 38.361 39.000 -0.260 0.000 0.991 1061 F HN 0.129 nan 8.300 nan 0.000 0.474 1062 A N -0.792 122.199 122.820 0.286 0.000 1.933 1062 A HA -0.176 4.164 4.320 0.033 0.000 0.218 1062 A C 2.276 179.890 177.584 0.050 0.000 1.175 1062 A CA 1.993 54.137 52.037 0.179 0.000 0.628 1062 A CB -1.142 17.958 19.000 0.167 0.000 0.814 1062 A HN 0.418 nan 8.150 nan 0.000 0.444 1063 S N -0.913 114.806 115.700 0.032 0.000 2.453 1063 S HA 0.046 4.536 4.470 0.033 0.000 0.231 1063 S C 0.781 175.363 174.600 -0.031 0.000 1.005 1063 S CA 0.008 58.210 58.200 0.003 0.000 0.949 1063 S CB -0.555 62.651 63.200 0.010 0.000 0.774 1063 S HN 0.543 nan 8.310 nan 0.000 0.510 1064 L N 2.593 123.768 121.223 -0.081 0.000 2.525 1064 L HA 0.095 4.455 4.340 0.033 0.000 0.278 1064 L C 0.064 176.885 176.870 -0.082 0.000 1.218 1064 L CA 0.457 55.231 54.840 -0.110 0.000 0.878 1064 L CB 0.304 42.226 42.059 -0.228 0.000 1.127 1064 L HN 0.115 nan 8.230 nan 0.000 0.492 1065 R N 5.216 125.687 120.500 -0.048 0.000 2.604 1065 R HA 0.467 4.827 4.340 0.033 0.000 0.281 1065 R C -1.195 175.102 176.300 -0.005 0.000 1.020 1065 R CA -0.970 55.114 56.100 -0.026 0.000 0.899 1065 R CB 1.669 31.956 30.300 -0.022 0.000 1.205 1065 R HN 0.582 nan 8.270 nan 0.000 0.450 1066 L N 2.954 124.190 121.223 0.023 0.000 2.466 1066 L HA 0.341 4.701 4.340 0.033 0.000 0.257 1066 L C -1.847 175.061 176.870 0.063 0.000 1.189 1066 L CA -1.890 52.995 54.840 0.074 0.000 0.813 1066 L CB 0.238 42.377 42.059 0.134 0.000 1.118 1066 L HN 0.242 nan 8.230 nan 0.000 0.471 1067 P HA 0.086 nan 4.420 nan 0.000 0.269 1067 P C -1.081 176.181 177.300 -0.062 0.000 1.217 1067 P CA 0.069 63.087 63.100 -0.136 0.000 0.783 1067 P CB 0.621 32.240 31.700 -0.135 0.000 0.898 1068 D N -0.333 119.889 120.400 -0.297 0.000 2.677 1068 D HA 0.434 5.094 4.640 0.033 0.000 0.298 1068 D C -1.349 174.808 176.300 -0.238 0.000 1.250 1068 D CA -0.609 53.336 54.000 -0.090 0.000 0.888 1068 D CB 1.688 42.507 40.800 0.031 0.000 1.397 1068 D HN 0.075 nan 8.370 nan 0.000 0.461 1069 R N 1.153 121.623 120.500 -0.051 0.000 2.435 1069 R HA 0.604 4.964 4.340 0.033 0.000 0.308 1069 R C -1.529 174.782 176.300 0.019 0.000 0.975 1069 R CA -0.596 55.498 56.100 -0.011 0.000 0.867 1069 R CB 0.616 30.946 30.300 0.050 0.000 1.171 1069 R HN 0.354 nan 8.270 nan 0.000 0.470 1070 I N 4.025 124.596 120.570 0.003 0.000 2.355 1070 I HA 0.336 4.526 4.170 0.033 0.000 0.288 1070 I C -0.653 175.475 176.117 0.018 0.000 0.999 1070 I CA -0.044 61.263 61.300 0.011 0.000 1.163 1070 I CB 1.293 39.291 38.000 -0.004 0.000 1.316 1070 I HN 0.822 nan 8.210 nan 0.000 0.454 1071 D N 5.980 126.394 120.400 0.023 0.000 2.737 1071 D HA -0.214 4.446 4.640 0.033 0.000 0.233 1071 D C 1.129 177.445 176.300 0.028 0.000 1.155 1071 D CA 1.621 55.635 54.000 0.023 0.000 0.667 1071 D CB -1.186 39.624 40.800 0.018 0.000 1.060 1071 D HN 1.232 nan 8.370 nan 0.000 0.427 1072 G N -0.850 107.972 108.800 0.036 0.000 2.217 1072 G HA2 -0.361 3.619 3.960 0.033 0.000 0.246 1072 G HA3 -0.361 3.619 3.960 0.033 0.000 0.246 1072 G C 0.326 175.259 174.900 0.056 0.000 0.990 1072 G CA 0.237 45.363 45.100 0.044 0.000 0.627 1072 G HN 0.515 nan 8.290 nan 0.000 0.522 1073 R N -0.138 120.393 120.500 0.051 0.000 2.312 1073 R HA 0.566 4.926 4.340 0.033 0.000 0.311 1073 R C -0.287 176.066 176.300 0.088 0.000 1.004 1073 R CA -0.797 55.345 56.100 0.069 0.000 0.902 1073 R CB 1.066 31.393 30.300 0.045 0.000 1.073 1073 R HN 0.156 nan 8.270 nan 0.000 0.457 1074 F N 3.322 123.265 119.950 -0.012 0.000 2.495 1074 F HA 0.160 4.705 4.527 0.030 0.000 0.365 1074 F C -0.384 175.409 175.800 -0.010 0.000 1.090 1074 F CA -0.103 57.884 58.000 -0.021 0.000 1.235 1074 F CB 0.738 39.717 39.000 -0.034 0.000 1.119 1074 F HN 0.101 nan 8.300 nan 0.000 0.562 1075 V N 6.406 125.970 119.914 -0.584 0.000 2.444 1075 V HA 0.181 4.321 4.120 0.033 0.000 0.294 1075 V C -0.271 175.481 176.094 -0.569 0.000 1.022 1075 V CA -1.111 60.969 62.300 -0.367 0.000 0.850 1075 V CB 1.385 33.081 31.823 -0.211 0.000 0.992 1075 V HN 0.651 nan 8.190 nan 0.000 0.426 1076 D N 3.239 123.496 120.400 -0.237 0.000 2.423 1076 D HA 0.190 4.850 4.640 0.033 0.000 0.238 1076 D C 0.628 176.856 176.300 -0.119 0.000 1.142 1076 D CA 0.584 54.518 54.000 -0.110 0.000 0.884 1076 D CB 1.792 42.626 40.800 0.057 0.000 1.199 1076 D HN 0.679 nan 8.370 nan 0.000 0.438 1077 G N 0.764 109.522 108.800 -0.070 0.000 2.611 1077 G HA2 0.226 4.206 3.960 0.033 0.000 0.273 1077 G HA3 0.226 4.206 3.960 0.033 0.000 0.273 1077 G C -0.121 174.767 174.900 -0.021 0.000 1.305 1077 G CA -0.377 44.700 45.100 -0.039 0.000 1.010 1077 G HN 0.438 nan 8.290 nan 0.000 0.509 1078 R N -0.338 120.151 120.500 -0.019 0.000 2.480 1078 R HA 0.423 4.783 4.340 0.033 0.000 0.306 1078 R C -0.105 176.183 176.300 -0.020 0.000 0.958 1078 R CA -0.633 55.458 56.100 -0.016 0.000 0.861 1078 R CB 1.087 31.377 30.300 -0.017 0.000 1.171 1078 R HN 0.551 nan 8.270 nan 0.000 0.445 1079 R N 1.686 122.178 120.500 -0.013 0.000 2.549 1079 R HA 0.510 4.870 4.340 0.033 0.000 0.267 1079 R C -0.540 175.754 176.300 -0.009 0.000 1.045 1079 R CA -0.607 55.482 56.100 -0.018 0.000 1.115 1079 R CB 1.488 31.781 30.300 -0.012 0.000 1.121 1079 R HN 0.601 nan 8.270 nan 0.000 0.543 1080 A N 1.437 124.252 122.820 -0.009 0.000 2.309 1080 A HA 0.165 4.505 4.320 0.033 0.000 0.298 1080 A C -0.390 177.233 177.584 0.066 0.000 1.165 1080 A CA -0.538 51.523 52.037 0.040 0.000 0.821 1080 A CB 0.469 19.495 19.000 0.044 0.000 1.102 1080 A HN 0.648 nan 8.150 nan 0.000 0.500 1081 N N 2.810 121.568 118.700 0.096 0.000 2.448 1081 N HA 0.134 4.894 4.740 0.033 0.000 0.250 1081 N C 0.527 176.151 175.510 0.190 0.000 1.136 1081 N CA -0.139 52.969 53.050 0.097 0.000 0.953 1081 N CB -0.023 38.502 38.487 0.062 0.000 1.251 1081 N HN 0.607 nan 8.380 nan 0.000 0.502 1082 L N 1.899 123.220 121.223 0.163 0.000 2.376 1082 L HA -0.094 4.266 4.340 0.033 0.000 0.219 1082 L C 2.223 179.268 176.870 0.291 0.000 1.133 1082 L CA 1.094 56.080 54.840 0.244 0.000 0.816 1082 L CB -0.661 41.417 42.059 0.032 0.000 0.933 1082 L HN 0.595 nan 8.230 nan 0.000 0.449 1083 T N -3.250 111.403 114.554 0.164 0.000 2.929 1083 T HA -0.114 4.256 4.350 0.033 0.000 0.271 1083 T C 1.768 176.535 174.700 0.112 0.000 1.085 1083 T CA 1.046 63.217 62.100 0.119 0.000 1.125 1083 T CB -0.566 68.343 68.868 0.068 0.000 0.874 1083 T HN 0.127 nan 8.240 nan 0.000 0.494 1084 V N 0.561 120.531 119.914 0.092 0.000 2.407 1084 V HA -0.071 4.069 4.120 0.033 0.000 0.248 1084 V C 2.323 178.364 176.094 -0.087 0.000 1.055 1084 V CA 1.596 63.867 62.300 -0.047 0.000 1.049 1084 V CB -1.054 30.667 31.823 -0.171 0.000 0.662 1084 V HN 0.439 nan 8.190 nan 0.000 0.455 1085 F N 0.527 120.496 119.950 0.032 0.000 2.186 1085 F HA -0.093 4.428 4.527 -0.010 0.000 0.299 1085 F C 2.348 178.173 175.800 0.042 0.000 1.090 1085 F CA 1.364 59.394 58.000 0.049 0.000 1.307 1085 F CB -0.713 38.313 39.000 0.043 0.000 1.019 1085 F HN 0.186 nan 8.300 nan 0.000 0.489 1086 D N 0.424 120.956 120.400 0.220 0.000 2.123 1086 D HA -0.179 4.481 4.640 0.033 0.000 0.196 1086 D C 1.686 178.035 176.300 0.081 0.000 0.992 1086 D CA 1.604 55.679 54.000 0.125 0.000 0.833 1086 D CB -0.463 40.394 40.800 0.095 0.000 0.954 1086 D HN 0.262 nan 8.370 nan 0.000 0.455 1087 D N 0.734 121.170 120.400 0.060 0.000 2.117 1087 D HA -0.103 4.557 4.640 0.033 0.000 0.197 1087 D C 2.071 178.387 176.300 0.026 0.000 0.987 1087 D CA 1.171 55.190 54.000 0.032 0.000 0.829 1087 D CB -0.269 40.538 40.800 0.011 0.000 0.961 1087 D HN 0.144 nan 8.370 nan 0.000 0.460 1088 A N 1.007 123.841 122.820 0.023 0.000 1.873 1088 A HA -0.175 4.165 4.320 0.033 0.000 0.215 1088 A C 2.201 179.801 177.584 0.027 0.000 1.186 1088 A CA 1.267 53.313 52.037 0.015 0.000 0.616 1088 A CB -0.423 18.580 19.000 0.006 0.000 0.823 1088 A HN 0.114 nan 8.150 nan 0.000 0.442 1089 R N -0.689 119.843 120.500 0.054 0.000 2.091 1089 R HA -0.093 4.267 4.340 0.033 0.000 0.238 1089 R C 2.012 178.334 176.300 0.036 0.000 1.136 1089 R CA 1.476 57.604 56.100 0.045 0.000 0.959 1089 R CB -0.625 29.716 30.300 0.069 0.000 0.856 1089 R HN 0.376 nan 8.270 nan 0.000 0.437 1090 V N 0.958 120.896 119.914 0.041 0.000 2.343 1090 V HA -0.255 3.885 4.120 0.033 0.000 0.247 1090 V C 2.390 178.508 176.094 0.041 0.000 1.051 1090 V CA 2.029 64.351 62.300 0.037 0.000 1.036 1090 V CB -0.657 31.187 31.823 0.035 