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 1oxw_1_B DATA FIRST_RESID 1024 DATA SEQUENCE QLGEXVTVLS IDGGGIRGII PATILEFLEG QLQEXDNNAD ARLADYFDVI DATA SEQUENCE GGTSTGGLLT AXISTPNENN RPFAAAKEIV PFYFEHGPQI FNPSGQILGP DATA SEQUENCE KYDGKYLXQV LQEKLGETRV HQALTEVVIS SFDIKTNKPV IFTKSNLANS DATA SEQUENCE PELDAKXYDI SYSTAAAPTY FPPHYFVTNT SNGDEYEFNL VDGAVATVAD DATA SEQUENCE PALLSISVAT RLAQKDPAFA SIRSLNYKKX LLLSLGTGTT SEFDKTYTAK DATA SEQUENCE EAATWTAVHW XLVIQKXTDA ASSYXTDYYL STAFQALDSK NNYLRVQENA DATA SEQUENCE LTGTTTEXDD ASEANXELLV QVGENLLKKP VSEDNPETYE EALKRFAKLL DATA SEQUENCE SDRKKLRAN 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 1024 Q HA 0.000 nan 4.340 nan 0.000 0.214 1024 Q C 0.000 175.995 176.000 -0.008 0.000 1.003 1024 Q CA 0.000 55.802 55.803 -0.001 0.000 1.022 1024 Q CB 0.000 28.741 28.738 0.006 0.000 1.108 1025 L N 1.615 122.829 121.223 -0.016 0.000 2.040 1025 L HA -0.266 4.074 4.340 -0.000 0.000 0.228 1025 L C 2.081 178.931 176.870 -0.033 0.000 1.092 1025 L CA 2.564 57.386 54.840 -0.030 0.000 0.805 1025 L CB -0.813 41.224 42.059 -0.037 0.000 0.905 1025 L HN 0.566 nan 8.230 nan 0.000 0.443 1026 G N -1.285 107.496 108.800 -0.032 0.000 2.479 1026 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 1026 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 1026 G C 0.914 175.791 174.900 -0.037 0.000 1.115 1026 G CA 0.203 45.281 45.100 -0.038 0.000 0.757 1026 G HN 0.402 nan 8.290 nan 0.000 0.560 1030 T N 1.369 116.023 114.554 0.166 0.000 2.824 1030 T HA 0.899 5.249 4.350 -0.000 0.000 0.280 1030 T C -0.754 174.223 174.700 0.461 0.000 0.995 1030 T CA -0.789 61.468 62.100 0.262 0.000 1.009 1030 T CB 1.861 70.781 68.868 0.088 0.000 0.955 1030 T HN 0.574 nan 8.240 nan 0.000 0.452 1031 V N 3.284 123.539 119.914 0.568 0.000 2.841 1031 V HA 0.662 4.782 4.120 -0.000 0.000 0.310 1031 V C -1.022 175.244 176.094 0.287 0.000 1.090 1031 V CA -0.985 61.571 62.300 0.427 0.000 0.930 1031 V CB 1.910 33.886 31.823 0.255 0.000 1.014 1031 V HN 0.970 nan 8.190 nan 0.000 0.425 1032 L N 3.223 124.362 121.223 -0.140 0.000 2.362 1032 L HA 0.867 5.207 4.340 -0.000 0.000 0.275 1032 L C -0.368 176.369 176.870 -0.222 0.000 0.998 1032 L CA 0.322 54.843 54.840 -0.532 0.000 0.820 1032 L CB 2.024 43.286 42.059 -1.329 0.000 1.270 1032 L HN 0.673 nan 8.230 nan 0.000 0.415 1033 S N 4.957 120.573 115.700 -0.140 0.000 2.532 1033 S HA 0.834 5.304 4.470 -0.000 0.000 0.299 1033 S C -0.964 173.599 174.600 -0.062 0.000 1.105 1033 S CA -0.457 57.710 58.200 -0.056 0.000 1.018 1033 S CB 0.796 64.008 63.200 0.020 0.000 1.021 1033 S HN 0.501 nan 8.310 nan 0.000 0.483 1034 I N 3.641 124.188 120.570 -0.039 0.000 2.447 1034 I HA 0.354 4.524 4.170 -0.000 0.000 0.287 1034 I C -0.623 175.494 176.117 0.001 0.000 1.023 1034 I CA -0.710 60.572 61.300 -0.029 0.000 1.083 1034 I CB 1.911 39.892 38.000 -0.032 0.000 1.245 1034 I HN 0.449 nan 8.210 nan 0.000 0.434 1035 D N 3.749 124.152 120.400 0.004 0.000 2.361 1035 D HA 0.314 4.954 4.640 -0.000 0.000 0.239 1035 D C 0.610 176.922 176.300 0.020 0.000 1.200 1035 D CA 0.244 54.254 54.000 0.017 0.000 0.915 1035 D CB 0.788 41.595 40.800 0.012 0.000 1.170 1035 D HN 0.645 nan 8.370 nan 0.000 0.444 1036 G N -1.621 107.194 108.800 0.026 0.000 2.563 1036 G HA2 0.485 4.445 3.960 -0.000 0.000 0.283 1036 G HA3 0.485 4.445 3.960 -0.000 0.000 0.283 1036 G C 0.487 175.392 174.900 0.008 0.000 1.309 1036 G CA -0.191 44.926 45.100 0.027 0.000 1.022 1036 G HN 0.713 nan 8.290 nan 0.000 0.501 1037 G N -2.516 106.283 108.800 -0.001 0.000 3.216 1037 G HA2 0.456 4.415 3.960 -0.000 0.000 0.221 1037 G HA3 0.456 4.415 3.960 -0.000 0.000 0.221 1037 G C 0.987 175.847 174.900 -0.066 0.000 0.949 1037 G CA 0.777 45.853 45.100 -0.040 0.000 0.952 1037 G HN 2.287 nan 8.290 nan 0.000 0.657 1038 G N 0.652 109.454 108.800 0.004 0.000 2.651 1038 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.315 1038 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.315 1038 G C 1.263 176.153 174.900 -0.016 0.000 1.258 1038 G CA 1.002 46.152 45.100 0.082 0.000 1.002 1038 G HN 1.240 nan 8.290 nan 0.000 0.551 1039 I N 2.003 122.446 120.570 -0.212 0.000 2.567 1039 I HA 0.010 4.180 4.170 -0.000 0.000 0.257 1039 I C 2.667 178.547 176.117 -0.396 0.000 1.184 1039 I CA 1.728 62.830 61.300 -0.331 0.000 1.451 1039 I CB -0.241 37.527 38.000 -0.387 0.000 1.089 1039 I HN 0.469 nan 8.210 nan 0.000 0.441 1040 R N 0.008 120.351 120.500 -0.263 0.000 2.328 1040 R HA -0.023 4.317 4.340 -0.000 0.000 0.207 1040 R C 2.119 178.309 176.300 -0.183 0.000 1.056 1040 R CA 0.721 56.703 56.100 -0.197 0.000 1.016 1040 R CB -0.625 29.597 30.300 -0.130 0.000 0.872 1040 R HN 0.516 nan 8.270 nan 0.000 0.471 1041 G N 1.051 109.708 108.800 -0.239 0.000 2.527 1041 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.219 1041 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.219 1041 G C 1.332 176.192 174.900 -0.067 0.000 1.117 1041 G CA 0.235 45.277 45.100 -0.097 0.000 0.759 1041 G HN 0.236 nan 8.290 nan 0.000 0.556 1042 I N 0.260 120.652 120.570 -0.296 0.000 2.286 1042 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 1042 I C 2.575 178.720 176.117 0.047 0.000 1.115 1042 I CA 0.716 61.989 61.300 -0.045 0.000 1.392 1042 I CB -0.095 37.849 38.000 -0.093 0.000 1.065 1042 I HN 0.209 nan 8.210 nan 0.000 0.418 1043 I N 1.147 121.706 120.570 -0.017 0.000 2.113 1043 I HA -0.185 3.985 4.170 -0.000 0.000 0.238 1043 I C -0.344 175.773 176.117 -0.000 0.000 1.070 1043 I CA 1.461 62.754 61.300 -0.012 0.000 1.332 1043 I CB -1.885 36.088 38.000 -0.046 0.000 1.044 1043 I HN 0.152 nan 8.210 nan 0.000 0.402 1044 P HA -0.176 nan 4.420 nan 0.000 0.218 1044 P C 1.379 178.704 177.300 0.042 0.000 1.148 1044 P CA 1.970 65.066 63.100 -0.006 0.000 0.822 1044 P CB -0.068 31.627 31.700 -0.007 0.000 0.784 1045 A N -0.153 122.732 122.820 0.108 0.000 1.902 1045 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 1045 A C 2.379 180.037 177.584 0.123 0.000 1.181 1045 A CA 2.412 54.539 52.037 0.149 0.000 0.623 1045 A CB -1.936 17.235 19.000 0.285 0.000 0.818 1045 A HN 0.170 nan 8.150 nan 0.000 0.443 1046 T N 0.464 115.087 114.554 0.114 0.000 2.746 1046 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 1046 T C 1.788 176.545 174.700 0.094 0.000 1.039 1046 T CA 1.467 63.628 62.100 0.101 0.000 1.142 1046 T CB -0.289 68.624 68.868 0.076 0.000 0.866 1046 T HN 0.316 nan 8.240 nan 0.000 0.444 1047 I N 1.014 121.615 120.570 0.051 0.000 2.226 1047 I HA -0.062 4.108 4.170 -0.000 0.000 0.245 1047 I C 2.313 178.501 176.117 0.118 0.000 1.100 1047 I CA 1.252 62.579 61.300 0.046 0.000 1.374 1047 I CB -1.250 36.721 38.000 -0.049 0.000 1.057 1047 I HN 0.282 nan 8.210 nan 0.000 0.413 1048 L N 0.138 121.407 121.223 0.077 0.000 2.141 1048 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 1048 L C 2.531 179.456 176.870 0.091 0.000 1.094 1048 L CA 1.022 55.907 54.840 0.075 0.000 0.763 1048 L CB -0.408 41.676 42.059 0.042 0.000 0.908 1048 L HN 0.317 nan 8.230 nan 0.000 0.437 1049 E N 0.205 120.469 120.200 0.105 0.000 2.051 1049 E HA -0.274 4.076 4.350 -0.000 0.000 0.192 1049 E C 2.129 178.786 176.600 0.094 0.000 0.991 1049 E CA 1.334 57.788 56.400 0.090 0.000 0.799 1049 E CB -0.092 29.669 29.700 0.101 0.000 0.748 1049 E HN 0.395 nan 8.360 nan 0.000 0.449 1050 F N 1.032 120.990 119.950 0.013 0.000 2.134 1050 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 1050 F C 2.004 177.808 175.800 0.007 0.000 1.097 1050 F CA 1.141 59.147 58.000 0.010 0.000 1.264 1050 F CB -0.207 38.797 39.000 0.008 0.000 1.001 1050 F HN 0.109 nan 8.300 nan 0.000 0.479 1051 L N 0.874 122.144 121.223 0.078 0.000 2.005 1051 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 1051 L C 2.364 179.162 176.870 -0.119 0.000 1.072 1051 L CA 2.207 57.038 54.840 -0.015 