0.000 0.654 1090 V HN 0.439 nan 8.190 nan 0.000 0.451 1091 A N -0.552 122.291 122.820 0.039 0.000 1.930 1091 A HA -0.112 4.228 4.320 0.033 0.000 0.217 1091 A C 2.366 179.999 177.584 0.081 0.000 1.175 1091 A CA 1.753 53.819 52.037 0.049 0.000 0.627 1091 A CB -0.511 18.507 19.000 0.030 0.000 0.815 1091 A HN 0.333 nan 8.150 nan 0.000 0.443 1092 V N 0.065 120.014 119.914 0.059 0.000 2.358 1092 V HA -0.241 3.899 4.120 0.033 0.000 0.246 1092 V C 2.632 178.789 176.094 0.105 0.000 1.047 1092 V CA 2.092 64.439 62.300 0.078 0.000 1.035 1092 V CB -0.772 31.016 31.823 -0.059 0.000 0.658 1092 V HN 0.513 nan 8.190 nan 0.000 0.452 1093 R N 0.095 120.631 120.500 0.061 0.000 2.083 1093 R HA -0.137 4.223 4.340 0.033 0.000 0.237 1093 R C 2.459 178.792 176.300 0.054 0.000 1.137 1093 R CA 1.637 57.766 56.100 0.050 0.000 0.951 1093 R CB -0.901 29.420 30.300 0.034 0.000 0.851 1093 R HN 0.593 nan 8.270 nan 0.000 0.434 1094 G N -0.070 108.769 108.800 0.065 0.000 2.408 1094 G HA2 -0.289 3.691 3.960 0.033 0.000 0.217 1094 G HA3 -0.289 3.691 3.960 0.033 0.000 0.217 1094 G C 1.272 176.215 174.900 0.072 0.000 1.150 1094 G CA 0.643 45.778 45.100 0.059 0.000 0.776 1094 G HN 0.414 nan 8.290 nan 0.000 0.542 1095 H N 0.848 119.920 119.070 0.002 0.000 2.353 1095 H HA -0.004 4.572 4.556 0.034 0.000 0.300 1095 H C 2.796 178.079 175.328 -0.076 0.000 1.090 1095 H CA 1.205 57.237 56.048 -0.027 0.000 1.327 1095 H CB 0.073 29.844 29.762 0.016 0.000 1.383 1095 H HN 0.328 nan 8.280 nan 0.000 0.508 1096 A N 1.383 124.179 122.820 -0.039 0.000 1.933 1096 A HA -0.154 4.186 4.320 0.033 0.000 0.218 1096 A C 2.541 180.046 177.584 -0.131 0.000 1.175 1096 A CA 1.156 53.127 52.037 -0.111 0.000 0.628 1096 A CB -0.426 18.582 19.000 0.013 0.000 0.814 1096 A HN 0.408 nan 8.150 nan 0.000 0.444 1097 R N -0.599 119.859 120.500 -0.070 0.000 2.081 1097 R HA -0.084 4.276 4.340 0.033 0.000 0.235 1097 R C 2.497 178.749 176.300 -0.081 0.000 1.131 1097 R CA 1.234 57.302 56.100 -0.052 0.000 0.960 1097 R CB -0.473 29.816 30.300 -0.018 0.000 0.856 1097 R HN 0.512 nan 8.270 nan 0.000 0.436 1098 A N 1.162 123.913 122.820 -0.115 0.000 1.902 1098 A HA -0.206 4.134 4.320 0.033 0.000 0.217 1098 A C 2.067 179.544 177.584 -0.178 0.000 1.181 1098 A CA 1.186 53.153 52.037 -0.117 0.000 0.623 1098 A CB -0.342 18.600 19.000 -0.097 0.000 0.818 1098 A HN 0.329 nan 8.150 nan 0.000 0.443 1099 Q N -1.041 118.519 119.800 -0.401 0.000 2.050 1099 Q HA -0.174 4.186 4.340 0.033 0.000 0.202 1099 Q C 2.401 178.330 176.000 -0.118 0.000 0.980 1099 Q CA 1.607 57.068 55.803 -0.570 0.000 0.840 1099 Q CB -0.199 27.798 28.738 -1.233 0.000 0.898 1099 Q HN 0.683 nan 8.270 nan 0.000 0.424 1100 R N 0.882 121.322 120.500 -0.100 0.000 2.081 1100 R HA -0.147 4.213 4.340 0.033 0.000 0.235 1100 R C 1.682 178.003 176.300 0.034 0.000 1.131 1100 R CA 1.787 57.892 56.100 0.008 0.000 0.960 1100 R CB -0.105 30.192 30.300 -0.006 0.000 0.856 1100 R HN 0.344 nan 8.270 nan 0.000 0.436 1101 N N 0.082 118.788 118.700 0.009 0.000 2.104 1101 N HA -0.199 4.561 4.740 0.033 0.000 0.190 1101 N C 1.689 177.227 175.510 0.046 0.000 1.024 1101 N CA 1.056 54.118 53.050 0.022 0.000 0.853 1101 N CB -0.117 38.375 38.487 0.008 0.000 1.008 1101 N HN 0.107 nan 8.380 nan 0.000 0.424 1102 L N 1.502 122.771 121.223 0.076 0.000 2.056 1102 L HA -0.050 4.310 4.340 0.033 0.000 0.207 1102 L C 1.813 178.743 176.870 0.101 0.000 1.078 1102 L CA 1.338 56.241 54.840 0.106 0.000 0.749 1102 L CB -0.594 41.573 42.059 0.181 0.000 0.901 1102 L HN 0.201 nan 8.230 nan 0.000 0.433 1103 L N -0.686 120.624 121.223 0.145 0.000 2.042 1103 L HA -0.237 4.123 4.340 0.033 0.000 0.210 1103 L C 2.522 179.424 176.870 0.053 0.000 1.076 1103 L CA 1.591 56.489 54.840 0.095 0.000 0.749 1103 L CB -0.619 41.525 42.059 0.141 0.000 0.893 1103 L HN 0.370 nan 8.230 nan 0.000 0.432 1104 E N -0.182 120.049 120.200 0.051 0.000 2.077 1104 E HA -0.213 4.157 4.350 0.033 0.000 0.193 1104 E C 2.356 178.971 176.600 0.024 0.000 0.989 1104 E CA 0.974 57.394 56.400 0.033 0.000 0.800 1104 E CB -0.015 29.703 29.700 0.029 0.000 0.746 1104 E HN 0.428 nan 8.360 nan 0.000 0.452 1105 R N 0.360 120.876 120.500 0.026 0.000 2.075 1105 R HA -0.088 4.272 4.340 0.033 0.000 0.232 1105 R C 2.494 178.801 176.300 0.012 0.000 1.126 1105 R CA 0.880 56.991 56.100 0.018 0.000 0.963 1105 R CB -0.345 29.967 30.300 0.020 0.000 0.858 1105 R HN 0.189 nan 8.270 nan 0.000 0.435 1106 L N 0.608 121.837 121.223 0.010 0.000 2.046 1106 L HA -0.175 4.185 4.340 0.033 0.000 0.208 1106 L C 2.639 179.508 176.870 -0.002 0.000 1.077 1106 L CA 1.374 56.212 54.840 -0.003 0.000 0.747 1106 L CB -0.434 41.615 42.059 -0.017 0.000 0.896 1106 L HN 0.281 nan 8.230 nan 0.000 0.432 1107 E N -0.197 120.006 120.200 0.005 0.000 2.077 1107 E HA -0.212 4.158 4.350 0.033 0.000 0.193 1107 E C 1.977 178.580 176.600 0.005 0.000 0.989 1107 E CA 1.824 58.227 56.400 0.005 0.000 0.800 1107 E CB 0.078 29.785 29.700 0.012 0.000 0.746 1107 E HN 0.381 nan 8.360 nan 0.000 0.452 1108 T N 1.124 115.682 114.554 0.007 0.000 2.746 1108 T HA -0.147 4.223 4.350 0.033 0.000 0.267 1108 T C 1.591 176.293 174.700 0.003 0.000 1.039 1108 T CA 1.176 63.279 62.100 0.006 0.000 1.142 1108 T CB -0.198 68.674 68.868 0.007 0.000 0.866 1108 T HN 0.222 nan 8.240 nan 0.000 0.444 1109 E N 0.649 120.850 120.200 0.001 0.000 2.118 1109 E HA -0.087 4.283 4.350 0.033 0.000 0.195 1109 E C 2.115 178.713 176.600 -0.003 0.000 0.992 1109 E CA 0.926 57.325 56.400 -0.001 0.000 0.804 1109 E CB -0.223 29.474 29.700 -0.004 0.000 0.741 1109 E HN 0.460 nan 8.360 nan 0.000 0.458 1110 L N 0.031 121.252 121.223 -0.003 0.000 2.313 1110 L HA -0.040 4.320 4.340 0.033 0.000 0.214 1110 L C 1.788 178.657 176.870 -0.002 0.000 1.119 1110 L CA 0.398 55.235 54.840 -0.004 0.000 0.809 1110 L CB 0.160 42.215 42.059 -0.006 0.000 0.933 1110 L HN 0.049 nan 8.230 nan 0.000 0.449 1111 L N -0.850 120.373 121.223 0.000 0.000 3.014 1111 L HA 0.417 4.777 4.340 0.033 0.000 0.263 1111 L C 0.511 177.382 176.870 0.001 0.000 1.207 1111 L CA -0.300 54.540 54.840 0.001 0.000 1.017 1111 L CB 0.322 42.382 42.059 0.003 0.000 1.360 1111 L HN 0.141 nan 8.230 nan 0.000 0.560 1123 G N -0.066 108.735 108.800 0.000 0.000 2.730 1123 G HA2 0.550 4.530 3.960 0.033 0.000 0.291 1123 G HA3 0.550 4.530 3.960 0.033 0.000 0.291 1123 G C -0.101 174.799 174.900 0.000 0.000 1.456 1123 G CA -0.577 44.523 45.100 0.000 0.000 0.996 1123 G HN 0.653 nan 8.290 nan 0.000 0.528 1124 I N 2.570 123.140 120.570 -0.000 0.000 2.828 1124 I HA -0.071 4.119 4.170 0.033 0.000 0.292 1124 I C 0.440 176.557 176.117 -0.000 0.000 1.206 1124 I CA 0.260 61.560 61.300 -0.000 0.000 1.420 1124 I CB 0.575 38.574 38.000 -0.001 0.000 1.368 1124 I HN 0.269 nan 8.210 nan 0.000 0.556 1125 Q N 7.503 127.303 119.800 -0.000 0.000 2.260 1125 Q HA 0.384 4.744 4.340 0.033 0.000 0.238 1125 Q C -1.983 174.017 176.000 -0.000 0.000 0.948 1125 Q CA -1.738 54.066 55.803 0.000 0.000 0.895 1125 Q CB 0.286 29.024 28.738 0.000 0.000 1.218 1125 Q HN 0.361 nan 8.270 nan 0.000 0.470 1126 P HA -0.039 nan 4.420 nan 0.000 0.264 1126 P C -0.966 176.333 177.300 -0.001 0.000 1.183 1126 P CA 0.134 63.234 63.100 -0.000 0.000 0.763 1126 P CB 0.324 32.024 31.700 0.000 0.000 0.807 1127 D N 4.922 125.321 120.400 -0.001 0.000 2.487 1127 D HA -0.018 4.642 4.640 0.033 0.000 0.243 1127 D C -1.325 174.974 176.300 -0.002 0.000 1.154 1127 D CA -0.909 53.089 54.000 -0.002 0.000 0.876 1127 D CB -0.050 40.748 40.800 -0.003 0.000 1.161 1127 D HN 0.230 nan 8.370 nan 0.000 0.478 1128 P HA -0.105 nan 4.420 nan 0.000 0.221 1128 P C 1.621 178.920 177.300 -0.002 0.000 1.145 1128 P CA 0.434 63.534 63.100 -0.001 0.000 0.795 1128 P CB 0.286 31.985 31.700 -0.001 0.000 0.775 1129 I N -1.210 119.358 120.570 -0.003 0.000 2.454 1129 I HA -0.209 3.981 4.170 0.033 0.000 0.254 1129 I C 1.784 177.898 176.117 -0.005 0.000 1.156 1129 I CA 1.103 62.401 61.300 -0.005 0.000 1.433 1129 I CB -0.118 37.878 38.000 -0.006 0.000 1.082 1129 I HN -0.116 nan 8.210 nan 0.000 0.432 1130 L N 0.016 121.237 121.223 -0.004 0.000 2.027 1130 L HA -0.234 4.126 4.340 0.033 0.000 0.206 1130 L C 2.607 179.476 176.870 -0.002 0.000 1.074 1130 L CA 1.266 56.103 54.840 -0.004 0.000 0.745 1130 L CB -0.824 41.234 42.059 -0.003 0.000 0.898 1130 L HN 0.267 nan 8.230 nan 0.000 0.433 1131 Q N 0.635 120.435 119.800 -0.000 0.000 2.124 1131 Q HA -0.126 4.234 4.340 0.033 0.000 0.202 1131 Q C 2.087 178.088 176.000 0.002 0.000 0.977 1131 Q CA 1.914 57.718 55.803 0.002 0.000 0.850 1131 Q CB -0.596 28.144 28.738 0.003 0.000 0.901 1131 Q HN 0.403 nan 8.270 nan 0.000 0.429 1132 G N 0.374 109.173 108.800 -0.000 0.000 2.446 1132 G HA2 -0.223 3.757 3.960 0.033 0.000 0.217 1132 G HA3 -0.223 3.757 3.960 0.033 0.000 0.217 1132 G C 1.329 176.228 174.900 -0.002 0.000 1.168 1132 G CA 0.980 46.080 45.100 -0.001 0.000 0.771 1132 G HN 0.397 nan 8.290 nan 0.000 0.551 1133 L N 0.219 121.438 121.223 -0.005 0.000 2.093 1133 L HA -0.050 4.310 4.340 0.033 0.000 0.208 1133 L C 2.982 179.849 176.870 -0.005 0.000 1.085 1133 L CA 0.237 55.071 54.840 -0.009 0.000 0.755 1133 L CB -0.448 41.603 42.059 -0.014 0.000 0.904 1133 L HN 0.079 nan 8.230 nan 0.000 0.435 1134 V N -0.071 119.842 119.914 -0.001 0.000 2.332 1134 V HA -0.308 3.832 4.120 0.033 0.000 0.248 1134 V C 2.127 178.227 176.094 0.010 0.000 1.055 1134 V CA 1.929 64.232 62.300 0.005 0.000 1.038 1134 V CB -0.532 31.294 31.823 0.006 0.000 0.651 1134 V HN 0.441 nan 8.190 nan 0.000 0.450 1135 D N -0.001 120.405 120.400 0.010 0.000 2.123 1135 D HA -0.136 4.524 4.640 0.033 0.000 0.196 1135 D C 2.169 178.480 176.300 0.017 0.000 0.992 1135 D CA 1.301 55.310 54.000 0.014 0.000 0.833 1135 D CB -0.375 40.432 40.800 0.012 0.000 0.954 1135 D HN 0.331 nan 8.370 nan 0.000 0.455 1136 V N 1.147 121.067 119.914 0.009 0.000 2.343 1136 V HA -0.209 3.931 4.120 0.033 0.000 0.247 1136 V C 2.511 178.612 176.094 0.012 0.000 1.051 1136 V CA 1.041 63.345 62.300 0.007 0.000 1.036 1136 V CB -0.324 31.494 31.823 -0.008 0.000 0.654 1136 V HN 0.194 nan 8.190 nan 0.000 0.451 1137 I N 0.656 121.232 120.570 0.009 0.000 2.226 1137 I HA -0.177 4.013 4.170 0.033 0.000 0.245 1137 I C 2.591 178.734 176.117 0.042 0.000 1.100 1137 I CA 1.704 63.016 61.300 0.019 0.000 1.374 1137 I CB -0.894 37.113 38.000 0.013 0.000 1.057 1137 I HN 0.411 nan 8.210 nan 0.000 0.413 1138 G N 0.015 108.838 108.800 0.038 0.000 2.418 1138 G HA2 -0.348 3.632 3.960 0.033 0.000 0.217 1138 G HA3 -0.348 3.632 3.960 0.033 0.000 0.217 1138 G C 1.543 176.480 174.900 0.063 0.000 1.158 1138 G CA 0.926 46.054 45.100 0.047 0.000 0.771 1138 G HN 0.314 nan 8.290 nan 0.000 0.545 1139 Q N 0.825 120.662 119.800 0.062 0.000 2.084 1139 Q HA 0.056 4.416 4.340 0.033 0.000 0.202 1139 Q C 2.524 178.589 176.000 0.108 0.000 0.978 1139 Q CA 2.141 57.993 55.803 0.082 0.000 0.844 1139 Q CB -1.019 27.758 28.738 0.065 0.000 0.898 1139 Q HN 0.298 nan 8.270 nan 0.000 0.426 1140 G N 0.541 109.399 108.800 0.096 0.000 2.446 1140 G HA2 -0.296 3.684 3.960 0.033 0.000 0.217 1140 G HA3 -0.296 3.684 3.960 0.033 0.000 0.217 1140 G C 1.321 176.322 174.900 0.168 0.000 1.168 1140 G CA 1.006 46.187 45.100 0.136 0.000 0.771 1140 G HN 0.399 nan 8.290 nan 0.000 0.551 1141 K N 0.301 120.779 120.400 0.130 0.000 2.063 1141 K HA -0.087 4.253 4.320 0.033 0.000 0.208 1141 K C 2.845 179.510 176.600 0.109 0.000 1.048 1141 K CA 1.334 57.688 56.287 0.111 0.000 0.928 1141 K CB -0.304 32.243 32.500 0.079 0.000 0.713 1141 K HN 0.308 nan 8.250 nan 0.000 0.442 1142 S N 1.214 116.983 115.700 0.114 0.000 2.359 1142 S HA -0.187 4.303 4.470 0.033 0.000 0.224 1142 S C 1.520 176.230 174.600 0.184 0.000 1.035 1142 S CA 1.716 59.989 58.200 0.123 0.000 1.018 1142 S CB -0.267 63.011 63.200 0.129 0.000 0.876 1142 S HN 0.192 nan 8.310 nan 0.000 0.448 1143 D N 1.023 121.573 120.400 0.250 0.000 2.117 1143 D HA -0.021 4.639 4.640 0.033 0.000 0.197 1143 D C 1.915 178.428 176.300 0.355 0.000 0.987 1143 D CA 1.013 55.241 54.000 0.379 0.000 0.829 1143 D CB -0.425 40.581 40.800 0.343 0.000 0.961 1143 D HN 0.459 nan 8.370 nan 0.000 0.460 1144 I N 1.181 121.892 120.570 0.236 0.000 2.163 1144 I HA -0.279 3.911 4.170 0.033 0.000 0.243 1144 I C 1.924 178.137 176.117 0.160 0.000 1.085 1144 I CA 1.212 62.615 61.300 0.170 0.000 1.347 1144 I CB -0.117 37.916 38.000 0.056 0.000 1.044 1144 I HN -0.114 nan 8.210 nan 0.000 0.408 1145 D N 0.855 121.320 120.400 0.108 0.000 2.097 1145 D HA -0.147 4.513 4.640 0.033 0.000 0.195 1145 D C 2.258 178.572 176.300 0.023 0.000 0.989 1145 D CA 1.620 55.652 54.000 0.054 0.000 0.827 1145 D CB -0.316 40.499 40.800 0.025 0.000 0.966 1145 D HN 0.351 nan 8.370 nan 0.000 0.456 1146 A N -0.054 122.766 122.820 0.002 0.000 1.865 1146 A HA -0.235 4.105 4.320 0.033 0.000 0.217 1146 A C 2.220 179.714 177.584 -0.150 0.000 1.191 1146 A CA 1.336 53.247 52.037 -0.210 0.000 0.623 1146 A CB -1.220 17.529 19.000 -0.417 0.000 0.826 1146 A HN 0.301 nan 8.150 nan 0.000 0.444 1147 Y N -0.294 120.070 120.300 0.107 0.000 2.242 1147 Y HA -0.067 4.502 4.550 0.032 0.000 0.291 1147 Y C 2.870 178.829 175.900 0.099 0.000 1.137 1147 Y CA 0.982 59.198 58.100 0.194 0.000 1.181 1147 Y CB -0.180 38.502 38.460 0.371 0.000 0.989 1147 Y HN 0.365 nan 8.280 nan 0.000 0.527 1148 A N -0.679 122.279 122.820 0.231 0.000 1.877 1148 A HA -0.209 4.131 4.320 0.033 0.000 0.216 1148 A C 2.232 179.829 177.584 0.021 0.000 1.186 1148 A CA 2.340 54.444 52.037 0.111 0.000 0.620 1148 A CB -1.197 17.858 19.000 0.091 0.000 0.822 1148 A HN 0.397 nan 8.150 nan 0.000 0.443 1149 T N 0.271 114.816 114.554 -0.016 0.000 2.777 1149 T HA -0.070 4.300 4.350 0.033 0.000 0.266 1149 T C 1.810 176.466 174.700 -0.074 0.000 1.040 1149 T CA 1.524 63.589 62.100 -0.057 0.000 1.141 1149 T CB -0.400 68.409 68.868 -0.099 0.000 0.868 1149 T HN 0.424 nan 8.240 nan 0.000 0.444 1150 I N 0.772 121.276 120.570 -0.111 0.000 2.202 1150 I HA -0.136 4.054 4.170 0.033 0.000 0.242 1150 I C 2.467 178.557 176.117 -0.046 0.000 1.091 1150 I CA 0.921 62.154 61.300 -0.113 0.000 1.368 1150 I CB -0.443 37.440 38.000 -0.195 0.000 1.058 1150 I HN 0.072 nan 8.210 nan 0.000 0.410 1151 V N 0.874 120.773 119.914 -0.025 0.000 2.427 1151 V HA -0.267 3.873 4.120 0.033 0.000 0.248 1151 V C 2.525 178.583 176.094 -0.060 0.000 1.051 1151 V CA 2.107 64.359 62.300 -0.080 0.000 1.048 1151 V CB -0.671 30.983 31.823 -0.282 0.000 0.666 1151 V HN 0.469 nan 8.190 nan 0.000 0.456 1152 E N 1.357 121.533 120.200 -0.040 0.000 2.058 1152 E HA -0.171 4.199 4.350 0.033 0.000 0.194 1152 E C 2.193 178.810 176.600 0.027 0.000 0.997 1152 E CA 2.084 58.483 56.400 -0.002 0.000 0.801 1152 E CB -0.915 28.784 29.700 -0.001 0.000 0.746 1152 E HN 0.434 nan 8.360 nan 0.000 0.450 1153 G N 0.696 109.503 108.800 0.013 0.000 2.404 1153 G HA2 -0.175 3.805 3.960 0.033 0.000 0.215 1153 G HA3 -0.175 3.805 3.960 0.033 0.000 0.215 1153 G C 1.503 176.453 174.900 0.082 0.000 1.174 1153 G CA 0.759 45.877 45.100 0.032 0.000 0.780 1153 G HN 0.271 nan 8.290 nan 0.000 0.537 1154 L N 1.073 122.336 121.223 0.066 0.000 2.141 1154 L HA -0.045 4.315 4.340 0.033 0.000 0.209 1154 L C 2.991 179.979 176.870 0.197 0.000 1.094 1154 L CA 1.803 56.725 54.840 0.136 0.000 0.763 1154 L CB -1.395 40.697 42.059 0.055 0.000 0.908 1154 L HN 0.224 nan 8.230 nan 0.000 0.437 1155 T N -0.798 113.840 114.554 0.140 0.000 2.857 1155 T HA -0.155 4.215 4.350 0.033 0.000 0.266 1155 T C 1.903 176.756 174.700 0.255 0.000 1.048 1155 T CA 1.114 63.352 62.100 0.229 0.000 1.139 1155 T CB 0.063 69.034 68.868 0.171 0.000 0.874 1155 T HN 0.062 nan 8.240 nan 0.000 0.455 1156 K N 1.053 121.558 120.400 0.175 0.000 2.057 1156 K HA -0.138 4.202 4.320 0.033 0.000 0.207 1156 K C 1.996 178.691 176.600 0.160 0.000 1.049 1156 K CA 1.310 57.680 56.287 0.137 0.000 0.931 1156 K CB -0.806 31.757 32.500 0.105 0.000 0.714 1156 K HN 0.417 nan 8.250 nan 0.000 0.440 1157 Y N 0.092 120.440 120.300 0.080 0.000 2.114 1157 Y HA -0.237 4.338 4.550 0.041 0.000 0.282 1157 Y C 1.890 177.876 175.900 0.142 0.000 1.165 1157 Y CA 2.006 60.159 58.100 0.088 0.000 1.148 1157 Y CB -0.895 37.608 38.460 0.072 0.000 0.972 1157 Y HN 0.154 nan 8.280 nan 0.000 0.504 1158 F N 1.470 121.267 119.950 -0.255 0.000 2.126 1158 F HA -0.226 4.334 4.527 0.055 0.000 0.299 1158 F C 2.678 178.291 175.800 -0.312 0.000 1.096 1158 F CA 2.261 60.040 58.000 -0.367 0.000 1.255 1158 F CB -1.040 37.887 39.000 -0.122 0.000 0.997 1158 F HN 0.310 nan 8.300 nan 0.000 0.479 1159 Q N -0.505 119.109 119.800 -0.311 0.000 2.096 1159 Q HA -0.185 4.175 4.340 0.033 0.000 0.204 1159 Q C 2.276 177.996 176.000 -0.466 0.000 0.982 1159 Q CA 2.164 57.496 55.803 -0.785 0.000 0.850 1159 Q CB -0.226 28.285 28.738 -0.378 0.000 0.901 1159 Q HN 0.361 nan 8.270 nan 