0.000 0.744 1051 L CB -1.221 40.911 42.059 0.121 0.000 0.895 1051 L HN 0.314 nan 8.230 nan 0.000 0.433 1052 E N -0.971 119.197 120.200 -0.053 0.000 2.118 1052 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 1052 E C 2.035 178.570 176.600 -0.109 0.000 0.992 1052 E CA 1.012 57.377 56.400 -0.058 0.000 0.804 1052 E CB -0.394 29.310 29.700 0.007 0.000 0.741 1052 E HN 0.668 nan 8.360 nan 0.000 0.458 1053 G N 0.423 109.135 108.800 -0.147 0.000 2.402 1053 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 1053 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 1053 G C 1.521 176.288 174.900 -0.222 0.000 1.162 1053 G CA 0.334 45.336 45.100 -0.165 0.000 0.777 1053 G HN 0.154 nan 8.290 nan 0.000 0.539 1054 Q N 0.135 119.724 119.800 -0.352 0.000 2.061 1054 Q HA 0.014 4.353 4.340 -0.000 0.000 0.204 1054 Q C 2.802 178.678 176.000 -0.207 0.000 0.984 1054 Q CA 0.884 56.492 55.803 -0.325 0.000 0.846 1054 Q CB -0.485 28.006 28.738 -0.412 0.000 0.902 1054 Q HN 0.513 nan 8.270 nan 0.000 0.421 1055 L N 0.342 121.430 121.223 -0.225 0.000 2.083 1055 L HA -0.223 4.116 4.340 -0.000 0.000 0.209 1055 L C 2.530 179.334 176.870 -0.110 0.000 1.083 1055 L CA 1.148 55.837 54.840 -0.251 0.000 0.752 1055 L CB -0.344 41.412 42.059 -0.504 0.000 0.899 1055 L HN 0.264 nan 8.230 nan 0.000 0.433 1056 Q N -0.275 119.478 119.800 -0.079 0.000 2.079 1056 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 1056 Q C 1.136 177.119 176.000 -0.029 0.000 0.974 1056 Q CA 0.837 56.627 55.803 -0.022 0.000 0.840 1056 Q CB 0.044 28.767 28.738 -0.024 0.000 0.898 1056 Q HN 0.443 nan 8.270 nan 0.000 0.430 1060 N N 1.646 120.350 118.700 0.008 0.000 2.698 1060 N HA -0.239 4.501 4.740 -0.000 0.000 0.258 1060 N C -0.843 174.671 175.510 0.008 0.000 0.978 1060 N CA 0.805 53.857 53.050 0.003 0.000 0.777 1060 N CB -0.790 37.698 38.487 0.000 0.000 0.907 1060 N HN 0.250 nan 8.380 nan 0.000 0.543 1061 N N -0.539 118.170 118.700 0.015 0.000 2.664 1061 N HA 0.377 5.117 4.740 -0.000 0.000 0.268 1061 N C 0.352 175.874 175.510 0.020 0.000 1.222 1061 N CA 0.226 53.287 53.050 0.019 0.000 0.805 1061 N CB 0.959 39.464 38.487 0.030 0.000 1.399 1061 N HN 0.157 nan 8.380 nan 0.000 0.547 1062 A N 1.857 124.682 122.820 0.007 0.000 2.178 1062 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 1062 A C 1.139 178.729 177.584 0.009 0.000 1.157 1062 A CA 1.176 53.215 52.037 0.003 0.000 0.689 1062 A CB -0.034 18.963 19.000 -0.005 0.000 0.787 1062 A HN 0.606 nan 8.150 nan 0.000 0.465 1063 D N -0.075 120.333 120.400 0.013 0.000 2.355 1063 D HA 0.240 4.880 4.640 -0.000 0.000 0.218 1063 D C 0.873 177.194 176.300 0.035 0.000 1.004 1063 D CA 0.732 54.740 54.000 0.013 0.000 0.880 1063 D CB -0.137 40.666 40.800 0.004 0.000 0.911 1063 D HN 0.428 nan 8.370 nan 0.000 0.528 1064 A N 1.274 124.133 122.820 0.065 0.000 2.520 1064 A HA 0.260 4.580 4.320 -0.000 0.000 0.245 1064 A C 0.518 178.196 177.584 0.157 0.000 1.072 1064 A CA 0.187 52.309 52.037 0.141 0.000 0.761 1064 A CB 0.394 19.529 19.000 0.224 0.000 1.004 1064 A HN -0.093 nan 8.150 nan 0.000 0.499 1065 R N 2.113 122.730 120.500 0.195 0.000 2.807 1065 R HA 0.400 4.740 4.340 -0.000 0.000 0.276 1065 R C 0.954 177.436 176.300 0.303 0.000 0.979 1065 R CA -0.876 55.330 56.100 0.177 0.000 0.928 1065 R CB 1.127 31.488 30.300 0.101 0.000 1.191 1065 R HN 0.761 nan 8.270 nan 0.000 0.471 1066 L N 1.303 122.684 121.223 0.265 0.000 2.021 1066 L HA -0.278 4.062 4.340 -0.000 0.000 0.215 1066 L C 2.168 179.307 176.870 0.448 0.000 1.074 1066 L CA 2.217 57.285 54.840 0.379 0.000 0.760 1066 L CB -0.475 41.752 42.059 0.279 0.000 0.889 1066 L HN 0.778 nan 8.230 nan 0.000 0.433 1067 A N -0.737 122.248 122.820 0.274 0.000 2.186 1067 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 1067 A C 1.615 179.280 177.584 0.136 0.000 1.159 1067 A CA 1.708 53.871 52.037 0.211 0.000 0.680 1067 A CB -0.442 18.631 19.000 0.123 0.000 0.787 1067 A HN 0.421 nan 8.150 nan 0.000 0.467 1068 D N -2.074 118.375 120.400 0.082 0.000 2.348 1068 D HA 0.037 4.676 4.640 -0.000 0.000 0.211 1068 D C 0.505 176.547 176.300 -0.430 0.000 0.998 1068 D CA 0.861 54.729 54.000 -0.220 0.000 0.873 1068 D CB -0.029 40.510 40.800 -0.435 0.000 0.925 1068 D HN 0.690 nan 8.370 nan 0.000 0.524 1069 Y N -1.498 118.790 120.300 -0.019 0.000 2.423 1069 Y HA 0.274 4.824 4.550 -0.000 0.000 0.257 1069 Y C 0.247 175.979 175.900 -0.279 0.000 1.087 1069 Y CA -0.461 57.535 58.100 -0.173 0.000 1.258 1069 Y CB 0.369 38.664 38.460 -0.275 0.000 1.237 1069 Y HN -0.234 nan 8.280 nan 0.000 0.517 1070 F N 1.507 121.582 119.950 0.208 0.000 2.427 1070 F HA 0.275 4.802 4.527 -0.000 0.000 0.346 1070 F C 0.782 176.656 175.800 0.123 0.000 1.120 1070 F CA -0.828 57.275 58.000 0.170 0.000 1.033 1070 F CB 1.184 40.287 39.000 0.171 0.000 1.126 1070 F HN -0.016 nan 8.300 nan 0.000 0.462 1071 D N 1.870 122.445 120.400 0.290 0.000 2.224 1071 D HA 0.004 4.644 4.640 -0.000 0.000 0.205 1071 D C 0.208 176.706 176.300 0.329 0.000 0.965 1071 D CA 1.174 55.308 54.000 0.223 0.000 0.852 1071 D CB 0.473 41.349 40.800 0.126 0.000 0.947 1071 D HN 0.068 nan 8.370 nan 0.000 0.494 1072 V N 1.156 121.276 119.914 0.343 0.000 2.808 1072 V HA 0.392 4.512 4.120 -0.000 0.000 0.308 1072 V C -0.491 175.701 176.094 0.162 0.000 1.099 1072 V CA -0.744 61.703 62.300 0.246 0.000 0.920 1072 V CB 3.019 34.970 31.823 0.212 0.000 1.014 1072 V HN -0.118 nan 8.190 nan 0.000 0.425 1073 I N 3.138 123.759 120.570 0.084 0.000 2.468 1073 I HA 0.656 4.826 4.170 -0.000 0.000 0.285 1073 I C 0.388 176.505 176.117 -0.001 0.000 1.039 1073 I CA -0.330 60.965 61.300 -0.008 0.000 1.074 1073 I CB 2.073 40.063 38.000 -0.017 0.000 1.228 1073 I HN 0.757 nan 8.210 nan 0.000 0.436 1074 G N 3.512 112.302 108.800 -0.016 0.000 2.420 1074 G HA2 0.802 4.762 3.960 -0.000 0.000 0.331 1074 G HA3 0.802 4.762 3.960 -0.000 0.000 0.331 1074 G C -0.708 174.191 174.900 -0.002 0.000 1.168 1074 G CA -0.788 44.316 45.100 0.006 0.000 0.936 1074 G HN 0.782 nan 8.290 nan 0.000 0.479 1075 G N -0.529 108.280 108.800 0.016 0.000 2.742 1075 G HA2 0.590 4.550 3.960 -0.000 0.000 0.296 1075 G HA3 0.590 4.550 3.960 -0.000 0.000 0.296 1075 G C -1.129 173.792 174.900 0.036 0.000 1.436 1075 G CA -0.387 44.722 45.100 0.015 0.000 0.928 1075 G HN 0.648 nan 8.290 nan 0.000 0.520 1076 T N 0.663 115.240 114.554 0.039 0.000 2.876 1076 T HA 0.695 5.045 4.350 -0.000 0.000 0.289 1076 T C 0.610 175.336 174.700 0.043 0.000 1.014 1076 T CA 0.657 62.788 62.100 0.052 0.000 0.986 1076 T CB 1.622 70.527 68.868 0.062 0.000 1.021 1076 T HN 1.690 nan 8.240 nan 0.000 0.458 1077 S N 1.932 117.657 115.700 0.042 0.000 3.949 1077 S HA -0.287 4.183 4.470 -0.000 0.000 0.626 1077 S C 1.979 176.598 174.600 0.031 0.000 2.168 1077 S CA 2.439 60.657 58.200 0.030 0.000 4.124 1077 S CB -1.677 61.549 63.200 0.042 0.000 0.220 1077 S HN 1.206 nan 8.310 nan 0.000 0.750 1078 T N 0.360 114.957 114.554 0.072 0.000 2.977 1078 T HA 0.177 4.527 4.350 -0.000 0.000 0.271 1078 T C 1.840 176.600 174.700 0.100 0.000 1.105 1078 T CA 1.755 63.934 62.100 0.130 0.000 1.116 1078 T CB -1.182 67.836 68.868 0.251 0.000 0.878 1078 T HN 1.137 nan 8.240 nan 0.000 0.509 1079 G N 1.159 109.996 108.800 0.061 0.000 2.421 1079 G HA2 0.167 4.127 3.960 -0.000 0.000 0.217 1079 G HA3 0.167 4.127 3.960 -0.000 0.000 0.217 1079 G C 1.596 176.501 174.900 0.009 0.000 1.143 1079 G CA 0.408 45.530 45.100 0.035 0.000 0.784 1079 G HN 0.601 nan 8.290 nan 0.000 0.541 1080 G N 0.762 109.565 108.800 0.006 0.000 2.421 1080 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.217 1080 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.217 1080 G C 1.731 176.599 174.900 -0.054 0.000 1.143 1080 G CA 0.403 45.495 45.100 -0.013 0.000 0.784 1080 G HN 0.378 nan 8.290 nan 0.000 0.541 1081 L N -0.050 121.134 