0.000 0.422 1160 S N -0.466 115.113 115.700 -0.201 0.000 2.402 1160 S HA -0.093 4.397 4.470 0.033 0.000 0.229 1160 S C 1.878 176.421 174.600 -0.094 0.000 1.021 1160 S CA 1.075 59.216 58.200 -0.097 0.000 0.974 1160 S CB -0.021 63.195 63.200 0.025 0.000 0.800 1160 S HN 0.247 nan 8.310 nan 0.000 0.484 1161 V N 1.894 121.730 119.914 -0.129 0.000 2.379 1161 V HA -0.132 4.008 4.120 0.033 0.000 0.245 1161 V C 2.639 178.673 176.094 -0.101 0.000 1.044 1161 V CA 1.562 63.828 62.300 -0.057 0.000 1.036 1161 V CB -1.178 30.630 31.823 -0.024 0.000 0.664 1161 V HN 0.521 nan 8.190 nan 0.000 0.453 1162 A N 0.008 122.694 122.820 -0.222 0.000 1.940 1162 A HA -0.303 4.037 4.320 0.033 0.000 0.219 1162 A C 2.094 179.540 177.584 -0.230 0.000 1.176 1162 A CA 2.166 54.002 52.037 -0.335 0.000 0.631 1162 A CB -0.637 18.049 19.000 -0.522 0.000 0.814 1162 A HN 0.564 nan 8.150 nan 0.000 0.446 1163 D N -0.532 119.741 120.400 -0.212 0.000 2.084 1163 D HA -0.120 4.540 4.640 0.033 0.000 0.196 1163 D C 1.951 178.222 176.300 -0.048 0.000 0.985 1163 D CA 1.541 55.469 54.000 -0.120 0.000 0.826 1163 D CB -0.409 40.325 40.800 -0.109 0.000 0.978 1163 D HN 0.119 nan 8.370 nan 0.000 0.456 1164 V N 0.452 120.356 119.914 -0.018 0.000 2.407 1164 V HA -0.196 3.944 4.120 0.033 0.000 0.248 1164 V C 2.329 178.468 176.094 0.074 0.000 1.055 1164 V CA 1.277 63.606 62.300 0.049 0.000 1.049 1164 V CB -0.349 31.526 31.823 0.086 0.000 0.662 1164 V HN 0.234 nan 8.190 nan 0.000 0.455 1165 M N -0.589 119.034 119.600 0.038 0.000 2.202 1165 M HA -0.114 4.386 4.480 0.033 0.000 0.262 1165 M C 2.262 178.574 176.300 0.020 0.000 1.063 1165 M CA 1.869 57.200 55.300 0.052 0.000 1.097 1165 M CB -1.253 31.301 32.600 -0.076 0.000 1.382 1165 M HN 0.423 nan 8.290 nan 0.000 0.413 1166 S N -0.037 115.654 115.700 -0.015 0.000 2.356 1166 S HA -0.017 4.473 4.470 0.033 0.000 0.219 1166 S C 1.840 176.443 174.600 0.005 0.000 1.036 1166 S CA 0.727 58.918 58.200 -0.015 0.000 0.965 1166 S CB 0.010 63.189 63.200 -0.035 0.000 0.864 1166 S HN 0.422 nan 8.310 nan 0.000 0.471 1167 K N 1.309 121.719 120.400 0.016 0.000 2.103 1167 K HA -0.120 4.220 4.320 0.033 0.000 0.207 1167 K C 2.023 178.659 176.600 0.059 0.000 1.048 1167 K CA 1.357 57.660 56.287 0.026 0.000 0.930 1167 K CB -0.579 31.952 32.500 0.053 0.000 0.716 1167 K HN 0.358 nan 8.250 nan 0.000 0.444 1168 L N -0.171 121.121 121.223 0.116 0.000 2.362 1168 L HA -0.095 4.265 4.340 0.033 0.000 0.219 1168 L C 1.727 178.680 176.870 0.139 0.000 1.134 1168 L CA 1.424 56.381 54.840 0.196 0.000 0.807 1168 L CB -0.631 41.534 42.059 0.176 0.000 0.927 1168 L HN 0.023 nan 8.230 nan 0.000 0.447 1169 Q N 0.219 120.057 119.800 0.064 0.000 2.364 1169 Q HA -0.167 4.193 4.340 0.033 0.000 0.207 1169 Q C 1.290 177.283 176.000 -0.013 0.000 0.970 1169 Q CA 1.197 57.031 55.803 0.050 0.000 0.888 1169 Q CB -0.249 28.513 28.738 0.039 0.000 0.951 1169 Q HN 0.610 nan 8.270 nan 0.000 0.469 1170 D N -0.411 119.906 120.400 -0.137 0.000 2.310 1170 D HA -0.120 4.540 4.640 0.033 0.000 0.212 1170 D C 0.468 176.525 176.300 -0.404 0.000 0.965 1170 D CA 1.068 54.876 54.000 -0.320 0.000 0.879 1170 D CB 0.044 40.521 40.800 -0.540 0.000 0.921 1170 D HN 0.406 nan 8.370 nan 0.000 0.510 1171 Y N -0.429 119.865 120.300 -0.011 0.000 2.524 1171 Y HA 0.326 4.897 4.550 0.035 0.000 0.266 1171 Y C 0.513 176.382 175.900 -0.052 0.000 1.180 1171 Y CA -0.335 57.740 58.100 -0.041 0.000 1.244 1171 Y CB 0.584 39.012 38.460 -0.053 0.000 1.125 1171 Y HN -0.214 nan 8.280 nan 0.000 0.524 1172 I N 0.728 121.349 120.570 0.085 0.000 2.436 1172 I HA 0.393 4.583 4.170 0.033 0.000 0.289 1172 I C -0.344 175.818 176.117 0.075 0.000 1.010 1172 I CA -0.566 60.778 61.300 0.074 0.000 1.098 1172 I CB 1.737 39.826 38.000 0.149 0.000 1.266 1172 I HN -0.066 nan 8.210 nan 0.000 0.434 1173 S N 4.129 119.836 115.700 0.011 0.000 2.638 1173 S HA 0.829 5.319 4.470 0.033 0.000 0.274 1173 S C -0.644 173.852 174.600 -0.173 0.000 1.157 1173 S CA -0.962 57.176 58.200 -0.103 0.000 0.826 1173 S CB 1.667 64.770 63.200 -0.162 0.000 1.139 1173 S HN 0.721 nan 8.310 nan 0.000 0.474 1174 A N 0.913 123.421 122.820 -0.520 0.000 2.440 1174 A HA 0.651 4.991 4.320 0.033 0.000 0.251 1174 A C -0.011 177.450 177.584 -0.206 0.000 1.089 1174 A CA -0.085 51.739 52.037 -0.356 0.000 0.779 1174 A CB -0.078 18.568 19.000 -0.590 0.000 1.022 1174 A HN 0.793 nan 8.150 nan 0.000 0.492 1175 K N 2.710 123.046 120.400 -0.106 0.000 2.397 1175 K HA 0.486 4.826 4.320 0.033 0.000 0.253 1175 K C -0.421 176.151 176.600 -0.046 0.000 0.932 1175 K CA -0.163 56.077 56.287 -0.077 0.000 0.795 1175 K CB 0.757 33.222 32.500 -0.058 0.000 1.159 1175 K HN 0.827 nan 8.250 nan 0.000 0.424 1176 D N 1.755 122.128 120.400 -0.045 0.000 3.605 1176 D HA -0.219 4.441 4.640 0.033 0.000 0.258 1176 D C -0.269 176.020 176.300 -0.019 0.000 1.916 1176 D CA 1.086 55.071 54.000 -0.025 0.000 1.155 1176 D CB -0.222 40.573 40.800 -0.008 0.000 0.854 1176 D HN 0.789 nan 8.370 nan 0.000 1.047 1177 D N 0.184 120.582 120.400 -0.003 0.000 2.346 1177 D HA 0.002 4.662 4.640 0.033 0.000 0.206 1177 D C 1.152 177.466 176.300 0.024 0.000 1.001 1177 D CA 0.941 54.945 54.000 0.007 0.000 0.871 1177 D CB 0.371 41.175 40.800 0.008 0.000 0.943 1177 D HN 0.269 nan 8.370 nan 0.000 0.518 1178 K N -0.295 120.122 120.400 0.028 0.000 2.554 1178 K HA 0.259 4.599 4.320 0.033 0.000 0.211 1178 K C -0.120 176.513 176.600 0.056 0.000 1.226 1178 K CA -0.255 56.059 56.287 0.044 0.000 1.025 1178 K CB 0.015 32.539 32.500 0.041 0.000 1.021 1178 K HN -0.115 nan 8.250 nan 0.000 0.600 1179 N N 0.316 119.043 118.700 0.046 0.000 2.402 1179 N HA 0.524 5.284 4.740 0.033 0.000 0.294 1179 N C -0.976 174.553 175.510 0.032 0.000 1.203 1179 N CA -0.969 52.117 53.050 0.059 0.000 0.838 1179 N CB 1.078 39.596 38.487 0.052 0.000 1.306 1179 N HN -0.180 nan 8.380 nan 0.000 0.510 1180 M N 1.063 120.685 119.600 0.036 0.000 2.465 1180 M HA 0.354 4.854 4.480 0.033 0.000 0.316 1180 M C -0.663 175.609 176.300 -0.047 0.000 1.121 1180 M CA -0.567 54.703 55.300 -0.048 0.000 0.934 1180 M CB 1.644 34.107 32.600 -0.228 0.000 1.692 1180 M HN 0.453 nan 8.290 nan 0.000 0.444 1181 K N 2.724 123.068 120.400 -0.092 0.000 2.206 1181 K HA 0.700 5.040 4.320 0.033 0.000 0.264 1181 K C -1.668 174.843 176.600 -0.147 0.000 0.967 1181 K CA -0.471 55.738 56.287 -0.129 0.000 0.844 1181 K CB 1.749 34.183 32.500 -0.110 0.000 1.099 1181 K HN 0.808 nan 8.250 nan 0.000 0.441 1182 I N 3.510 123.929 120.570 -0.251 0.000 2.439 1182 I HA 0.212 4.402 4.170 0.033 0.000 0.285 1182 I C -1.165 174.781 176.117 -0.285 0.000 1.021 1182 I CA -0.658 60.476 61.300 -0.276 0.000 1.091 1182 I CB 1.448 39.176 38.000 -0.454 0.000 1.242 1182 I HN 0.626 nan 8.210 nan 0.000 0.439 1183 D N 6.411 126.717 120.400 -0.158 0.000 2.558 1183 D HA 0.218 4.878 4.640 0.033 0.000 0.221 1183 D C 1.170 177.317 176.300 -0.255 0.000 1.143 1183 D CA 0.154 54.046 54.000 -0.180 0.000 1.010 1183 D CB 1.366 42.111 40.800 -0.092 0.000 1.068 1183 D HN 0.804 nan 8.370 nan 0.000 0.511 1184 G N 1.006 109.634 108.800 -0.287 0.000 2.448 1184 G HA2 -0.157 3.823 3.960 0.033 0.000 0.218 1184 G HA3 -0.157 3.823 3.960 0.033 0.000 0.218 1184 G C 1.576 176.359 174.900 -0.195 0.000 1.135 1184 G CA 0.535 45.475 45.100 -0.267 0.000 0.784 1184 G HN 0.497 nan 8.290 nan 0.000 0.543 1185 G N 1.105 109.788 108.800 -0.194 0.000 2.418 1185 G HA2 -0.156 3.824 3.960 0.033 0.000 0.217 1185 G HA3 -0.156 3.824 3.960 0.033 0.000 0.217 1185 G C 1.868 176.650 174.900 -0.197 0.000 1.158 1185 G CA 0.920 45.926 45.100 -0.157 0.000 0.771 1185 G HN 0.289 nan 8.290 nan 0.000 0.545 1186 K N 0.428 120.626 120.400 -0.335 0.000 2.097 1186 K HA 0.050 4.390 4.320 0.033 0.000 0.206 1186 K C 2.414 178.791 176.600 -0.373 0.000 1.049 1186 K CA 0.642 56.627 56.287 -0.504 0.000 0.933 1186 K CB -0.456 31.349 32.500 -1.159 0.000 0.717 1186 K HN 0.425 nan 8.250 nan 0.000 0.442 1187 I N 1.015 121.415 120.570 -0.284 0.000 2.315 1187 I HA -0.248 3.942 4.170 0.033 0.000 0.248 1187 I C 2.163 178.286 176.117 0.011 0.000 1.117 1187 I CA 1.138 62.396 61.300 -0.070 0.000 1.404 1187 I CB -0.204 37.786 38.000 -0.016 0.000 1.071 1187 I HN 0.126 nan 8.210 nan 0.000 0.419 1188 K N 1.088 121.480 120.400 -0.013 0.000 2.063 1188 K HA -0.160 4.180 4.320 0.033 0.000 0.208 1188 K C 2.285 178.902 176.600 0.028 0.000 1.048 1188 K CA 1.580 57.887 