121.223 -0.064 0.000 2.027 1081 L HA -0.030 4.310 4.340 -0.000 0.000 0.206 1081 L C 2.710 179.481 176.870 -0.165 0.000 1.074 1081 L CA 0.552 55.311 54.840 -0.134 0.000 0.745 1081 L CB -0.667 41.312 42.059 -0.132 0.000 0.898 1081 L HN 0.193 nan 8.230 nan 0.000 0.433 1082 L N 0.171 121.330 121.223 -0.106 0.000 2.012 1082 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 1082 L C 2.450 179.271 176.870 -0.083 0.000 1.073 1082 L CA 2.109 56.888 54.840 -0.102 0.000 0.748 1082 L CB -1.296 40.751 42.059 -0.021 0.000 0.891 1082 L HN 0.170 nan 8.230 nan 0.000 0.431 1083 T N 0.768 115.285 114.554 -0.062 0.000 2.684 1083 T HA -0.055 4.295 4.350 -0.000 0.000 0.267 1083 T C 1.165 175.829 174.700 -0.059 0.000 1.036 1083 T CA 0.941 63.011 62.100 -0.049 0.000 1.148 1083 T CB -0.488 68.359 68.868 -0.034 0.000 0.863 1083 T HN 0.598 nan 8.240 nan 0.000 0.436 1087 S N -0.243 115.471 115.700 0.023 0.000 2.589 1087 S HA 0.291 4.761 4.470 -0.000 0.000 0.235 1087 S C 0.711 175.312 174.600 0.001 0.000 1.051 1087 S CA 0.279 58.490 58.200 0.018 0.000 0.978 1087 S CB 0.240 63.442 63.200 0.004 0.000 0.929 1087 S HN 0.295 nan 8.310 nan 0.000 0.523 1088 T N 6.010 120.557 114.554 -0.011 0.000 2.851 1088 T HA 0.413 4.763 4.350 -0.000 0.000 0.298 1088 T C -2.766 171.949 174.700 0.025 0.000 0.977 1088 T CA -0.979 61.096 62.100 -0.041 0.000 1.126 1088 T CB 1.216 70.010 68.868 -0.123 0.000 0.916 1088 T HN 0.314 nan 8.240 nan 0.000 0.529 1089 P HA 0.139 nan 4.420 nan 0.000 0.280 1089 P C -0.319 177.018 177.300 0.062 0.000 1.244 1089 P CA -0.539 62.578 63.100 0.028 0.000 0.784 1089 P CB 0.747 32.444 31.700 -0.004 0.000 0.913 1090 N N 2.035 120.795 118.700 0.101 0.000 2.495 1090 N HA 0.072 4.812 4.740 -0.000 0.000 0.294 1090 N C 1.194 176.742 175.510 0.064 0.000 1.276 1090 N CA -0.751 52.379 53.050 0.134 0.000 0.973 1090 N CB 0.513 39.085 38.487 0.142 0.000 1.143 1090 N HN 0.349 nan 8.380 nan 0.000 0.589 1091 E N 0.590 120.825 120.200 0.058 0.000 2.171 1091 E HA -0.281 4.069 4.350 -0.000 0.000 0.197 1091 E C 0.457 177.069 176.600 0.020 0.000 0.997 1091 E CA 1.737 58.156 56.400 0.033 0.000 0.810 1091 E CB -0.903 28.815 29.700 0.030 0.000 0.738 1091 E HN 0.655 nan 8.360 nan 0.000 0.467 1092 N N 0.993 119.704 118.700 0.017 0.000 2.383 1092 N HA -0.017 4.722 4.740 -0.000 0.000 0.192 1092 N C -0.209 175.305 175.510 0.008 0.000 1.141 1092 N CA 0.450 53.505 53.050 0.008 0.000 0.851 1092 N CB -0.002 38.486 38.487 0.001 0.000 0.976 1092 N HN 0.177 nan 8.380 nan 0.000 0.465 1093 N N 0.682 119.390 118.700 0.014 0.000 2.754 1093 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 1093 N C -1.263 174.254 175.510 0.011 0.000 1.093 1093 N CA 0.572 53.628 53.050 0.011 0.000 0.699 1093 N CB -0.395 38.095 38.487 0.005 0.000 1.016 1093 N HN 0.113 nan 8.380 nan 0.000 0.552 1094 R N -0.406 120.104 120.500 0.016 0.000 2.873 1094 R HA 0.561 4.901 4.340 -0.000 0.000 0.264 1094 R C -2.503 173.816 176.300 0.031 0.000 1.026 1094 R CA -2.052 54.056 56.100 0.014 0.000 1.002 1094 R CB 0.307 30.608 30.300 0.001 0.000 1.174 1094 R HN 0.008 nan 8.270 nan 0.000 0.488 1095 P HA -0.050 nan 4.420 nan 0.000 0.261 1095 P C 0.537 177.873 177.300 0.060 0.000 1.183 1095 P CA 0.290 63.423 63.100 0.055 0.000 0.761 1095 P CB 0.036 31.764 31.700 0.047 0.000 0.785 1096 F N 4.573 124.498 119.950 -0.040 0.000 2.192 1096 F HA -0.105 4.422 4.527 -0.000 0.000 0.301 1096 F C 0.629 176.401 175.800 -0.047 0.000 1.079 1096 F CA 1.552 59.523 58.000 -0.048 0.000 1.303 1096 F CB 0.091 39.049 39.000 -0.070 0.000 1.024 1096 F HN 0.330 nan 8.300 nan 0.000 0.494 1097 A N -0.411 122.352 122.820 -0.095 0.000 2.449 1097 A HA 0.776 5.096 4.320 -0.000 0.000 0.302 1097 A C -0.761 176.780 177.584 -0.071 0.000 1.048 1097 A CA -0.365 51.561 52.037 -0.185 0.000 0.708 1097 A CB 0.645 19.586 19.000 -0.098 0.000 1.274 1097 A HN 0.476 nan 8.150 nan 0.000 0.410 1098 A N 0.700 123.473 122.820 -0.078 0.000 2.322 1098 A HA 0.628 4.947 4.320 -0.000 0.000 0.269 1098 A C 1.440 179.019 177.584 -0.009 0.000 1.094 1098 A CA 0.238 52.258 52.037 -0.028 0.000 0.807 1098 A CB 0.166 19.148 19.000 -0.031 0.000 1.047 1098 A HN 2.234 nan 8.150 nan 0.000 0.487 1099 A N 1.643 124.472 122.820 0.015 0.000 1.917 1099 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 1099 A C 1.923 179.529 177.584 0.035 0.000 1.182 1099 A CA 2.182 54.237 52.037 0.029 0.000 0.633 1099 A CB -0.671 18.354 19.000 0.042 0.000 0.819 1099 A HN 0.956 nan 8.150 nan 0.000 0.448 1100 K N -0.152 120.265 120.400 0.028 0.000 2.519 1100 K HA -0.108 4.212 4.320 -0.000 0.000 0.196 1100 K C 1.026 177.650 176.600 0.040 0.000 1.041 1100 K CA 1.565 57.874 56.287 0.035 0.000 0.954 1100 K CB -0.208 32.303 32.500 0.019 0.000 0.774 1100 K HN 0.629 nan 8.250 nan 0.000 0.480 1101 E N 0.609 120.825 120.200 0.026 0.000 2.385 1101 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 1101 E C 1.657 178.306 176.600 0.082 0.000 1.013 1101 E CA -0.067 56.356 56.400 0.038 0.000 0.866 1101 E CB 0.154 29.846 29.700 -0.014 0.000 0.832 1101 E HN 0.253 nan 8.360 nan 0.000 0.500 1102 I N 0.799 121.406 120.570 0.061 0.000 2.163 1102 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 1102 I C 2.378 178.602 176.117 0.179 0.000 1.081 1102 I CA 1.046 62.371 61.300 0.043 0.000 1.353 1102 I CB -1.148 36.864 38.000 0.021 0.000 1.054 1102 I HN -0.000 nan 8.210 nan 0.000 0.407 1103 V N 2.029 122.112 119.914 0.283 0.000 2.287 1103 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 1103 V C -0.116 176.266 176.094 0.479 0.000 1.053 1103 V CA 2.238 64.815 62.300 0.462 0.000 1.027 1103 V CB -2.008 30.019 31.823 0.339 0.000 0.646 1103 V HN 0.261 nan 8.190 nan 0.000 0.447 1104 P HA -0.200 nan 4.420 nan 0.000 0.218 1104 P C 1.714 179.210 177.300 0.328 0.000 1.148 1104 P CA 1.484 64.735 63.100 0.252 0.000 0.822 1104 P CB -0.157 31.628 31.700 0.140 0.000 0.784 1105 F N -1.148 118.896 119.950 0.156 0.000 2.171 1105 F HA -0.222 4.304 4.527 -0.000 0.000 0.300 1105 F C 2.068 178.009 175.800 0.235 0.000 1.090 1105 F CA 1.466 59.558 58.000 0.154 0.000 1.293 1105 F CB -0.847 38.087 39.000 -0.110 0.000 1.013 1105 F HN -0.105 nan 8.300 nan 0.000 0.486 1106 Y N -1.100 119.388 120.300 0.312 0.000 2.163 1106 Y HA -0.222 4.328 4.550 -0.000 0.000 0.288 1106 Y C 2.297 178.215 175.900 0.030 0.000 1.136 1106 Y CA 1.370 59.554 58.100 0.141 0.000 1.147 1106 Y CB -0.687 37.898 38.460 0.208 0.000 0.987 1106 Y HN 0.007 nan 8.280 nan 0.000 0.509 1107 F N 0.274 120.347 119.950 0.204 0.000 2.202 1107 F HA -0.237 4.290 4.527 -0.000 0.000 0.301 1107 F C 2.409 178.209 175.800 0.001 0.000 1.082 1107 F CA 1.973 60.028 58.000 0.093 0.000 1.313 1107 F CB -0.327 38.720 39.000 0.079 0.000 1.024 1107 F HN 0.147 nan 8.300 nan 0.000 0.495 1108 E N -1.177 119.092 120.200 0.115 0.000 2.102 1108 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 1108 E C 1.835 178.221 176.600 -0.356 0.000 0.971 1108 E CA 1.152 57.470 56.400 -0.136 0.000 0.821 1108 E CB -0.200 29.373 29.700 -0.211 0.000 0.777 1108 E HN 0.461 nan 8.360 nan 0.000 0.460 1109 H N -1.067 117.865 119.070 -0.230 0.000 2.654 1109 H HA 0.223 4.779 4.556 -0.000 0.000 0.264 1109 H C 1.869 177.105 175.328 -0.153 0.000 0.954 1109 H CA 0.453 56.370 56.048 -0.220 0.000 1.199 1109 H CB 0.559 30.019 29.762 -0.503 0.000 1.446 1109 H HN 0.329 nan 8.280 nan 0.000 0.516 1110 G N 3.036 111.838 108.800 0.004 0.000 2.514 1110 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 1110 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 1110 G C -0.672 174.285 174.900 0.095 0.000 1.198 1110 G CA 0.597 45.776 45.100 0.132 0.000 0.780 1110 G HN 0.326 nan 8.290 nan 0.000 0.565 1111 P HA -0.085 nan 4.420 nan 0.000 0.217 1111 P C 1.736 178.980 177.300 -0.093 0.000 1.148 1111 P CA 1.338 64.424 63.100 -0.023 0.000 0.828 1111 P CB -0.042 31.624 31.700 -0.057 0.000 0.783 1112 Q N -1.558 118.110 119.800 -0.219 0.000 2.331 1112 Q HA 0.065 4.404 4.340 -0.000 0.000 0.203 1112 Q C 2.042 177.867 176.000 -0.293 0.000 0.944 1112 Q CA 0.629 56.148 55.803 -0.473 0.000 0.892 1112 Q CB -0.261 27.792 28.738 -1.142 0.000 0.983 1112 Q HN 0.289 nan 8.270 nan 0.000 0.482 1113 I N -0.478 120.030 120.570 -0.103 0.000 2.277 1113 I HA -0.145 4.025 4.170 -0.000 0.000 0.243 1113 I C 0.420 176.294 176.117 -0.405 0.000 1.094 1113 I CA 0.895 62.123 61.300 -0.120 0.000 1.393 1113 I CB 0.272 38.073 38.000 -0.331 0.000 1.078 1113 I HN 0.058 nan 8.210 nan 0.000 0.417 1114 F N 1.403 121.212 119.950 -0.234 0.000 2.640 1114 F HA 0.230 4.757 4.527 -0.000 0.000 0.331 1114 F C 0.342 175.933 175.800 -0.349 0.000 1.200 1114 F CA -0.487 57.050 58.000 -0.771 0.000 1.278 1114 F CB -0.384 38.305 39.000 -0.519 0.000 1.571 1114 F HN -0.026 nan 8.300 nan 0.000 0.576 1115 N N 2.787 121.506 118.700 0.032 0.000 2.511 1115 N HA 0.308 5.048 4.740 -0.000 0.000 0.249 1115 N C -2.877 172.903 175.510 0.451 0.000 0.971 1115 N CA -2.604 50.574 53.050 0.213 0.000 0.938 1115 N CB 1.082 39.606 38.487 0.061 0.000 1.131 1115 N HN -0.088 nan 8.380 nan 0.000 0.505 1116 P HA -0.035 nan 4.420 nan 0.000 0.258 1116 P C 0.652 178.000 177.300 0.079 0.000 1.172 1116 P CA 0.249 63.432 63.100 0.139 0.000 0.762 1116 P CB 0.492 32.212 31.700 0.034 0.000 0.764 1117 S N 3.224 118.942 115.700 0.032 0.000 2.453 1117 S HA 0.011 4.481 4.470 -0.000 0.000 0.231 1117 S C 1.757 176.356 174.600 -0.003 0.000 1.005 1117 S CA 0.804 59.026 58.200 0.037 0.000 0.949 1117 S CB -1.248 61.978 63.200 0.042 0.000 0.774 1117 S HN 0.700 nan 8.310 nan 0.000 0.510 1118 G N 0.745 109.519 108.800 -0.044 0.000 2.180 1118 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.263 1118 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.263 1118 G C -0.057 174.819 174.900 -0.040 0.000 0.989 1118 G CA 0.604 45.677 45.100 -0.046 0.000 0.692 1118 G HN 0.707 nan 8.290 nan 0.000 0.526 1119 Q N -0.955 118.823 119.800 -0.037 0.000 2.432 1119 Q HA 0.392 4.732 4.340 -0.000 0.000 0.264 1119 Q C 1.680 177.657 176.000 -0.039 0.000 1.035 1119 Q CA -0.113 55.675 55.803 -0.025 0.000 0.908 1119 Q CB 0.495 29.226 28.738 -0.012 0.000 1.280 1119 Q HN 0.387 nan 8.270 nan 0.000 0.455 1120 I N 1.879 122.432 120.570 -0.028 0.000 2.500 1120 I HA -0.131 4.038 4.170 -0.000 0.000 0.252 1120 I C 0.242 176.337 176.117 -0.036 0.000 1.142 1120 I CA 0.521 61.801 61.300 -0.033 0.000 1.451 1120 I CB 0.428 38.414 38.000 -0.023 0.000 1.093 1120 I HN 0.400 nan 8.210 nan 0.000 0.430 1121 L N -0.377 120.831 121.223 -0.025 0.000 2.323 1121 L HA 0.734 5.074 4.340 -0.000 0.000 0.265 1121 L C 0.093 176.954 176.870 -0.016 0.000 1.012 1121 L CA 0.354 55.182 54.840 -0.020 0.000 0.820 1121 L CB 1.342 43.396 42.059 -0.007 0.000 1.334 1121 L HN 0.313 nan 8.230 nan 0.000 0.427 1122 G N 2.246 111.039 108.800 -0.012 0.000 2.627 1122 G HA2 -0.067 3.892 3.960 -0.000 0.000 0.214 1122 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.214 1122 G C -2.753 172.129 174.900 -0.031 0.000 1.331 1122 G CA -0.442 44.660 45.100 0.003 0.000 0.891 1122 G HN 0.684 nan 8.290 nan 0.000 0.539 1123 P HA 0.270 nan 4.420 nan 0.000 0.273 1123 P C 0.716 177.896 177.300 -0.199 0.000 1.250 1123 P CA -0.135 62.919 63.100 -0.076 0.000 0.793 1123 P CB 0.824 32.545 31.700 0.035 0.000 1.011 1124 K N -0.395 119.767 120.400 -0.396 0.000 2.147 1124 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 1124 K C -0.035 176.035 176.600 -0.884 0.000 1.049 1124 K CA 1.276 57.133 56.287 -0.716 0.000 0.936 1124 K CB -0.158 31.718 32.500 -1.041 0.000 0.722 1124 K HN 0.453 nan 8.250 nan 0.000 0.446 1125 Y N -0.300 119.922 120.300 -0.130 0.000 2.477 1125 Y HA 0.115 4.665 4.550 -0.000 0.000 0.347 1125 Y C 0.251 176.209 175.900 0.096 0.000 0.981 1125 Y CA -1.246 56.827 58.100 -0.045 0.000 1.033 1125 Y CB 1.642 40.002 38.460 -0.167 0.000 1.245 1125 Y HN 0.051 nan 8.280 nan 0.000 0.455 1126 D N -0.313 120.267 120.400 0.300 0.000 2.347 1126 D HA 0.093 4.733 4.640 -0.000 0.000 0.213 1126 D C 1.739 178.273 176.300 0.390 0.000 0.985 1126 D CA 0.832 54.997 54.000 0.275 0.000 0.879 1126 D CB 0.024 40.934 40.800 0.184 0.000 0.919 1126 D HN 0.891 nan 8.370 nan 0.000 0.526 1127 G N 0.574 109.705 108.800 0.553 0.000 2.196 1127 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.268 1127 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.268 1127 G C 1.123 176.206 174.900 0.305 0.000 0.975 1127 G CA 0.766 46.221 45.100 0.591 0.000 0.648 1127 G HN 0.452 nan 8.290 nan 0.000 0.538 1128 K N -1.226 119.305 120.400 0.217 0.000 2.057 1128 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 1128 K C 2.023 178.673 176.600 0.082 0.000 1.049 1128 K CA 1.588 57.937 56.287 0.102 0.000 0.931 1128 K CB -0.171 32.392 32.500 0.106 0.000 0.714 1128 K HN 0.490 nan 8.250 nan 0.000 0.440 1129 Y N 1.972 122.301 120.300 0.049 0.000 2.200 1129 Y HA -0.108 4.442 4.550 -0.000 0.000 0.290 1129 Y C 1.138 177.033 175.900 -0.007 0.000 1.137 1129 Y CA 0.344 58.455 58.100 0.018 0.000 1.163 1129 Y CB -0.186 38.288 38.460 0.023 0.000 0.988 1129 Y HN -0.047 nan 8.280 nan 0.000 0.518 1133 V N 2.525 122.157 119.914 -0.471 0.000 2.407 1133 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 1133 V C 2.322 178.277 176.094 -0.233 0.000 1.055 1133 V CA 1.770 63.863 62.300 -0.345 0.000 1.049 1133 V CB -0.612 30.987 31.823 -0.373 0.000 0.662 1133 V HN 0.332 nan 8.190 nan 0.000 0.455 1134 L N -0.542 120.544 121.223 -0.228 0.000 2.083 1134 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 1134 L C 2.722 179.462 176.870 -0.217 0.000 1.083 1134 L CA 1.629 56.353 54.840 -0.194 0.000 0.752 1134 L CB -0.499 41.477 42.059 -0.139 0.000 0.899 1134 L HN 0.377 nan 8.230 nan 0.000 0.433 1135 Q N -0.321 119.280 119.800 -0.333 0.000 2.083 1135 Q HA -0.203 4.137 4.340 -0.000 0.000 0.198 1135 Q C 2.098 177.951 176.000 -0.244 0.000 0.969 1135 Q CA 1.276 56.824 55.803 -0.424 0.000 0.838 1135 Q CB 0.030 28.389 28.738 -0.633 0.000 0.900 1135 Q HN 0.480 nan 8.270 nan 0.000 0.436 1136 E N 0.540 120.612 120.200 -0.212 0.000 2.110 1136 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 1136 E C 1.717 178.241 176.600 -0.126 0.000 0.988 1136 E CA 1.067 57.387 56.400 -0.134 0.000 0.804 1136 E CB 0.145 29.787 29.700 -0.096 0.000 0.745 1136 E HN 0.102 nan 8.360 nan 0.000 0.458 1137 K N -0.303 119.981 120.400 -0.194 0.000 2.284 1137 K HA 0.092 4.412 4.320 -0.000 0.000 0.198 1137 K C 1.609 177.813 176.600 -0.660 0.000 1.048 1137 K CA 0.334 56.415 56.287 -0.343 0.000 0.987 1137 K CB 0.435 32.759 32.500 -0.293 0.000 0.800 1137 K HN 0.030 nan 8.250 nan 0.000 0.486 1138 L N -0.860 120.113 121.223 -0.416 0.000 2.590 1138 L HA 0.267 4.607 4.340 -0.000 0.000 0.227 1138 L C 1.287 178.043 176.870 -0.190 0.000 1.099 1138 L CA 0.083 54.700 54.840 -0.372 0.000 0.872 1138 L CB -0.169 41.741 42.059 -0.247 0.000 1.088 1138 L HN 0.296 nan 8.230 nan 0.000 0.479 1139 G N 1.332 110.065 108.800 -0.111 0.000 2.622 1139 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.307 1139 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.307 1139 G C 0.611 175.559 174.900 0.081 0.000 1.226 1139 G CA 0.527 45.608 45.100 -0.030 0.000 0.997 1139 G HN 0.345 nan 8.290 nan 0.000 0.551 1140 E N 1.272 121.479 120.200 0.011 0.000 2.548 1140 E HA 0.209 4.559 4.350 -0.000 0.000 0.206 1140 E C 0.902 177.432 176.600 -0.116 0.000 1.005 1140 E CA 0.391 56.783 56.400 -0.013 0.000 0.951 1140 E CB 0.220 29.924 29.700 0.007 0.000 1.035 1140 E HN 0.474 nan 8.360 nan 0.000 0.470 1141 T N 2.049 116.519 114.554 -0.140 0.000 2.908 1141 T HA 0.031 4.381 4.350 -0.000 0.000 0.325 1141 T C 0.619 175.173 174.700 -0.244 0.000 1.092 1141 T CA 0.550 62.539 