56.287 0.034 0.000 0.928 1188 K CB -0.283 32.224 32.500 0.011 0.000 0.713 1188 K HN 0.316 nan 8.250 nan 0.000 0.442 1189 A N 1.345 124.157 122.820 -0.013 0.000 1.902 1189 A HA -0.125 4.215 4.320 0.033 0.000 0.217 1189 A C 2.121 179.726 177.584 0.035 0.000 1.181 1189 A CA 1.195 53.232 52.037 0.000 0.000 0.623 1189 A CB -0.606 18.374 19.000 -0.033 0.000 0.818 1189 A HN 0.150 nan 8.150 nan 0.000 0.443 1190 L N -0.583 120.663 121.223 0.039 0.000 2.017 1190 L HA -0.203 4.157 4.340 0.033 0.000 0.208 1190 L C 2.500 179.431 176.870 0.101 0.000 1.073 1190 L CA 1.451 56.339 54.840 0.079 0.000 0.745 1190 L CB -0.543 41.579 42.059 0.106 0.000 0.894 1190 L HN 0.383 nan 8.230 nan 0.000 0.432 1191 I N -0.699 119.940 120.570 0.115 0.000 2.226 1191 I HA -0.298 3.892 4.170 0.033 0.000 0.245 1191 I C 2.655 178.838 176.117 0.111 0.000 1.100 1191 I CA 1.040 62.420 61.300 0.133 0.000 1.374 1191 I CB -0.225 37.877 38.000 0.169 0.000 1.057 1191 I HN 0.289 nan 8.210 nan 0.000 0.413 1192 Q N 0.991 120.845 119.800 0.089 0.000 2.170 1192 Q HA -0.274 4.086 4.340 0.033 0.000 0.203 1192 Q C 2.113 178.165 176.000 0.087 0.000 0.976 1192 Q CA 1.682 57.528 55.803 0.072 0.000 0.858 1192 Q CB -0.267 28.501 28.738 0.050 0.000 0.907 1192 Q HN 0.464 nan 8.270 nan 0.000 0.433 1193 Q N -1.036 118.832 119.800 0.112 0.000 2.096 1193 Q HA -0.148 4.212 4.340 0.033 0.000 0.204 1193 Q C 1.821 177.962 176.000 0.234 0.000 0.982 1193 Q CA 1.792 57.705 55.803 0.184 0.000 0.850 1193 Q CB 0.062 28.884 28.738 0.141 0.000 0.901 1193 Q HN 0.362 nan 8.270 nan 0.000 0.422 1194 V N 0.753 120.765 119.914 0.162 0.000 2.295 1194 V HA -0.284 3.856 4.120 0.033 0.000 0.246 1194 V C 2.245 178.431 176.094 0.153 0.000 1.049 1194 V CA 1.754 64.153 62.300 0.166 0.000 1.024 1194 V CB -0.506 31.404 31.823 0.146 0.000 0.648 1194 V HN 0.412 nan 8.190 nan 0.000 0.447 1195 I N 0.348 120.986 120.570 0.113 0.000 2.208 1195 I HA -0.258 3.932 4.170 0.033 0.000 0.245 1195 I C 2.150 178.272 176.117 0.008 0.000 1.097 1195 I CA 1.663 63.004 61.300 0.067 0.000 1.363 1195 I CB -0.508 37.523 38.000 0.051 0.000 1.051 1195 I HN 0.323 nan 8.210 nan 0.000 0.413 1196 D N -0.454 119.927 120.400 -0.031 0.000 2.310 1196 D HA -0.118 4.542 4.640 0.033 0.000 0.212 1196 D C 1.317 177.363 176.300 -0.424 0.000 0.965 1196 D CA 1.199 55.062 54.000 -0.228 0.000 0.879 1196 D CB -0.115 40.500 40.800 -0.308 0.000 0.921 1196 D HN 0.471 nan 8.370 nan 0.000 0.510 1197 H N -0.500 118.589 119.070 0.032 0.000 2.510 1197 H HA 0.223 4.801 4.556 0.036 0.000 0.266 1197 H C 0.315 175.664 175.328 0.035 0.000 1.146 1197 H CA -0.324 55.742 56.048 0.029 0.000 0.993 1197 H CB 0.623 30.403 29.762 0.031 0.000 1.727 1197 H HN 0.041 nan 8.280 nan 0.000 0.590 1198 L N 3.263 124.538 121.223 0.087 0.000 2.525 1198 L HA 0.042 4.402 4.340 0.033 0.000 0.278 1198 L C -1.669 175.223 176.870 0.037 0.000 1.218 1198 L CA -1.444 53.434 54.840 0.063 0.000 0.878 1198 L CB -0.011 42.040 42.059 -0.013 0.000 1.127 1198 L HN -0.016 nan 8.230 nan 0.000 0.492 1199 P HA 0.095 nan 4.420 nan 0.000 0.269 1199 P C -0.503 176.786 177.300 -0.019 0.000 1.209 1199 P CA -0.307 62.807 63.100 0.024 0.000 0.776 1199 P CB 0.628 32.352 31.700 0.040 0.000 0.876 1200 T N -0.533 114.008 114.554 -0.022 0.000 2.932 1200 T HA 0.824 5.194 4.350 0.033 0.000 0.289 1200 T C -0.319 174.352 174.700 -0.050 0.000 1.039 1200 T CA -0.851 61.222 62.100 -0.044 0.000 1.024 1200 T CB 1.015 69.859 68.868 -0.041 0.000 1.090 1200 T HN 0.206 nan 8.240 nan 0.000 0.496 1201 M N 1.740 121.297 119.600 -0.072 0.000 2.518 1201 M HA 0.511 5.011 4.480 0.033 0.000 0.300 1201 M C -0.969 175.265 176.300 -0.109 0.000 1.175 1201 M CA -0.746 54.500 55.300 -0.090 0.000 0.890 1201 M CB 2.697 35.229 32.600 -0.112 0.000 1.710 1201 M HN 0.693 nan 8.290 nan 0.000 0.453 1202 Q N 2.398 122.131 119.800 -0.112 0.000 2.333 1202 Q HA 0.622 4.982 4.340 0.033 0.000 0.265 1202 Q C -1.698 174.200 176.000 -0.170 0.000 0.989 1202 Q CA -0.259 55.472 55.803 -0.120 0.000 0.842 1202 Q CB 1.115 29.803 28.738 -0.083 0.000 1.262 1202 Q HN 0.744 nan 8.270 nan 0.000 0.451 1203 L N 5.470 126.558 121.223 -0.226 0.000 2.473 1203 L HA 0.354 4.714 4.340 0.033 0.000 0.268 1203 L C -1.756 174.993 176.870 -0.201 0.000 1.215 1203 L CA -1.879 52.769 54.840 -0.320 0.000 0.823 1203 L CB 0.182 41.977 42.059 -0.439 0.000 1.099 1203 L HN 0.625 nan 8.230 nan 0.000 0.483 1204 P HA -0.019 nan 4.420 nan 0.000 0.267 1204 P C -0.757 176.510 177.300 -0.056 0.000 1.200 1204 P CA -0.151 62.898 63.100 -0.086 0.000 0.772 1204 P CB 0.393 32.065 31.700 -0.046 0.000 0.855 1205 K N 1.628 122.010 120.400 -0.030 0.000 2.485 1205 K HA 0.214 4.554 4.320 0.033 0.000 0.277 1205 K C 1.204 177.809 176.600 0.009 0.000 0.990 1205 K CA 1.044 57.324 56.287 -0.013 0.000 0.994 1205 K CB -0.540 31.956 32.500 -0.007 0.000 0.906 1205 K HN 0.767 nan 8.250 nan 0.000 0.488 1206 G N 1.619 110.429 108.800 0.018 0.000 2.176 1206 G HA2 -0.289 3.691 3.960 0.033 0.000 0.253 1206 G HA3 -0.289 3.691 3.960 0.033 0.000 0.253 1206 G C 0.112 175.054 174.900 0.070 0.000 0.979 1206 G CA 0.089 45.213 45.100 0.040 0.000 0.641 1206 G HN 0.915 nan 8.290 nan 0.000 0.530 1207 A N 0.300 123.160 122.820 0.068 0.000 2.498 1207 A HA 0.458 4.798 4.320 0.033 0.000 0.239 1207 A C 0.464 178.162 177.584 0.190 0.000 1.068 1207 A CA 0.671 52.797 52.037 0.149 0.000 0.766 1207 A CB 0.337 19.344 19.000 0.012 0.000 1.003 1207 A HN 0.431 nan 8.150 nan 0.000 0.497 1208 D N 2.763 123.333 120.400 0.283 0.000 2.374 1208 D HA 0.124 4.784 4.640 0.033 0.000 0.240 1208 D C 1.071 177.529 176.300 0.262 0.000 1.229 1208 D CA -0.411 53.705 54.000 0.193 0.000 0.895 1208 D CB 0.152 41.017 40.800 0.109 0.000 1.046 1208 D HN 0.296 nan 8.370 nan 0.000 0.498 1209 I N 3.331 124.006 120.570 0.174 0.000 2.226 1209 I HA -0.218 3.972 4.170 0.033 0.000 0.245 1209 I C 2.313 178.514 176.117 0.141 0.000 1.100 1209 I CA 0.773 62.170 61.300 0.163 0.000 1.374 1209 I CB -1.426 36.622 38.000 0.080 0.000 1.057 1209 I HN 0.430 nan 8.210 nan 0.000 0.413 1210 A N 1.089 123.960 122.820 0.085 0.000 1.902 1210 A HA -0.251 4.089 4.320 0.033 0.000 0.217 1210 A C 2.557 180.161 177.584 0.033 0.000 1.181 1210 A CA 1.950 54.017 52.037 0.050 0.000 0.623 1210 A CB -0.708 18.308 19.000 0.027 0.000 0.818 1210 A HN 0.427 nan 8.150 nan 0.000 0.443 1211 R N -1.558 118.947 120.500 0.009 0.000 2.083 1211 R HA -0.213 4.147 4.340 0.033 0.000 0.237 1211 R C 1.964 178.182 176.300 -0.136 0.000 1.137 1211 R CA 2.073 58.114 56.100 -0.098 0.000 0.951 1211 R CB -0.508 29.684 30.300 -0.180 0.000 0.851 1211 R HN 0.628 nan 8.270 nan 0.000 0.434 1212 W N 0.765 122.059 121.300 -0.010 0.000 2.388 1212 W HA 0.019 4.698 4.660 0.033 0.000 0.294 1212 W C 2.553 179.053 176.519 -0.031 0.000 1.212 1212 W CA 1.000 58.327 57.345 -0.030 0.000 1.271 1212 W CB -0.028 29.402 29.460 -0.051 0.000 1.126 1212 W HN 0.113 nan 8.180 nan 0.000 0.535 1213 R N 0.499 121.103 120.500 0.173 0.000 2.081 1213 R HA -0.148 4.212 4.340 0.033 0.000 0.235 1213 R C 2.005 178.336 176.300 0.052 0.000 1.131 1213 R CA 1.562 57.717 56.100 0.092 0.000 0.960 1213 R CB -0.442 29.893 30.300 0.059 0.000 0.856 1213 R HN 0.194 nan 8.270 nan 0.000 0.436 1214 K N 0.285 120.699 120.400 0.023 0.000 2.057 1214 K HA -0.199 4.141 4.320 0.033 0.000 0.207 1214 K C 2.081 178.676 176.600 -0.007 0.000 1.049 1214 K CA 1.500 57.785 56.287 -0.004 0.000 0.931 1214 K CB -0.045 32.439 32.500 -0.027 0.000 0.714 1214 K HN 0.083 nan 8.250 nan 0.000 0.440 1215 E N 1.271 121.457 120.200 -0.024 0.000 2.077 1215 E HA -0.137 4.233 4.350 0.033 0.000 0.193 1215 E C 1.729 178.367 176.600 0.063 0.000 0.989 1215 E CA 1.156 57.545 56.400 -0.019 0.000 0.800 1215 E CB -0.016 29.599 29.700 -0.143 0.000 0.746 1215 E HN 0.200 nan 8.360 nan 0.000 0.452 1216 L N -0.775 120.506 121.223 0.097 0.000 2.307 1216 L HA 0.261 4.621 4.340 0.033 0.000 0.211 1216 L C 1.357 178.259 176.870 0.054 0.000 1.099 1216 L CA 0.160 55.060 54.840 0.099 0.000 0.816 1216 L CB -0.649 41.477 42.059 0.112 0.000 0.952 1216 L HN 0.391 nan 8.230 nan 0.000 0.455 1217 G N 1.596 110.419 108.800 0.038 0.000 2.741 1217 G HA2 -0.302 3.678 3.960 0.033 0.000 0.222 1217 G HA3 -0.302 3.678 3.960 0.033 0.000 0.222 1217 G C -0.095 174.812 174.900 0.011 0.000 1.364 1217 G CA 0.061 45.172 45.100 0.019 0.000 0.866 1217 G HN 0.452 nan 8.290 nan 0.000 0.555 1218 D N -0.591 119.810 120.400 0.003 0.000 2.319 1218 D HA 0.444 5.104 4.640 0.033 0.000 0.230 1218 D C 1.938 178.231 176.300 -0.013 0.000 1.094 1218 D CA 1.333 55.331 54.000 -0.004 0.000 0.856 1218 D CB -0.177 40.621 40.800 -0.004 0.000 0.915 1218 D HN 1.074 nan 8.370 nan 0.000 0.517 1219 A N 0.190 123.003 122.820 -0.013 0.000 2.119 1219 A HA 0.269 4.609 4.320 0.033 0.000 0.217 1219 A C 1.099 178.646 177.584 -0.061 0.000 1.153 1219 A CA 0.884 52.905 52.037 -0.027 0.000 0.692 1219 A CB -0.326 18.666 19.000 -0.013 0.000 0.799 1219 A HN 0.344 nan 8.150 nan 0.000 0.458 1220 V N -4.528 115.358 119.914 -0.047 0.000 3.074 1220 V HA 0.830 4.970 4.120 0.033 0.000 0.314 1220 V C -0.466 175.603 176.094 -0.040 0.000 1.117 1220 V CA -0.732 61.531 62.300 -0.062 0.000 1.014 1220 V CB 1.817 33.606 31.823 -0.058 0.000 1.057 1220 V HN 0.014 nan 8.190 nan 0.000 0.438 1221 S N 1.891 117.563 115.700 -0.047 0.000 2.513 1221 S HA 0.814 5.304 4.470 0.033 0.000 0.299 1221 S C -0.623 173.957 174.600 -0.033 0.000 1.087 1221 S CA -0.528 57.653 58.200 -0.032 0.000 1.012 1221 S CB 1.311 64.491 63.200 -0.034 0.000 1.044 1221 S HN 0.711 nan 8.310 nan 0.000 0.485 1222 I N 2.350 122.910 120.570 -0.017 0.000 2.466 1222 I HA 0.350 4.540 4.170 0.033 0.000 0.289 1222 I C 0.458 176.566 176.117 -0.015 0.000 1.026 1222 I CA -0.631 60.657 61.300 -0.020 0.000 1.078 1222 I CB 2.058 40.059 38.000 0.002 0.000 1.249 1222 I HN 0.665 nan 8.210 nan 0.000 0.429 1223 S N 2.775 118.460 115.700 -0.025 0.000 2.624 1223 S HA 0.168 4.658 4.470 0.033 0.000 0.263 1223 S C 0.606 175.199 174.600 -0.012 0.000 1.287 1223 S CA -0.456 57.733 58.200 -0.019 0.000 0.990 1223 S CB 1.187 64.372 63.200 -0.025 0.000 0.950 1223 S HN 0.579 nan 8.310 nan 0.000 0.561 1224 D N 0.930 121.326 120.400 -0.007 0.000 2.263 1224 D HA -0.044 4.616 4.640 0.033 0.000 0.208 1224 D C 1.765 178.061 176.300 -0.006 0.000 0.971 1224 D CA 1.527 55.526 54.000 -0.001 0.000 0.867 1224 D CB -0.404 40.396 40.800 0.001 0.000 0.929 1224 D HN 0.687 nan 8.370 nan 0.000 0.492 1225 S N -1.151 114.540 115.700 -0.015 0.000 2.605 1225 S HA 0.323 4.813 4.470 0.033 0.000 0.217 1225 S C 1.595 176.173 174.600 -0.036 0.000 0.958 1225 S CA 0.329 58.516 58.200 -0.021 0.000 0.919 1225 S CB 0.369 63.556 63.200 -0.022 0.000 0.780 1225 S HN 0.256 nan 8.310 nan 0.000 0.507 1226 G N 0.436 109.210 108.800 -0.043 0.000 2.132 1226 G HA2 -0.223 3.757 3.960 0.033 0.000 0.234 1226 G HA3 -0.223 3.757 3.960 0.033 0.000 0.234 1226 G C -0.071 174.770 174.900 -0.098 0.000 0.989 1226 G CA -0.068 44.986 45.100 -0.078 0.000 0.676 1226 G HN 0.651 nan 8.290 nan 0.000 0.522 1227 V N 1.101 120.972 119.914 -0.072 0.000 2.432 1227 V HA 0.451 4.591 4.120 0.033 0.000 0.271 1227 V C 0.838 176.885 176.094 -0.078 0.000 1.046 1227 V CA -0.521 61.735 62.300 -0.074 0.000 0.945 1227 V CB 1.607 33.398 31.823 -0.054 0.000 0.992 1227 V HN 0.267 nan 8.190 nan 0.000 0.471 1228 V N 5.387 125.243 119.914 -0.097 0.000 2.383 1228 V HA 0.518 4.658 4.120 0.033 0.000 0.275 1228 V C 0.482 176.524 176.094 -0.087 0.000 1.036 1228 V CA -0.298 61.945 62.300 -0.095 0.000 0.889 1228 V CB 1.526 33.273 31.823 -0.126 0.000 0.985 1228 V HN 1.029 nan 8.190 nan 0.000 0.459 1229 T N 2.635 117.140 114.554 -0.082 0.000 2.912 1229 T HA 0.765 5.135 4.350 0.033 0.000 0.288 1229 T C -0.539 174.090 174.700 -0.120 0.000 1.030 1229 T CA -0.722 61.323 62.100 -0.091 0.000 1.020 1229 T CB 1.762 70.586 68.868 -0.073 0.000 1.056 1229 T HN 0.299 nan 8.240 nan 0.000 0.480 1230 I N 2.787 123.256 120.570 -0.169 0.000 2.342 1230 I HA 0.251 4.441 4.170 0.033 0.000 0.291 1230 I C 0.537 176.525 176.117 -0.215 0.000 1.010 1230 I CA -0.861 60.279 61.300 -0.266 0.000 1.308 1230 I CB 0.937 38.640 38.000 -0.495 0.000 1.400 1230 I HN 0.655 nan 8.210 nan 0.000 0.488 1231 N N 9.372 127.969 118.700 -0.170 0.000 2.452 1231 N HA 0.065 4.825 4.740 0.033 0.000 0.266 1231 N C -1.680 173.773 175.510 -0.095 0.000 1.209 1231 N CA -1.465 51.524 53.050 -0.101 0.000 0.929 1231 N CB 0.922 39.371 38.487 -0.063 0.000 1.063 1231 N HN 0.351 nan 8.380 nan 0.000 0.472 1232 P HA 0.050 nan 4.420 nan 0.000 0.255 1232 P C 0.236 177.549 177.300 0.021 0.000 1.301 1232 P CA 0.049 63.142 63.100 -0.011 0.000 0.817 1232 P CB 0.225 31.922 31.700 -0.006 0.000 1.259 1233 D N 1.363 121.770 120.400 0.011 0.000 2.123 1233 D HA -0.209 4.451 4.640 0.033 0.000 0.196 1233 D C 1.430 177.746 176.300 0.028 0.000 0.992 1233 D CA 1.528 55.539 54.000 0.017 0.000 0.833 1233 D CB -0.558 40.248 40.800 0.009 0.000 0.954 1233 D HN 0.119 nan 8.370 nan 0.000 0.455 1234 K N 0.075 120.500 120.400 0.042 0.000 2.103 1234 K HA 0.120 4.460 4.320 0.033 0.000 0.204 1234 K C 2.390 179.003 176.600 0.021 0.000 1.052 1234 K CA 0.473 56.778 56.287 0.030 0.000 0.945 1234 K CB -0.240 32.292 32.500 0.054 0.000 0.722 1234 K HN 0.143 nan 8.250 nan 0.000 0.443 1235 L N 0.491 121.755 121.223 0.069 0.000 2.083 1235 L HA -0.164 4.196 4.340 0.033 0.000 0.209 1235 L C 2.183 179.091 176.870 0.064 0.000 1.083 1235 L CA 1.131 56.015 54.840 0.073 0.000 0.752 1235 L CB -0.392 41.744 42.059 0.128 0.000 0.899 1235 L HN 0.170 nan 8.230 nan 0.000 0.433 1236 I N -0.228 120.376 120.570 0.056 0.000 2.226 1236 I HA -0.319 3.871 4.170 0.033 0.000 0.245 1236 I C 2.527 178.680 176.117 0.061 0.000 1.100 1236 I CA 1.460 62.794 61.300 0.056 0.000 1.374 1236 I CB -0.251 37.773 38.000 0.040 0.000 1.057 1236 I HN 0.213 nan 8.210 nan 0.000 0.413 1237 K N 0.272 120.696 120.400 0.040 0.000 2.057 1237 K HA -0.143 4.197 4.320 0.033 0.000 0.207 1237 K C 2.172 178.808 176.600 0.060 0.000 1.049 1237 K CA 1.432 57.743 56.287 0.040 0.000 0.931 1237 K CB -0.134 32.372 32.500 0.009 0.000 0.714 1237 K HN 0.253 nan 8.250 nan 0.000 0.440 1238 M N 0.118 119.722 119.600 0.007 0.000 2.086 1238 M HA -0.190 4.310 4.480 0.033 0.000 0.261 1238 M C 2.422 178.900 176.300 0.297 0.000 1.067 1238 M CA 1.540 56.856 55.300 0.027 0.000 1.116 1238 M CB -0.261 32.194 32.600 -0.241 0.000 1.348 1238 M HN 0.099 nan 8.290 nan 0.000 0.407 1239 R N 0.580 121.205 120.500 0.208 0.000 2.083 1239 R HA -0.187 4.173 4.340 0.033 0.000 0.237 1239 R C 1.263 177.680 176.300 0.196 0.000 1.137 1239 R CA 2.015 58.238 56.100 0.206 0.000 0.951 1239 R CB -0.271 30.109 30.300 0.133 0.000 0.851 1239 R HN 0.322 nan 8.270 nan 0.000 0.434 1240 D N -0.309 120.187 120.400 0.161 0.000 2.348 1240 D HA -0.084 4.576 4.640 0.033 0.000 0.216 1240 D C 1.726 178.144 176.300 0.196 0.000 0.970 1240 D CA 1.204 55.290 54.000 0.144 0.000 0.889 1240 D CB 0.071 40.934 40.800 0.104 0.000 0.912 1240 D HN 0.336 nan 8.370 nan 0.000 0.524 1241 S N -0.507 115.368 115.700 0.292 0.000 2.489 1241 S HA -0.013 4.477 4.470 0.033 0.000 0.228 1241 S C 0.981 175.871 174.600 0.483 0.000 0.995 1241 S CA -0.086 58.367 58.200 0.421 0.000 0.934 1241 S CB -0.174 63.348 63.200 0.538 0.000 0.771 1241 S HN 0.100 nan 8.310 nan 0.000 0.522 1242 L N 3.197 124.626 121.223 0.342 0.000 2.371 1242 L HA 0.430 4.790 4.340 0.033 0.000 0.272 1242 L C -1.777 175.099 176.870 0.010 0.000 1.124 1242 L CA -2.187 52.726 54.840 0.121 0.000 0.816 1242 L CB 0.648 42.753 42.059 0.077 0.000 1.129 1242 L HN 0.148 nan 8.230 nan 0.000 0.448 1243 P HA 0.344 nan 4.420 nan 0.000 0.282 1243 P C -2.798 174.376 177.300 -0.210 0.000 1.287 1243 P CA -1.619 61.373 63.100 -0.181 0.000 0.792 1243 P CB 0.159 31.589 31.700 -0.449 0.000 1.163 1244 P HA 0.143 nan 4.420 nan 0.000 0.277 1244 P C -0.426 176.748 177.300 -0.210 0.000 1.271 1244 P CA -0.183 62.821 63.100 -0.160 0.000 0.795 1244 P CB 0.218 31.852 31.700 -0.110 0.000 1.101 1245 D N -0.633 119.662 120.400 -0.175 0.000 2.478 1245 D HA 0.192 4.852 4.640 0.033 0.000 0.234 1245 D C 1.574 177.774 176.300 -0.168 0.000 1.154 1245 D CA 1.827 55.721 54.000 -0.176 0.000 0.874 1245 D CB -0.394 40.321 40.800 -0.143 0.000 1.198 1245 D HN 0.731 nan 8.370 nan 0.000 0.455 1246 G N 1.317 110.017 108.800 -0.166 0.000 2.162 1246 G HA2 -0.291 3.689 3.960 0.033 0.000 0.260 1246 G HA3 -0.291 3.689 3.960 0.033 0.000 0.260 1246 G C 0.523 175.306 174.900 -0.194 0.000 0.976 1246 G CA 0.534 45.544 45.100 -0.149 0.000 0.655 1246 G HN 0.588 nan 8.290 nan 0.000 0.533 1247 T N 0.710 115.086 114.554 -0.297 0.000 2.834 1247 T HA 0.436 4.806 4.350 0.033 0.000 0.298 1247 T C 0.402 174.860 174.700 -0.403 0.000 0.966 1247 T CA 0.177 62.023 62.100 -0.425 0.000 1.141 1247 