62.100 -0.185 0.000 1.125 1141 T CB 0.827 69.579 68.868 -0.192 0.000 1.016 1141 T HN -0.020 nan 8.240 nan 0.000 0.550 1142 R N 1.108 121.446 120.500 -0.270 0.000 2.803 1142 R HA 0.382 4.722 4.340 -0.000 0.000 0.276 1142 R C 1.265 177.396 176.300 -0.281 0.000 0.978 1142 R CA -0.772 55.173 56.100 -0.258 0.000 0.939 1142 R CB 1.498 31.716 30.300 -0.137 0.000 1.179 1142 R HN 0.429 nan 8.270 nan 0.000 0.472 1143 V N 3.473 123.279 119.914 -0.181 0.000 2.453 1143 V HA -0.273 3.847 4.120 -0.000 0.000 0.252 1143 V C 2.213 178.266 176.094 -0.069 0.000 1.068 1143 V CA 2.471 64.704 62.300 -0.112 0.000 1.070 1143 V CB -0.778 31.025 31.823 -0.034 0.000 0.664 1143 V HN 0.840 nan 8.190 nan 0.000 0.461 1144 H N -0.483 118.573 119.070 -0.023 0.000 2.518 1144 H HA -0.141 4.415 4.556 -0.000 0.000 0.289 1144 H C 1.727 177.051 175.328 -0.007 0.000 1.051 1144 H CA 1.519 57.564 56.048 -0.005 0.000 1.280 1144 H CB -0.171 29.588 29.762 -0.005 0.000 1.380 1144 H HN 0.596 nan 8.280 nan 0.000 0.566 1145 Q N 0.799 120.288 119.800 -0.519 0.000 2.425 1145 Q HA 0.297 4.637 4.340 -0.000 0.000 0.204 1145 Q C 0.899 176.816 176.000 -0.137 0.000 0.933 1145 Q CA 0.111 55.711 55.803 -0.338 0.000 0.939 1145 Q CB 0.541 29.036 28.738 -0.405 0.000 1.044 1145 Q HN 0.470 nan 8.270 nan 0.000 0.513 1146 A N 0.760 123.521 122.820 -0.098 0.000 2.555 1146 A HA -0.039 4.281 4.320 -0.000 0.000 0.233 1146 A C 0.833 178.414 177.584 -0.004 0.000 1.060 1146 A CA 0.182 52.194 52.037 -0.042 0.000 0.759 1146 A CB 0.213 19.202 19.000 -0.017 0.000 0.995 1146 A HN 0.421 nan 8.150 nan 0.000 0.506 1147 L N 1.069 122.298 121.223 0.010 0.000 2.478 1147 L HA 0.051 4.391 4.340 -0.000 0.000 0.223 1147 L C 1.011 177.909 176.870 0.046 0.000 1.140 1147 L CA 1.141 55.995 54.840 0.024 0.000 0.842 1147 L CB -0.699 41.376 42.059 0.026 0.000 0.953 1147 L HN 0.966 nan 8.230 nan 0.000 0.452 1148 T N -5.004 109.588 114.554 0.063 0.000 2.778 1148 T HA 0.329 4.679 4.350 -0.000 0.000 0.293 1148 T C -0.752 174.014 174.700 0.110 0.000 1.144 1148 T CA -0.878 61.282 62.100 0.099 0.000 1.010 1148 T CB 2.055 71.003 68.868 0.132 0.000 1.325 1148 T HN -0.242 nan 8.240 nan 0.000 0.515 1149 E N 1.215 121.510 120.200 0.159 0.000 2.324 1149 E HA 0.439 4.789 4.350 -0.000 0.000 0.271 1149 E C -0.278 176.385 176.600 0.104 0.000 1.028 1149 E CA -0.510 55.978 56.400 0.147 0.000 0.890 1149 E CB 0.208 30.035 29.700 0.213 0.000 1.004 1149 E HN 0.760 nan 8.360 nan 0.000 0.431 1150 V N 1.984 121.941 119.914 0.071 0.000 2.769 1150 V HA 0.774 4.894 4.120 -0.000 0.000 0.312 1150 V C -0.532 175.593 176.094 0.053 0.000 1.058 1150 V CA -0.966 61.366 62.300 0.053 0.000 0.952 1150 V CB 2.053 33.895 31.823 0.031 0.000 1.019 1150 V HN 0.341 nan 8.190 nan 0.000 0.445 1151 V N 4.995 124.938 119.914 0.048 0.000 2.419 1151 V HA 0.540 4.660 4.120 -0.000 0.000 0.287 1151 V C -0.446 175.689 176.094 0.068 0.000 1.017 1151 V CA -0.134 62.199 62.300 0.055 0.000 0.844 1151 V CB 1.153 32.997 31.823 0.035 0.000 1.011 1151 V HN 0.830 nan 8.190 nan 0.000 0.429 1152 I N 4.159 124.795 120.570 0.111 0.000 2.418 1152 I HA 0.514 4.684 4.170 -0.000 0.000 0.287 1152 I C 0.390 176.622 176.117 0.192 0.000 1.008 1152 I CA -0.336 61.042 61.300 0.129 0.000 1.104 1152 I CB 2.356 40.423 38.000 0.111 0.000 1.264 1152 I HN 0.672 nan 8.210 nan 0.000 0.438 1153 S N 4.387 120.177 115.700 0.151 0.000 2.654 1153 S HA 0.864 5.334 4.470 -0.000 0.000 0.283 1153 S C -0.176 174.547 174.600 0.205 0.000 1.180 1153 S CA -0.425 57.870 58.200 0.159 0.000 1.021 1153 S CB 1.882 65.156 63.200 0.123 0.000 1.018 1153 S HN 0.782 nan 8.310 nan 0.000 0.532 1154 S N 0.787 116.619 115.700 0.219 0.000 2.636 1154 S HA 0.707 5.177 4.470 -0.000 0.000 0.266 1154 S C -1.657 173.121 174.600 0.298 0.000 1.147 1154 S CA -0.985 57.377 58.200 0.271 0.000 0.815 1154 S CB 0.801 64.209 63.200 0.346 0.000 1.119 1154 S HN 1.081 nan 8.310 nan 0.000 0.470 1155 F N 1.714 121.760 119.950 0.160 0.000 2.539 1155 F HA 0.525 5.052 4.527 -0.000 0.000 0.318 1155 F C -0.957 174.935 175.800 0.153 0.000 1.135 1155 F CA -0.573 57.506 58.000 0.131 0.000 0.915 1155 F CB 1.739 40.805 39.000 0.111 0.000 1.176 1155 F HN 0.785 nan 8.300 nan 0.000 0.440 1156 D N 7.058 127.126 120.400 -0.553 0.000 2.347 1156 D HA 0.157 4.797 4.640 -0.000 0.000 0.235 1156 D C 1.392 177.390 176.300 -0.504 0.000 1.149 1156 D CA -0.120 53.679 54.000 -0.334 0.000 0.850 1156 D CB 0.858 41.509 40.800 -0.248 0.000 1.061 1156 D HN 0.752 nan 8.370 nan 0.000 0.487 1157 I N 1.174 121.695 120.570 -0.082 0.000 3.001 1157 I HA -0.070 4.100 4.170 -0.000 0.000 0.268 1157 I C 1.743 177.871 176.117 0.019 0.000 1.267 1157 I CA 0.492 61.847 61.300 0.092 0.000 1.472 1157 I CB 0.027 38.163 38.000 0.226 0.000 1.089 1157 I HN 0.045 nan 8.210 nan 0.000 0.468 1158 K N 2.058 122.428 120.400 -0.049 0.000 2.141 1158 K HA -0.014 4.306 4.320 -0.000 0.000 0.202 1158 K C 2.077 178.619 176.600 -0.097 0.000 1.045 1158 K CA 2.013 58.270 56.287 -0.051 0.000 0.971 1158 K CB -0.520 31.949 32.500 -0.053 0.000 0.795 1158 K HN 0.456 nan 8.250 nan 0.000 0.459 1159 T N -1.954 112.501 114.554 -0.165 0.000 3.088 1159 T HA 0.042 4.392 4.350 -0.000 0.000 0.259 1159 T C 0.504 175.107 174.700 -0.160 0.000 1.122 1159 T CA 0.656 62.656 62.100 -0.166 0.000 1.095 1159 T CB -0.389 68.360 68.868 -0.200 0.000 0.930 1159 T HN 0.367 nan 8.240 nan 0.000 0.508 1160 N N 0.753 119.314 118.700 -0.232 0.000 2.776 1160 N HA -0.149 4.591 4.740 -0.000 0.000 0.249 1160 N C -1.045 174.342 175.510 -0.206 0.000 1.111 1160 N CA 0.793 53.756 53.050 -0.145 0.000 0.711 1160 N CB -1.217 37.304 38.487 0.057 0.000 1.065 1160 N HN 0.709 nan 8.380 nan 0.000 0.556 1161 K N -0.772 119.309 120.400 -0.531 0.000 2.508 1161 K HA 0.523 4.843 4.320 -0.000 0.000 0.260 1161 K C -2.830 173.563 176.600 -0.345 0.000 0.949 1161 K CA -1.889 54.244 56.287 -0.257 0.000 0.834 1161 K CB 2.143 34.571 32.500 -0.121 0.000 1.365 1161 K HN -0.131 nan 8.250 nan 0.000 0.437 1162 P HA 0.131 nan 4.420 nan 0.000 0.272 1162 P C -0.938 176.355 177.300 -0.010 0.000 1.223 1162 P CA -0.476 62.696 63.100 0.119 0.000 0.784 1162 P CB 0.620 32.436 31.700 0.194 0.000 0.923 1163 V N 4.478 124.384 119.914 -0.014 0.000 2.409 1163 V HA 0.274 4.394 4.120 -0.000 0.000 0.290 1163 V C -0.252 175.712 176.094 -0.216 0.000 1.017 1163 V CA -0.499 61.719 62.300 -0.136 0.000 0.841 1163 V CB 1.372 33.136 31.823 -0.099 0.000 1.003 1163 V HN 0.356 nan 8.190 nan 0.000 0.426 1164 I N 5.186 125.619 120.570 -0.229 0.000 2.312 1164 I HA 0.421 4.591 4.170 -0.000 0.000 0.290 1164 I C -0.236 175.728 176.117 -0.254 0.000 1.008 1164 I CA -0.538 60.673 61.300 -0.149 0.000 1.226 1164 I CB 0.830 38.802 38.000 -0.048 0.000 1.371 1164 I HN 0.369 nan 8.210 nan 0.000 0.468 1165 F N 4.343 124.318 119.950 0.041 0.000 2.424 1165 F HA 0.368 4.895 4.527 -0.000 0.000 0.356 1165 F C 1.056 176.861 175.800 0.008 0.000 1.110 1165 F CA 0.200 58.211 58.000 0.019 0.000 1.161 1165 F CB 1.277 40.270 39.000 -0.012 0.000 1.115 1165 F HN 0.348 nan 8.300 nan 0.000 0.507 1166 T N 2.550 117.197 114.554 0.154 0.000 2.916 1166 T HA 0.190 4.540 4.350 -0.000 0.000 0.292 1166 T C 0.842 175.599 174.700 0.094 0.000 1.055 1166 T CA -0.792 61.363 62.100 0.090 0.000 1.009 1166 T CB 1.933 70.821 68.868 0.033 0.000 1.118 1166 T HN 0.727 nan 8.240 nan 0.000 0.497 1167 K N 1.140 121.585 120.400 0.075 0.000 2.155 1167 K HA 0.085 4.404 4.320 -0.000 0.000 0.203 1167 K C 0.863 177.513 176.600 0.083 0.000 1.052 1167 K CA 0.941 57.276 56.287 0.080 0.000 0.948 1167 K CB 0.089 32.634 32.500 0.075 0.000 0.728 1167 K HN 0.414 nan 8.250 nan 0.000 0.448 1168 S N 0.590 116.327 115.700 0.063 0.000 2.666 1168 S HA 0.025 4.495 4.470 -0.000 0.000 0.279 1168 S C 0.241 174.859 174.600 0.031 0.000 1.149 1168 S CA -0.160 58.070 58.200 0.050 0.000 