T CB 1.963 70.393 68.868 -0.731 0.000 0.905 1247 T HN 0.431 nan 8.240 nan 0.000 0.535 1248 V N 5.164 124.912 119.914 -0.275 0.000 2.357 1248 V HA 0.397 4.537 4.120 0.033 0.000 0.284 1248 V C -0.734 175.376 176.094 0.027 0.000 1.018 1248 V CA -0.942 61.283 62.300 -0.124 0.000 0.841 1248 V CB 1.061 32.855 31.823 -0.050 0.000 0.991 1248 V HN 0.769 nan 8.190 nan 0.000 0.437 1249 W N 3.472 124.780 121.300 0.014 0.000 2.666 1249 W HA 0.445 5.124 4.660 0.032 0.000 0.334 1249 W C 0.161 176.716 176.519 0.060 0.000 1.051 1249 W CA -1.525 55.851 57.345 0.052 0.000 1.224 1249 W CB 1.589 31.114 29.460 0.108 0.000 1.405 1249 W HN 0.734 nan 8.180 nan 0.000 0.513 1250 D N 0.207 120.775 120.400 0.280 0.000 2.378 1250 D HA -0.030 4.630 4.640 0.033 0.000 0.238 1250 D C 0.897 177.313 176.300 0.194 0.000 1.180 1250 D CA 0.240 54.343 54.000 0.171 0.000 0.895 1250 D CB 1.016 41.879 40.800 0.105 0.000 1.192 1250 D HN 0.213 nan 8.370 nan 0.000 0.438 1251 T N 1.238 115.883 114.554 0.151 0.000 2.699 1251 T HA -0.159 4.211 4.350 0.033 0.000 0.268 1251 T C 1.906 176.710 174.700 0.172 0.000 1.036 1251 T CA 2.142 64.349 62.100 0.178 0.000 1.147 1251 T CB -0.403 68.538 68.868 0.122 0.000 0.862 1251 T HN 0.657 nan 8.240 nan 0.000 0.446 1252 A N 1.566 124.440 122.820 0.090 0.000 1.902 1252 A HA -0.106 4.234 4.320 0.033 0.000 0.217 1252 A C 2.393 179.966 177.584 -0.019 0.000 1.181 1252 A CA 1.394 53.454 52.037 0.038 0.000 0.623 1252 A CB -0.479 18.528 19.000 0.012 0.000 0.818 1252 A HN 0.394 nan 8.150 nan 0.000 0.443 1253 R N -2.314 118.140 120.500 -0.076 0.000 2.092 1253 R HA -0.121 4.239 4.340 0.033 0.000 0.231 1253 R C 2.138 178.214 176.300 -0.374 0.000 1.119 1253 R CA 1.547 57.452 56.100 -0.326 0.000 0.970 1253 R CB -0.464 29.506 30.300 -0.549 0.000 0.864 1253 R HN 0.740 nan 8.270 nan 0.000 0.440 1254 Y N 1.835 122.074 120.300 -0.102 0.000 2.181 1254 Y HA -0.255 4.313 4.550 0.030 0.000 0.288 1254 Y C 2.174 178.192 175.900 0.197 0.000 1.146 1254 Y CA 1.658 59.884 58.100 0.210 0.000 1.164 1254 Y CB 0.012 38.682 38.460 0.350 0.000 0.982 1254 Y HN 0.048 nan 8.280 nan 0.000 0.515 1255 Q N -0.189 119.659 119.800 0.080 0.000 2.119 1255 Q HA -0.156 4.204 4.340 0.033 0.000 0.201 1255 Q C 2.515 178.448 176.000 -0.113 0.000 0.972 1255 Q CA 1.147 56.937 55.803 -0.022 0.000 0.847 1255 Q CB -0.301 28.476 28.738 0.063 0.000 0.903 1255 Q HN 0.636 nan 8.270 nan 0.000 0.433 1256 A N 0.427 123.180 122.820 -0.112 0.000 1.902 1256 A HA -0.206 4.134 4.320 0.033 0.000 0.217 1256 A C 1.731 179.235 177.584 -0.132 0.000 1.181 1256 A CA 1.321 53.285 52.037 -0.122 0.000 0.623 1256 A CB -1.015 17.904 19.000 -0.134 0.000 0.818 1256 A HN 0.667 nan 8.150 nan 0.000 0.443 1257 W N 1.347 122.459 121.300 -0.313 0.000 2.355 1257 W HA -0.202 4.475 4.660 0.029 0.000 0.309 1257 W C 1.837 178.274 176.519 -0.137 0.000 1.206 1257 W CA 1.829 59.047 57.345 -0.211 0.000 1.284 1257 W CB -0.345 28.991 29.460 -0.206 0.000 1.145 1257 W HN 0.405 nan 8.180 nan 0.000 0.502 1258 N N -0.342 118.014 118.700 -0.573 0.000 2.166 1258 N HA -0.174 4.586 4.740 0.033 0.000 0.186 1258 N C 1.628 176.864 175.510 -0.457 0.000 1.019 1258 N CA 2.514 55.108 53.050 -0.760 0.000 0.856 1258 N CB -0.756 37.429 38.487 -0.503 0.000 0.993 1258 N HN 0.166 nan 8.380 nan 0.000 0.426 1259 T N 0.001 114.379 114.554 -0.294 0.000 2.746 1259 T HA -0.027 4.343 4.350 0.033 0.000 0.267 1259 T C 1.836 176.424 174.700 -0.187 0.000 1.039 1259 T CA 1.425 63.415 62.100 -0.184 0.000 1.142 1259 T CB -0.549 68.246 68.868 -0.121 0.000 0.866 1259 T HN 0.411 nan 8.240 nan 0.000 0.444 1260 A N 0.808 123.494 122.820 -0.223 0.000 1.902 1260 A HA -0.024 4.316 4.320 0.033 0.000 0.217 1260 A C 2.016 179.476 177.584 -0.206 0.000 1.181 1260 A CA 1.272 53.203 52.037 -0.176 0.000 0.623 1260 A CB -0.995 17.928 19.000 -0.128 0.000 0.818 1260 A HN 0.467 nan 8.150 nan 0.000 0.443 1261 F N 1.228 120.845 119.950 -0.555 0.000 2.102 1261 F HA -0.169 4.375 4.527 0.027 0.000 0.298 1261 F C 2.662 178.287 175.800 -0.292 0.000 1.105 1261 F CA 1.961 59.657 58.000 -0.505 0.000 1.239 1261 F CB -0.216 38.206 39.000 -0.963 0.000 0.991 1261 F HN 0.203 nan 8.300 nan 0.000 0.474 1262 S N -0.033 115.599 115.700 -0.113 0.000 2.382 1262 S HA -0.137 4.353 4.470 0.033 0.000 0.228 1262 S C 2.318 176.866 174.600 -0.086 0.000 1.027 1262 S CA 1.031 59.182 58.200 -0.081 0.000 0.991 1262 S CB -1.158 62.000 63.200 -0.070 0.000 0.823 1262 S HN 0.607 nan 8.310 nan 0.000 0.469 1263 G N 1.501 110.240 108.800 -0.101 0.000 2.440 1263 G HA2 -0.226 3.755 3.960 0.033 0.000 0.218 1263 G HA3 -0.226 3.755 3.960 0.033 0.000 0.218 1263 G C 1.414 176.270 174.900 -0.073 0.000 1.154 1263 G CA 0.661 45.718 45.100 -0.071 0.000 0.767 1263 G HN 0.361 nan 8.290 nan 0.000 0.552 1264 Q N 0.299 120.016 119.800 -0.137 0.000 2.079 1264 Q HA -0.041 4.319 4.340 0.033 0.000 0.200 1264 Q C 2.426 178.374 176.000 -0.087 0.000 0.974 1264 Q CA 1.339 57.061 55.803 -0.135 0.000 0.840 1264 Q CB -0.458 28.137 28.738 -0.237 0.000 0.898 1264 Q HN 0.627 nan 8.270 nan 0.000 0.430 1265 K N 0.869 121.189 120.400 -0.134 0.000 2.032 1265 K HA -0.197 4.143 4.320 0.033 0.000 0.209 1265 K C 1.237 177.961 176.600 0.206 0.000 1.048 1265 K CA 1.765 58.070 56.287 0.029 0.000 0.927 1265 K CB 0.043 32.507 32.500 -0.060 0.000 0.712 1265 K HN 0.021 nan 8.250 nan 0.000 0.441 1266 D N 0.461 120.927 120.400 0.110 0.000 2.178 1266 D HA -0.149 4.511 4.640 0.033 0.000 0.202 1266 D C 1.727 178.087 176.300 0.100 0.000 0.974 1266 D CA 0.682 54.761 54.000 0.132 0.000 0.841 1266 D CB -0.419 40.422 40.800 0.068 0.000 0.953 1266 D HN 0.279 nan 8.370 nan 0.000 0.478 1267 N N 0.891 119.627 118.700 0.060 0.000 2.084 1267 N HA -0.092 4.668 4.740 0.033 0.000 0.190 1267 N C 1.885 177.427 175.510 0.054 0.000 1.030 1267 N CA 0.617 53.692 53.050 0.042 0.000 0.849 1267 N CB -0.203 38.297 38.487 0.022 0.000 1.012 1267 N HN 0.208 nan 8.380 nan 0.000 0.423 1268 I N 0.734 121.360 120.570 0.092 0.000 2.226 1268 I HA -0.263 3.927 4.170 0.033 0.000 0.245 1268 I C 2.572 178.666 176.117 -0.037 0.000 1.100 1268 I CA 0.963 62.312 61.300 0.082 0.000 1.374 1268 I CB -0.335 37.751 38.000 0.144 0.000 1.057 1268 I HN 0.319 nan 8.210 nan 0.000 0.413 1269 Q N 1.156 120.982 119.800 0.043 0.000 2.084 1269 Q HA -0.262 4.098 4.340 0.033 0.000 0.202 1269 Q C 2.142 178.094 176.000 -0.080 0.000 0.978 1269 Q CA 1.725 57.515 55.803 -0.023 0.000 0.844 1269 Q CB -0.177 28.704 28.738 0.239 0.000 0.898 1269 Q HN 0.480 nan 8.270 nan 0.000 0.426 1270 N N 0.162 118.854 118.700 -0.013 0.000 2.166 1270 N HA -0.172 4.588 4.740 0.033 0.000 0.186 1270 N C 1.016 176.491 175.510 -0.059 0.000 1.019 1270 N CA 1.508 54.543 53.050 -0.025 0.000 0.856 1270 N CB -0.044 38.444 38.487 0.002 0.000 0.993 1270 N HN 0.286 nan 8.380 nan 0.000 0.426 1271 D N 0.361 120.724 120.400 -0.061 0.000 2.123 1271 D HA -0.104 4.556 4.640 0.033 0.000 0.196 1271 D C 2.063 178.289 176.300 -0.124 0.000 0.992 1271 D CA 0.739 54.705 54.000 -0.057 0.000 0.833 1271 D CB -0.236 40.559 40.800 -0.008 0.000 0.954 1271 D HN 0.119 nan 8.370 nan 0.000 0.455 1272 V N 0.615 120.362 119.914 -0.279 0.000 2.379 1272 V HA -0.214 3.926 4.120 0.033 0.000 0.245 1272 V C 2.493 178.403 176.094 -0.307 0.000 1.044 1272 V CA 1.325 63.352 62.300 -0.455 0.000 1.036 1272 V CB -0.457 30.662 31.823 -1.173 0.000 0.664 1272 V HN 0.091 nan 8.190 nan 0.000 0.453 1273 Q N 0.611 120.271 119.800 -0.235 0.000 2.077 1273 Q HA -0.219 4.141 4.340 0.033 0.000 0.206 1273 Q C 2.158 178.123 176.000 -0.057 0.000 0.989 1273 Q CA 2.828 58.565 55.803 -0.110 0.000 0.853 1273 Q CB -0.787 27.916 28.738 -0.058 0.000 0.907 1273 Q HN 0.604 nan 8.270 nan 0.000 0.418 1274 T N 0.547 115.072 114.554 -0.049 0.000 2.684 1274 T HA -0.129 4.241 4.350 0.033 0.000 0.267 1274 T C 1.438 176.149 174.700 0.019 0.000 1.036 1274 T CA 1.348 63.441 62.100 -0.012 0.000 1.148 1274 T CB -0.234 68.628 68.868 -0.011 0.000 0.863 1274 T HN 0.137 nan 8.240 nan 0.000 0.436 1275 L N 0.762 121.991 121.223 0.011 0.000 2.141 1275 L HA 0.027 4.387 4.340 0.033 0.000 0.209 1275 L C 2.547 179.490 176.870 0.122 0.000 1.094 1275 L CA 0.990 55.878 54.840 0.080 0.000 0.763 1275 L CB -1.063 41.026 42.059 0.049 0.000 0.908 1275 L HN 0.140 nan 8.230 nan 0.000 0.437 1276 V N -0.720 119.223 119.914 0.048 0.000 2.427 1276 V HA -0.249 3.891 4.120 0.033 0.000 0.248 1276 V C 2.367 178.537 176.094 0.127 0.000 1.051 1276 V CA 1.361 63.720 62.300 0.098 0.000 1.048 1276 V CB -0.435 31.399 31.823 0.018 0.000 0.666 1276 V HN 0.472 nan 8.190 nan 0.000 0.456 1277 E N -0.040 120.201 120.200 0.069 0.000 2.110 1277 E HA -0.222 4.148 4.350 0.033 0.000 0.193 1277 E C 2.272 178.911 176.600 0.065 0.000 0.988 1277 E CA 1.155 57.585 56.400 0.050 0.000 0.804 1277 E CB -0.112 29.602 29.700 0.023 0.000 0.745 1277 E HN 0.582 nan 8.360 nan 0.000 0.458 1278 K N -0.043 120.418 120.400 0.101 0.000 2.097 1278 K HA -0.162 4.178 4.320 0.033 0.000 0.205 1278 K C 2.086 178.698 176.600 0.020 0.000 1.050 1278 K CA 1.053 57.413 56.287 0.123 0.000 0.938 1278 K CB -0.212 32.423 32.500 0.224 0.000 0.718 1278 K HN 0.147 nan 8.250 nan 0.000 0.442 1279 Y N 1.698 121.935 120.300 -0.105 0.000 2.181 1279 Y HA -0.247 4.325 4.550 0.036 0.000 0.288 1279 Y C 2.605 178.377 175.900 -0.213 0.000 1.146 1279 Y CA 1.495 59.410 58.100 -0.309 0.000 1.164 1279 Y CB -0.592 37.831 38.460 -0.061 0.000 0.982 1279 Y HN -0.033 nan 8.280 nan 0.000 0.515 1280 S N -0.691 114.891 115.700 -0.197 0.000 2.365 1280 S HA -0.311 4.179 4.470 0.033 0.000 0.225 1280 S C 2.263 176.749 174.600 -0.191 0.000 1.039 1280 S CA 1.691 59.752 58.200 -0.232 0.000 1.033 1280 S CB -0.947 62.213 63.200 -0.067 0.000 0.887 1280 S HN 0.799 nan 8.310 nan 0.000 0.447 1281 H N 0.357 119.317 119.070 -0.182 0.000 2.352 1281 H HA -0.136 4.439 4.556 0.033 0.000 0.299 1281 H C 2.302 177.524 175.328 -0.176 0.000 1.097 1281 H CA 2.107 58.071 56.048 -0.142 0.000 1.311 1281 H CB -0.327 29.380 29.762 -0.092 0.000 1.377 1281 H HN 0.533 nan 8.280 nan 0.000 0.504 1282 Q N 1.015 120.606 119.800 -0.348 0.000 2.084 1282 Q HA -0.142 4.218 4.340 0.033 0.000 0.202 1282 Q C 1.883 177.714 176.000 -0.282 0.000 0.978 1282 Q CA 1.969 57.547 55.803 -0.376 0.000 0.844 1282 Q CB -0.340 28.035 28.738 -0.605 0.000 0.898 1282 Q HN 0.363 nan 8.270 nan 0.000 0.426 1283 N N -0.231 118.253 118.700 -0.360 0.000 2.166 1283 N HA -0.122 4.638 4.740 0.033 0.000 0.186 1283 N C 1.672 177.140 175.510 -0.070 0.000 1.019 1283 N CA 1.345 54.275 53.050 -0.200 0.000 0.856 1283 N CB -0.625 37.659 38.487 -0.339 0.000 0.993 1283 N HN 0.366 nan 8.380 nan 0.000 0.426 1284 S N 1.036 116.644 115.700 -0.154 0.000 2.356 1284 S HA -0.084 4.406 4.470 0.033 0.000 0.223 1284 S C 1.646 176.163 174.600 -0.138 0.000 1.032 1284 S CA 1.068 59.194 58.200 -0.124 0.000 1.005 1284 S CB -0.170 62.947 63.200 -0.139 0.000 0.867 1284 S HN 0.243 nan 8.310 nan 0.000 0.449 1285 N N 0.614 119.167 118.700 -0.245 0.000 2.149 1285 N HA -0.087 4.673 4.740 0.033 0.000 0.188 1285 N C 1.389 176.854 175.510 -0.074 0.000 1.019 1285 N CA 1.357 54.290 53.050 -0.195 0.000 0.857 1285 N CB -0.743 37.591 38.487 -0.255 0.000 0.997 1285 N HN 0.576 nan 8.380 nan 0.000 0.426 1286 F N 2.003 121.874 119.950 -0.131 0.000 2.102 1286 F HA -0.158 4.390 4.527 0.036 0.000 0.298 1286 F C 1.743 177.503 175.800 -0.067 0.000 1.105 1286 F CA 1.401 59.353 58.000 -0.081 0.000 1.239 1286 F CB -0.205 38.752 39.000 -0.072 0.000 0.991 1286 F HN -0.096 nan 8.300 nan 0.000 0.474 1287 D N 0.365 120.798 120.400 0.054 0.000 2.123 1287 D HA -0.200 4.460 4.640 0.033 0.000 0.196 1287 D C 1.913 178.122 176.300 -0.150 0.000 0.992 1287 D CA 1.380 55.359 54.000 -0.035 0.000 0.833 1287 D CB -0.608 40.221 40.800 0.049 0.000 0.954 1287 D HN 0.296 nan 8.370 nan 0.000 0.455 1288 N N 0.322 118.946 118.700 -0.128 0.000 2.120 1288 N HA -0.114 4.646 4.740 0.033 0.000 0.188 1288 N C 1.846 177.259 175.510 -0.163 0.000 1.024 1288 N CA 0.264 53.241 53.050 -0.123 0.000 0.852 1288 N CB -0.485 37.943 38.487 -0.098 0.000 1.003 1288 N HN 0.166 nan 8.380 nan 0.000 0.424 1289 L N 0.946 122.035 121.223 -0.224 0.000 2.012 1289 L HA -0.107 4.253 4.340 0.033 0.000 0.210 1289 L C 1.974 178.668 176.870 -0.293 0.000 1.073 1289 L CA 1.394 56.084 54.840 -0.249 0.000 0.748 1289 L CB -0.649 41.241 42.059 -0.282 0.000 0.891 1289 L HN -0.082 nan 8.230 nan 0.000 0.431 1290 V N -0.300 119.351 119.914 -0.438 0.000 2.343 1290 V HA -0.301 3.839 4.120 0.033 0.000 0.247 1290 V C 2.595 178.577 176.094 -0.186 0.000 1.051 1290 V CA 2.135 64.226 62.300 -0.348 0.000 1.036 1290 V CB -0.682 30.898 31.823 -0.403 0.000 0.654 1290 V HN 0.471 nan 8.190 nan 0.000 0.451 1291 K N -0.362 119.945 120.400 -0.155 0.000 2.097 1291 K HA -0.128 4.212 4.320 0.033 0.000 0.206 1291 K C 2.058 178.609 176.600 -0.083 0.000 1.049 1291 K CA 1.317 57.547 56.287 -0.095 0.000 0.933 1291 K CB -0.381 32.073 32.500 -0.076 0.000 0.717 1291 K HN 0.320 nan 8.250 nan 0.000 0.442 1292 V N 1.793 121.650 119.914 -0.094 0.000 2.295 1292 V HA -0.238 3.902 4.120 0.033 0.000 0.246 1292 V C 2.192 178.245 176.094 -0.069 0.000 1.049 1292 V CA 1.621 63.876 62.300 -0.075 0.000 1.024 1292 V CB -0.378 31.400 31.823 -0.075 0.000 0.648 1292 V HN 0.274 nan 8.190 nan 0.000 0.447 1293 L N -0.356 120.814 121.223 -0.087 0.000 2.093 1293 L HA -0.141 4.219 4.340 0.033 0.000 0.208 1293 L C 2.613 179.449 176.870 -0.057 0.000 1.085 1293 L CA 1.561 56.358 54.840 -0.072 0.000 0.755 1293 L CB -0.585 41.421 42.059 -0.089 0.000 0.904 1293 L HN 0.301 nan 8.230 nan 0.000 0.435 1294 S N 0.025 115.688 115.700 -0.062 0.000 2.368 1294 S HA -0.117 4.373 4.470 0.033 0.000 0.225 1294 S C 2.040 176.619 174.600 -0.036 0.000 1.030 1294 S CA 1.220 59.392 58.200 -0.045 0.000 0.999 1294 S CB -0.595 62.577 63.200 -0.046 0.000 0.844 1294 S HN 0.601 nan 8.310 nan 0.000 0.459 1295 G N 1.427 110.204 108.800 -0.038 0.000 2.418 1295 G HA2 -0.061 3.919 3.960 0.033 0.000 0.217 1295 G HA3 -0.061 3.919 3.960 0.033 0.000 0.217 1295 G C 1.575 176.458 174.900 -0.027 0.000 1.158 1295 G CA 0.916 45.998 45.100 -0.030 0.000 0.771 1295 G HN 0.568 nan 8.290 nan 0.000 0.545 1296 A N 0.870 123.672 122.820 -0.030 0.000 1.883 1296 A HA -0.010 4.330 4.320 0.033 0.000 0.217 1296 A C 2.409 179.981 177.584 -0.021 0.000 1.186 1296 A CA 1.438 53.460 52.037 -0.025 0.000 0.624 1296 A CB -0.424 18.559 19.000 -0.028 0.000 0.822 1296 A HN 0.373 nan 8.150 nan 0.000 0.444 1297 I N -0.735 119.822 120.570 -0.023 0.000 2.226 1297 I HA -0.226 3.964 4.170 0.033 0.000 0.245 1297 I C 2.853 178.961 176.117 -0.015 0.000 1.100 1297 I CA 1.465 62.754 61.300 -0.018 0.000 1.374 1297 I CB -0.226 37.763 38.000 -0.019 0.000 1.057 1297 I HN 0.424 nan 8.210 nan 0.000 0.413 1298 S N 0.088 115.778 115.700 -0.016 0.000 2.348 1298 S HA -0.211 4.279 4.470 0.033 0.000 0.221 1298 S C 2.118 176.711 174.600 -0.012 0.000 1.033 1298 S CA 2.349 60.541 58.200 -0.014 0.000 1.010 1298 S CB -0.346 62.845 63.200 -0.015 0.000 0.891 1298 S HN 0.417 nan 8.310 nan 0.000 0.442 1299 T N 2.620 117.166 114.554 -0.013 0.000 2.720 1299 T HA -0.009 4.361 4.350 0.033 0.000 0.268 1299 T C 1.710 176.404 174.700 -0.010 0.000 1.037 1299 T CA 1.538 63.630 62.100 -0.012 0.000 1.144 1299 T CB -0.390 68.470 68.868 -0.013 0.000 0.864 1299 T HN 0.324 nan 8.240 nan 0.000 0.444 1300 L N 0.544 121.761 121.223 -0.011 0.000 2.217 1300 L HA -0.054 4.306 4.340 0.033 0.000 0.211 1300 L C 2.806 179.671 176.870 -0.008 0.000 1.107 1300 L CA 0.934 55.768 54.840 -0.009 0.000 0.783 1300 L CB -0.731 41.322 42.059 -0.010 0.000 0.919 1300 L HN 0.268 nan 8.230 nan 0.000 0.442 1301 T N -1.038 113.511 114.554 -0.008 0.000 2.812 1301 T HA -0.132 4.238 4.350 0.033 0.000 0.264 1301 T C 1.374 176.071 174.700 -0.006 0.000 1.042 1301 T CA 1.260 63.356 62.100 -0.007 0.000 1.140 1301 T CB -0.140 68.724 68.868 -0.007 0.000 0.870 1301 T HN 0.304 nan 8.240 nan 0.000 0.445 1302 D N 1.699 122.095 120.400 -0.007 0.000 2.097 1302 D HA -0.058 4.602 4.640 0.033 0.000 0.197 1302 D C 1.993 178.290 176.300 -0.005 0.000 0.984 1302 D CA 1.367 55.364 54.000 -0.006 0.000 0.826 1302 D CB -0.663 40.133 40.800 -0.007 0.000 0.973 1302 D HN 0.499 nan 8.370 nan 0.000 0.460 1303 T N -1.424 113.126 114.554 -0.006 0.000 3.418 1303 T HA 0.626 4.996 4.350 0.033 0.000 0.239 1303 T C 0.142 174.839 174.700 -0.005 0.000 0.905 1303 T CA -0.437 61.659 62.100 -0.005 0.000 0.929 1303 T CB -0.213 68.652 68.868 -0.006 0.000 1.121 1303 T HN 0.113 nan 8.240 nan 0.000 0.608 1304 A N 0.000 122.817 122.820 -0.004 0.000 2.254 1304 A HA 0.000 4.340 4.320 0.033 0.000 0.244 1304 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 1304 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 1304 A HN 0.000 nan 8.150 nan 0.000 0.486