1.020 1168 S CB 0.984 64.208 63.200 0.040 0.000 1.127 1168 S HN 0.652 nan 8.310 nan 0.000 0.537 1169 N N -0.250 118.461 118.700 0.017 0.000 2.922 1169 N HA -0.238 4.502 4.740 -0.000 0.000 0.231 1169 N C 0.608 176.117 175.510 -0.001 0.000 0.889 1169 N CA 1.720 54.771 53.050 0.002 0.000 1.027 1169 N CB -1.804 36.678 38.487 -0.009 0.000 1.059 1169 N HN 0.529 nan 8.380 nan 0.000 0.613 1170 L N 0.370 121.600 121.223 0.011 0.000 2.353 1170 L HA 0.032 4.371 4.340 -0.000 0.000 0.220 1170 L C 2.990 179.846 176.870 -0.022 0.000 1.133 1170 L CA 1.250 56.091 54.840 0.002 0.000 0.798 1170 L CB -0.568 41.508 42.059 0.028 0.000 0.922 1170 L HN 0.422 nan 8.230 nan 0.000 0.445 1171 A N 2.343 125.151 122.820 -0.020 0.000 1.896 1171 A HA -0.333 3.987 4.320 -0.000 0.000 0.220 1171 A C 2.048 179.611 177.584 -0.034 0.000 1.206 1171 A CA 2.787 54.806 52.037 -0.030 0.000 0.647 1171 A CB -0.916 18.073 19.000 -0.019 0.000 0.828 1171 A HN 0.715 nan 8.150 nan 0.000 0.455 1172 N N -0.400 118.282 118.700 -0.030 0.000 2.290 1172 N HA -0.020 4.720 4.740 -0.000 0.000 0.179 1172 N C 0.538 176.019 175.510 -0.048 0.000 1.016 1172 N CA 1.170 54.199 53.050 -0.035 0.000 0.871 1172 N CB -0.364 38.105 38.487 -0.030 0.000 0.987 1172 N HN 0.343 nan 8.380 nan 0.000 0.431 1173 S N 0.011 115.678 115.700 -0.054 0.000 2.665 1173 S HA 0.365 4.835 4.470 -0.000 0.000 0.230 1173 S C -2.077 172.476 174.600 -0.079 0.000 1.326 1173 S CA -1.388 56.761 58.200 -0.085 0.000 1.055 1173 S CB 1.201 64.341 63.200 -0.100 0.000 1.178 1173 S HN 0.167 nan 8.310 nan 0.000 0.489 1174 P HA -0.074 nan 4.420 nan 0.000 0.231 1174 P C 0.452 177.728 177.300 -0.040 0.000 1.158 1174 P CA 0.848 63.920 63.100 -0.046 0.000 0.763 1174 P CB 0.082 31.756 31.700 -0.044 0.000 0.805 1175 E N 0.058 120.177 120.200 -0.134 0.000 2.274 1175 E HA -0.037 4.312 4.350 -0.000 0.000 0.194 1175 E C 1.870 178.489 176.600 0.032 0.000 0.996 1175 E CA 0.712 56.991 56.400 -0.202 0.000 0.840 1175 E CB -0.852 28.342 29.700 -0.842 0.000 0.772 1175 E HN 0.313 nan 8.360 nan 0.000 0.491 1176 L N 0.585 121.837 121.223 0.049 0.000 2.567 1176 L HA 0.099 4.438 4.340 -0.000 0.000 0.225 1176 L C 0.707 177.737 176.870 0.267 0.000 1.119 1176 L CA 0.077 55.060 54.840 0.239 0.000 0.871 1176 L CB 0.059 42.181 42.059 0.105 0.000 1.036 1176 L HN 0.017 nan 8.230 nan 0.000 0.459 1177 D N 1.903 122.396 120.400 0.154 0.000 2.688 1177 D HA 0.258 4.897 4.640 -0.000 0.000 0.228 1177 D C 0.403 176.753 176.300 0.083 0.000 1.116 1177 D CA -0.025 54.052 54.000 0.130 0.000 1.023 1177 D CB 0.240 41.108 40.800 0.114 0.000 1.100 1177 D HN 0.162 nan 8.370 nan 0.000 0.487 1178 A N 2.438 125.276 122.820 0.029 0.000 2.272 1178 A HA 0.384 4.703 4.320 -0.000 0.000 0.275 1178 A C 0.833 178.227 177.584 -0.317 0.000 1.096 1178 A CA -0.515 51.441 52.037 -0.136 0.000 0.822 1178 A CB 0.689 19.507 19.000 -0.303 0.000 1.088 1178 A HN 0.381 nan 8.150 nan 0.000 0.495 1182 D N 1.831 121.931 120.400 -0.499 0.000 2.123 1182 D HA 0.027 4.666 4.640 -0.000 0.000 0.200 1182 D C 2.042 177.983 176.300 -0.599 0.000 0.976 1182 D CA 1.880 55.505 54.000 -0.626 0.000 0.831 1182 D CB 0.217 40.128 40.800 -1.481 0.000 0.974 1182 D HN 0.460 nan 8.370 nan 0.000 0.469 1183 I N 0.791 120.934 120.570 -0.712 0.000 2.179 1183 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 1183 I C 2.357 178.317 176.117 -0.261 0.000 1.088 1183 I CA 0.798 61.727 61.300 -0.618 0.000 1.357 1183 I CB -0.072 37.504 38.000 -0.707 0.000 1.051 1183 I HN -0.115 nan 8.210 nan 0.000 0.409 1184 S N -0.262 115.303 115.700 -0.225 0.000 2.368 1184 S HA -0.234 4.236 4.470 -0.000 0.000 0.225 1184 S C 1.917 176.451 174.600 -0.109 0.000 1.030 1184 S CA 1.326 59.439 58.200 -0.145 0.000 0.999 1184 S CB -0.411 62.696 63.200 -0.156 0.000 0.844 1184 S HN 0.450 nan 8.310 nan 0.000 0.459 1185 Y N 2.269 122.445 120.300 -0.206 0.000 2.163 1185 Y HA -0.147 4.403 4.550 -0.000 0.000 0.288 1185 Y C 2.580 178.409 175.900 -0.117 0.000 1.136 1185 Y CA 1.599 59.562 58.100 -0.228 0.000 1.147 1185 Y CB -0.626 37.629 38.460 -0.342 0.000 0.987 1185 Y HN 0.145 nan 8.280 nan 0.000 0.509 1186 S N -0.689 115.118 115.700 0.177 0.000 2.368 1186 S HA -0.303 4.167 4.470 -0.000 0.000 0.226 1186 S C 2.059 176.724 174.600 0.109 0.000 1.044 1186 S CA 1.999 60.343 58.200 0.241 0.000 1.062 1186 S CB -0.995 62.395 63.200 0.318 0.000 0.931 1186 S HN 0.645 nan 8.310 nan 0.000 0.440 1187 T N 0.771 115.363 114.554 0.064 0.000 2.897 1187 T HA 0.016 4.366 4.350 -0.000 0.000 0.271 1187 T C 1.258 175.962 174.700 0.007 0.000 1.084 1187 T CA 1.264 63.404 62.100 0.067 0.000 1.123 1187 T CB -0.263 68.636 68.868 0.053 0.000 0.865 1187 T HN 0.381 nan 8.240 nan 0.000 0.496 1188 A N -0.249 122.504 122.820 -0.112 0.000 2.390 1188 A HA 0.732 5.051 4.320 -0.000 0.000 0.232 1188 A C 1.319 178.780 177.584 -0.205 0.000 1.233 1188 A CA 0.349 52.291 52.037 -0.157 0.000 0.907 1188 A CB 0.027 18.874 19.000 -0.256 0.000 0.967 1188 A HN 0.468 nan 8.150 nan 0.000 0.512 1189 A N 1.106 123.806 122.820 -0.200 0.000 3.026 1189 A HA 0.576 4.895 4.320 -0.000 0.000 0.272 1189 A C 0.811 178.533 177.584 0.231 0.000 1.782 1189 A CA 0.329 52.333 52.037 -0.055 0.000 1.451 1189 A CB -1.288 17.711 19.000 -0.001 0.000 1.081 1189 A HN 0.973 nan 8.150 nan 0.000 0.611 1190 A N 3.288 126.310 122.820 0.337 0.000 2.492 1190 A HA 0.531 4.851 4.320 -0.000 0.000 0.254 1190 A C -2.333 175.495 177.584 0.406 0.000 1.091 1190 A CA -1.202 51.029 52.037 0.323 0.000 0.768 1190 A CB -0.287 18.841 19.000 0.212 0.000 1.028 1190 A HN 0.504 nan 8.150 nan 0.000 0.498 1191 P HA 0.035 nan 4.420 nan 0.000 0.264 1191 P C 0.950 178.395 177.300 0.243 0.000 1.183 1191 P CA 1.909 65.160 63.100 0.251 0.000 0.763 1191 P CB 0.420 32.232 31.700 0.186 0.000 0.807 1192 T N -0.967 113.658 114.554 0.118 0.000 7.776 1192 T HA -0.340 4.010 4.350 -0.000 0.000 0.302 1192 T C 0.795 175.359 174.700 -0.227 0.000 2.093 1192 T CA 1.558 63.617 62.100 -0.068 0.000 3.360 1192 T CB -2.733 66.037 68.868 -0.163 0.000 1.793 1192 T HN 0.341 nan 8.240 nan 0.000 1.076 1193 Y N 0.360 120.669 120.300 0.016 0.000 2.382 1193 Y HA 0.674 5.224 4.550 -0.000 0.000 0.292 1193 Y C 1.136 176.877 175.900 -0.265 0.000 1.151 1193 Y CA 0.092 58.131 58.100 -0.102 0.000 1.198 1193 Y CB 0.555 39.019 38.460 0.007 0.000 1.195 1193 Y HN 0.427 nan 8.280 nan 0.000 0.530 1194 F N -0.354 119.815 119.950 0.365 0.000 2.603 1194 F HA 0.498 5.025 4.527 -0.000 0.000 0.317 1194 F C -2.560 173.400 175.800 0.266 0.000 1.066 1194 F CA -2.989 55.184 58.000 0.289 0.000 0.941 1194 F CB 1.279 40.378 39.000 0.165 0.000 1.291 1194 F HN -0.323 nan 8.300 nan 0.000 0.472 1195 P HA 0.217 nan 4.420 nan 0.000 0.276 1195 P C -2.610 174.974 177.300 0.475 0.000 1.230 1195 P CA -1.162 62.176 63.100 0.398 0.000 0.776 1195 P CB 0.064 31.966 31.700 0.336 0.000 0.888 1196 P HA 0.018 nan 4.420 nan 0.000 0.268 1196 P C -0.461 177.149 177.300 0.517 0.000 1.208 1196 P CA 0.398 63.749 63.100 0.418 0.000 0.777 1196 P CB 0.322 32.212 31.700 0.317 0.000 0.875 1197 H N 1.552 120.884 119.070 0.437 0.000 2.459 1197 H HA 0.295 4.850 4.556 -0.000 0.000 0.332 1197 H C -1.318 174.266 175.328 0.426 0.000 1.094 1197 H CA -0.774 55.511 56.048 0.395 0.000 1.224 1197 H CB 0.623 30.638 29.762 0.422 0.000 1.449 1197 H HN 0.391 nan 8.280 nan 0.000 0.484 1198 Y N 7.445 127.702 120.300 -0.071 0.000 2.328 1198 Y HA 0.339 4.889 4.550 -0.000 0.000 0.337 1198 Y C -1.739 174.040 175.900 -0.203 0.000 0.966 1198 Y CA -0.807 57.236 58.100 -0.095 0.000 1.136 1198 Y CB 0.434 38.893 38.460 -0.000 0.000 1.170 1198 Y HN 0.541 nan 8.280 nan 0.000 0.470 1199 F N 3.990 123.455 119.950 -0.808 0.000 2.645 1199 F HA 0.812 5.339 4.527 -0.000 0.000 0.310 1199 F C -2.289 173.250 175.800 -0.434 0.000 1.102 1199 F CA -1.395 56.274 58.000 -0.552 0.000 0.952 1199 F CB 0.864 39.637 39.000 -0.379 0.000 1.326 1199 F HN 0.196 nan 8.300 nan 0.000 0.456 1200 V N 1.359 121.226 119.914 -0.079 0.000 2.628 1200 V HA 0.724 4.844 4.120 -0.000 0.000 0.306 1200 V C -0.286 175.919 176.094 0.185 0.000 1.045 1200 V CA -0.251 62.019 62.300 -0.050 0.000 0.905 1200 V CB 1.886 33.688 31.823 -0.036 0.000 0.997 1200 V HN 1.075 nan 8.190 nan 0.000 0.436 1201 T N 3.064 117.749 114.554 0.218 0.000 2.773 1201 T HA 0.529 4.879 4.350 -0.000 0.000 0.278 1201 T C -1.022 173.778 174.700 0.166 0.000 1.011 1201 T CA -0.619 61.641 62.100 0.266 0.000 1.014 1201 T CB 1.629 70.786 68.868 0.482 0.000 1.293 1201 T HN 0.763 nan 8.240 nan 0.000 0.554 1202 N N 0.269 119.037 118.700 0.114 0.000 2.249 1202 N HA 0.510 5.250 4.740 -0.000 0.000 0.296 1202 N C -0.601 174.916 175.510 0.011 0.000 1.051 1202 N CA -0.657 52.432 53.050 0.064 0.000 0.815 1202 N CB 1.937 40.453 38.487 0.048 0.000 1.487 1202 N HN 0.685 nan 8.380 nan 0.000 0.475 1203 T N -1.146 113.412 114.554 0.006 0.000 2.770 1203 T HA 0.219 4.569 4.350 -0.000 0.000 0.281 1203 T C 1.198 175.884 174.700 -0.024 0.000 0.981 1203 T CA -0.553 61.527 62.100 -0.034 0.000 0.955 1203 T CB 0.856 69.720 68.868 -0.006 0.000 1.060 1203 T HN 0.246 nan 8.240 nan 0.000 0.531 1204 S N 1.429 117.109 115.700 -0.033 0.000 2.359 1204 S HA -0.169 4.300 4.470 -0.000 0.000 0.223 1204 S C 1.964 176.556 174.600 -0.013 0.000 1.039 1204 S CA 1.678 59.863 58.200 -0.025 0.000 1.042 1204 S CB -0.882 62.301 63.200 -0.028 0.000 0.915 1204 S HN 0.903 nan 8.310 nan 0.000 0.439 1205 N N 0.577 119.272 118.700 -0.009 0.000 2.571 1205 N HA 0.067 4.807 4.740 -0.000 0.000 0.189 1205 N C 1.147 176.658 175.510 0.002 0.000 1.154 1205 N CA 0.657 53.705 53.050 -0.003 0.000 0.907 1205 N CB -0.010 38.476 38.487 -0.001 0.000 0.977 1205 N HN 0.502 nan 8.380 nan 0.000 0.449 1206 G N 0.654 109.457 108.800 0.004 0.000 2.175 1206 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.244 1206 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.244 1206 G C -0.389 174.523 174.900 0.020 0.000 0.982 1206 G CA 0.037 45.144 45.100 0.012 0.000 0.641 1206 G HN 0.416 nan 8.290 nan 0.000 0.527 1207 D N 1.419 121.831 120.400 0.021 0.000 2.400 1207 D HA 0.296 4.936 4.640 -0.000 0.000 0.238 1207 D C 0.813 177.140 176.300 0.045 0.000 1.157 1207 D CA 0.250 54.266 54.000 0.027 0.000 0.889 1207 D CB 0.546 41.361 40.800 0.025 0.000 1.199 1207 D HN 0.479 nan 8.370 nan 0.000 0.436 1208 E N 0.579 120.802 120.200 0.038 0.000 2.360 1208 E HA 0.068 4.418 4.350 -0.000 0.000 0.269 1208 E C -0.751 175.878 176.600 0.048 0.000 1.022 1208 E CA -0.006 56.420 56.400 0.044 0.000 0.887 1208 E CB 0.882 30.597 29.700 0.025 0.000 0.990 1208 E HN 0.352 nan 8.360 nan 0.000 0.426 1209 Y N 2.028 122.255 120.300 -0.122 0.000 2.326 1209 Y HA 0.189 4.739 4.550 -0.000 0.000 0.331 1209 Y C -0.547 175.121 175.900 -0.386 0.000 0.962 1209 Y CA -0.590 57.361 58.100 -0.249 0.000 1.167 1209 Y CB 1.108 39.424 38.460 -0.240 0.000 1.148 1209 Y HN 0.434 nan 8.280 nan 0.000 0.463 1210 E N 5.252 125.030 120.200 -0.703 0.000 2.231 1210 E HA 0.388 4.738 4.350 -0.000 0.000 0.277 1210 E C -1.532 174.518 176.600 -0.917 0.000 0.999 1210 E CA -0.539 55.466 56.400 -0.658 0.000 0.827 1210 E CB 1.540 31.043 29.700 -0.329 0.000 1.101 1210 E HN 0.461 nan 8.360 nan 0.000 0.393 1211 F N 1.596 121.122 119.950 -0.708 0.000 2.532 1211 F HA 0.398 4.925 4.527 -0.000 0.000 0.321 1211 F C 0.320 175.904 175.800 -0.359 0.000 1.089 1211 F CA -0.829 56.813 58.000 -0.596 0.000 0.926 1211 F CB 1.565 39.921 39.000 -1.075 0.000 1.168 1211 F HN 0.269 nan 8.300 nan 0.000 0.459 1212 N N 4.779 123.518 118.700 0.065 0.000 2.675 1212 N HA 0.367 5.107 4.740 -0.000 0.000 0.254 1212 N C -1.543 174.087 175.510 0.199 0.000 1.224 1212 N CA -0.165 52.980 53.050 0.159 0.000 0.777 1212 N CB 1.515 40.078 38.487 0.125 0.000 1.256 1212 N HN 0.407 nan 8.380 nan 0.000 0.531 1213 L N 0.733 122.139 121.223 0.305 0.000 2.334 1213 L HA 0.763 5.103 4.340 -0.000 0.000 0.270 1213 L C 0.453 177.543 176.870 0.366 0.000 1.018 1213 L CA -1.190 53.854 54.840 0.340 0.000 0.811 1213 L CB 1.747 44.061 42.059 0.426 0.000 1.271 1213 L HN 0.028 nan 8.230 nan 0.000 0.443 1214 V N -3.157 116.965 119.914 0.347 0.000 3.160 1214 V HA 0.469 4.589 4.120 -0.000 0.000 0.310 1214 V C -0.481 175.780 176.094 0.278 0.000 1.181 1214 V CA -1.025 61.465 62.300 0.318 0.000 1.047 1214 V CB 1.834 33.850 31.823 0.321 0.000 1.068 1214 V HN 0.748 nan 8.190 nan 0.000 0.441 1215 D N 0.914 121.443 120.400 0.214 0.000 2.667 1215 D HA -0.021 4.618 4.640 -0.000 0.000 0.226 1215 D C 1.401 177.809 176.300 0.181 0.000 1.137 1215 D CA 1.503 55.601 54.000 0.163 0.000 0.855 1215 D CB 1.540 42.423 40.800 0.139 0.000 1.194 1215 D HN 1.025 nan 8.370 nan 0.000 0.492 1216 G N 2.607 111.499 108.800 0.153 0.000 2.509 1216 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.218 1216 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.218 1216 G C 1.441 176.412 174.900 0.119 0.000 1.124 1216 G CA 0.891 46.084 45.100 0.155 0.000 0.776 1216 G HN 0.591 nan 8.290 nan 0.000 0.547 1217 A N 0.378 123.254 122.820 0.093 0.000 1.933 1217 A HA 0.049 4.369 4.320 -0.000 0.000 0.218 1217 A C 2.497 180.102 177.584 0.035 0.000 1.175 1217 A CA 1.612 53.687 52.037 0.064 0.000 0.628 1217 A CB -0.475 18.559 19.000 0.057 0.000 0.814 1217 A HN 0.251 nan 8.150 nan 0.000 0.444 1218 V N -0.357 119.574 119.914 0.028 0.000 2.720 1218 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 1218 V C 2.632 178.597 176.094 -0.216 0.000 1.082 1218 V CA 1.620 63.857 62.300 -0.106 0.000 1.101 1218 V CB -0.974 30.788 31.823 -0.102 0.000 0.693 1218 V HN 0.589 nan 8.190 nan 0.000 0.479 1219 A N -1.268 121.556 122.820 0.007 0.000 2.251 1219 A HA 0.171 4.491 4.320 -0.000 0.000 0.209 1219 A C 1.462 179.086 177.584 0.068 0.000 1.187 1219 A CA 1.093 53.195 52.037 0.108 0.000 0.823 1219 A CB -0.367 18.792 19.000 0.264 0.000 0.846 1219 A HN 0.564 nan 8.150 nan 0.000 0.486 1220 T N -2.353 112.220 114.554 0.030 0.000 5.979 1220 T HA -0.204 4.146 4.350 -0.000 0.000 0.273 1220 T C 0.523 175.269 174.700 0.078 0.000 2.195 1220 T CA 1.043 63.172 62.100 0.049 0.000 3.693 1220 T CB -2.610 66.295 68.868 0.062 0.000 0.944 1220 T HN 1.352 nan 8.240 nan 0.000 1.117 1221 V N -0.911 119.055 119.914 0.086 0.000 2.908 1221 V HA 0.860 4.980 4.120 -0.000 0.000 0.369 1221 V C 1.872 178.014 176.094 0.080 0.000 1.259 1221 V CA 0.188 62.543 62.300 0.091 0.000 1.406 1221 V CB -0.184 31.696 31.823 0.095 0.000 1.475 1221 V HN 0.531 nan 8.190 nan 0.000 0.587 1222 A N 0.754 123.616 122.820 0.070 0.000 1.978 1222 A HA -0.146 4.173 4.320 -0.000 0.000 0.220 1222 A C 1.270 178.888 177.584 0.058 0.000 1.170 1222 A CA 1.867 53.939 52.037 0.059 0.000 0.636 1222 A CB -0.225 18.805 19.000 0.051 0.000 0.810 1222 A HN 0.705 nan 8.150 nan 0.000 0.448 1223 D N -1.209 119.233 120.400 0.070 0.000 2.461 1223 D HA 0.310 4.950 4.640 -0.000 0.000 0.240 1223 D C -2.462 173.890 176.300 0.086 0.000 1.094 1223 D CA -2.207 51.837 54.000 0.073 0.000 0.868 1223 D CB 1.502 42.352 40.800 0.083 0.000 1.062 1223 D HN 0.076 nan 8.370 nan 0.000 0.530 1224 P HA 0.174 nan 4.420 nan 0.000 0.256 1224 P C 0.899 178.245 177.300 0.077 0.000 1.384 1224 P CA -0.046 63.100 63.100 0.076 0.000 0.879 1224 P CB 0.468 32.205 31.700 0.063 0.000 1.403 1225 A N 0.982 123.856 122.820 0.091 0.000 1.883 1225 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 1225 A C 2.005 179.645 177.584 0.095 0.000 1.186 1225 A CA 1.628 53.724 52.037 0.099 0.000 0.624 1225 A CB -1.521 17.562 19.000 0.138 0.000 0.822 1225 A HN 0.269 nan 8.150 nan 0.000 0.444 1226 L N -0.723 120.568 121.223 0.114 0.000 2.141 1226 L HA -0.062 4.277 4.340 -0.000 0.000 0.209 1226 L C 2.172 179.086 176.870 0.073 0.000 1.094 1226 L CA 1.925 56.831 54.840 0.111 0.000 0.763 1226 L CB -0.598 41.562 42.059 0.168 0.000 0.908 1226 L HN 0.401 nan 8.230 nan 0.000 0.437 1227 L N -1.336 119.931 121.223 0.073 0.000 2.093 1227 L HA -0.096 4.243 4.340 -0.000 0.000 0.208 1227 L C 2.332 179.217 176.870 0.024 0.000 1.085 1227 L CA 1.938 56.807 54.840 0.048 0.000 0.755 1227 L CB -0.845 41.248 42.059 0.057 0.000 0.904 1227 L HN 0.231 nan 8.230 nan 0.000 0.435 1228 S N -0.178 115.541 115.700 0.032 0.000 2.355 1228 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 1228 S C 1.899 176.497 174.600 -0.004 0.000 1.031 1228 S CA 1.478 59.690 58.200 0.019 0.000 0.993 1228 S CB -0.412 62.812 63.200 0.040 0.000 0.859 1228 S HN 0.375 nan 8.310 nan 0.000 0.453 1229 I N 2.109 122.681 120.570 0.003 0.000 2.208 1229 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 1229 I C 2.361 178.432 176.117 -0.077 0.000 1.097 1229 I CA 1.170 62.442 61.300 -0.047 0.000 1.363 1229 I CB -0.991 36.964 38.000 -0.075 0.000 1.051 1229 I HN 0.150 nan 8.210 nan 0.000 0.413 1230 S N -0.406 115.268 115.700 -0.043 0.000 2.383 1230 S HA -0.109 4.360 4.470 -0.000 0.000 0.227 1230 S C 2.196 176.750 174.600 -0.075 0.000 1.026 1230 S CA 1.152 59.325 58.200 -0.045 0.000 0.981 1230 S CB -0.371 62.819 63.200 -0.016 0.000 0.818 1230 S HN 0.289 nan 8.310 nan 0.000 0.472 1231 V N 1.997 121.863 119.914 -0.081 0.000 2.427 1231 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 1231 V C 2.646 178.604 176.094 -0.226 0.000 1.051 1231 V CA 1.629 63.858 62.300 -0.118 0.000 1.048 1231 V CB -1.160 30.609 31.823 -0.090 0.000 0.666 1231 V HN 0.540 nan 8.190 nan 0.000 0.456 1232 A N -0.442 122.222 122.820 -0.261 0.000 1.902 1232 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 1232 A C 2.403 179.778 177.584 -0.349 0.000 1.181 1232 A CA 2.471 54.224 52.037 -0.473 0.000 0.623 1232 A CB -0.948 17.905 19.000 -0.245 0.000 0.818 1232 A HN 0.484 nan 8.150 nan 0.000 0.443 1233 T N -0.472 113.978 114.554 -0.174 0.000 2.746 1233 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 1233 T C 2.081 176.726 174.700 -0.092 0.000 1.039 1233 T CA 1.510 63.552 62.100 -0.097 0.000 1.142 1233 T CB -0.218 68.612 68.868 -0.063 0.000 0.866 1233 T HN 0.483 nan 8.240 nan 0.000 0.444 1234 R N 0.422 120.856 120.500 -0.110 0.000 2.075 1234 R HA 0.085 4.425 4.340 -0.000 0.000 0.232 1234 R C 2.472 178.712 176.300 -0.100 0.000 1.126 1234 R CA 0.922 56.971 56.100 -0.085 0.000 0.963 1234 R CB -0.517 29.736 30.300 -0.077 0.000 0.858 1234 R HN 0.364 nan 8.270 nan 0.000 0.435 1235 L N 0.294 121.401 121.223 -0.192 0.000 2.127 1235 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 1235 L C 2.433 179.274 176.870 -0.048 0.000 1.089 1235 L CA 1.020 55.747 54.840 -0.188 0.000 0.757 1235 L CB -0.552 41.214 42.059 -0.490 0.000 0.899 1235 L HN 0.248 nan 8.230 nan 0.000 0.434 1236 A N -0.918 121.881 122.820 -0.036 0.000 2.225 1236 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 1236 A C 2.031 179.650 177.584 0.057 0.000 1.164 1236 A CA 0.936 53.030 52.037 0.095 0.000 0.710 1236 A CB -0.215 18.841 19.000 0.094 0.000 0.780 1236 A HN 0.406 nan 8.150 nan 0.000 0.473 1237 Q N -0.582 119.230 119.800 0.020 0.000 2.432 1237 Q HA 0.078 4.418 4.340 -0.000 0.000 0.205 1237 Q C 0.918 176.933 176.000 0.024 0.000 0.945 1237 Q CA 0.878 56.690 55.803 0.016 0.000 0.924 1237 Q CB 0.197 28.934 28.738 -0.001 0.000 1.016 1237 Q HN 0.689 nan 8.270 nan 0.000 0.503 1238 K N -0.637 119.786 120.400 0.038 0.000 2.608 1238 K HA 0.069 4.389 4.320 -0.000 0.000 0.214 1238 K C -0.491 176.149 176.600 0.066 0.000 1.469 1238 K CA -0.011 56.300 56.287 0.041 0.000 1.012 1238 K CB 1.235 33.750 32.500 0.026 0.000 1.211 1238 K HN -0.077 nan 8.250 nan 0.000 0.627 1239 D N 2.559 123.026 120.400 0.111 0.000 2.454 1239 D HA 0.148 4.788 4.640 -0.000 0.000 0.225 1239 D C -1.751 174.636 176.300 0.145 0.000 1.081 1239 D CA -2.126 51.971 54.000 0.160 0.000 0.864 1239 D CB 1.708 42.697 40.800 0.315 0.000 1.040 1239 D HN -0.124 nan 8.370 nan 0.000 0.517 1240 P HA -0.190 nan 4.420 nan 0.000 0.218 1240 P C 1.085 178.391 177.300 0.010 0.000 1.146 1240 P CA 0.788 63.912 63.100 0.040 0.000 0.820 1240 P CB 0.301 32.011 31.700 0.017 0.000 0.778 1241 A N -0.743 122.062 122.820 -0.025 0.000 1.933 1241 A HA -0.122 4.197 4.320 -0.000 0.000 0.218 1241 A C 1.795 179.220 177.584 -0.266 0.000 1.175 1241 A CA 1.213 53.140 52.037 -0.183 0.000 0.628 1241 A CB -1.586 17.234 19.000 -0.299 0.000 0.814 1241 A HN 0.164 nan 8.150 nan 0.000 0.444 1242 F N 0.009 119.964 119.950 0.009 0.000 2.765 1242 F HA 0.368 4.894 4.527 -0.000 0.000 0.302 1242 F C 1.392 177.195 175.800 0.004 0.000 1.111 1242 F CA 0.123 58.129 58.000 0.009 0.000 1.359 1242 F CB 0.119 39.124 39.000 0.010 0.000 1.097 1242 F HN 0.163 nan 8.300 nan 0.000 0.577 1243 A N 0.543 123.438 122.820 0.124 0.000 2.475 1243 A HA 0.423 4.743 4.320 -0.000 0.000 0.293 1243 A C 1.083 178.699 177.584 0.053 0.000 1.252 1243 A CA 0.937 53.022 52.037 0.079 0.000 0.920 1243 A CB -0.271 18.758 19.000 0.049 0.000 1.125 1243 A HN 0.414 nan 8.150 nan 0.000 0.528 1244 S N 1.254 116.991 115.700 0.062 0.000 2.081 1244 S HA -0.097 4.373 4.470 -0.000 0.000 0.143 1244 S C 0.465 175.097 174.600 0.053 0.000 0.663 1244 S CA 0.566 58.794 58.200 0.046 0.000 1.716 1244 S CB -1.642 61.578 63.200 0.035 0.000 1.038 1244 S HN 1.456 nan 8.310 nan 0.000 0.444 1245 I N -0.337 120.275 120.570 0.069 0.000 3.966 1245 I HA 0.563 4.733 4.170 -0.000 0.000 0.324 1245 I C 1.518 177.661 176.117 0.043 0.000 1.517 1245 I CA -0.348 60.981 61.300 0.049 0.000 1.117 1245 I CB 0.176 38.199 38.000 0.039 0.000 1.190 1245 I HN 0.155 nan 8.210 nan 0.000 0.466 1246 R N 2.563 123.094 120.500 0.052 0.000 2.117 1246 R HA -0.119 4.221 4.340 -0.000 0.000 0.243 1246 R C 1.234 177.550 176.300 0.028 0.000 1.143 1246 R CA 2.077 58.201 56.100 0.041 0.000 0.968 1246 R CB -0.005 30.320 30.300 0.042 0.000 0.863 1246 R HN 0.613 nan 8.270 nan 0.000 0.444 1247 S N -0.137 115.581 115.700 0.030 0.000 2.449 1247 S HA 0.229 4.699 4.470 -0.000 0.000 0.237 1247 S C 0.201 174.825 174.600 0.040 0.000 1.214 1247 S CA -0.560 57.656 58.200 0.027 0.000 1.226 1247 S CB 0.697 63.910 63.200 0.022 0.000 0.904 1247 S HN 0.329 nan 8.310 nan 0.000 0.490 1248 L N 1.018 122.271 121.223 0.052 0.000 3.737 1248 L HA -0.171 4.169 4.340 -0.000 0.000 0.418 1248 L C -0.012 176.955 176.870 0.161 0.000 1.216 1248 L CA 0.365 55.272 54.840 0.111 0.000 0.915 1248 L CB -1.929 40.195 42.059 0.107 0.000 1.834 1248 L HN 0.700 nan 8.230 nan 0.000 0.943 1249 N N -0.327 118.429 118.700 0.094 0.000 2.605 1249 N HA 0.066 4.806 4.740 -0.000 0.000 0.258 1249 N C 0.941 176.516 175.510 0.109 0.000 1.156 1249 N CA -0.045 53.063 53.050 0.097 0.000 1.008 1249 N CB 0.062 38.585 38.487 0.061 0.000 1.354 1249 N HN 0.290 nan 8.380 nan 0.000 0.509 1250 Y N 1.566 121.798 120.300 -0.114 0.000 2.651 1250 Y HA -0.083 4.466 4.550 -0.000 0.000 0.296 1250 Y C 1.776 177.678 175.900 0.003 0.000 1.150 1250 Y CA 0.900 58.880 58.100 -0.200 0.000 1.348 1250 Y CB 0.132 38.262 38.460 -0.550 0.000 0.983 1250 Y HN 0.446 nan 8.280 nan 0.000 0.555 1251 K N -0.019 120.482 120.400 0.168 0.000 2.288 1251 K HA -0.054 4.266 4.320 -0.000 0.000 0.201 1251 K C 0.765 177.450 176.600 0.142 0.000 1.048 1251 K CA 0.811 57.196 56.287 0.162 0.000 0.956 1251 K CB 0.157 32.720 32.500 0.105 0.000 0.746 1251 K HN 0.166 nan 8.250 nan 0.000 0.461 1255 L N 5.199 126.709 121.223 0.478 0.000 2.381 1255 L HA 0.818 5.158 4.340 -0.000 0.000 0.274 1255 L C -1.924 175.157 176.870 0.352 0.000 0.988 1255 L CA -0.468 54.645 54.840 0.456 0.000 0.824 1255 L CB 1.775 44.043 42.059 0.348 0.000 1.263 1255 L HN 0.607 nan 8.230 nan 0.000 0.410 1256 L N 4.260 125.573 121.223 0.150 0.000 2.298 1256 L HA 0.691 5.031 4.340 -0.000 0.000 0.284 1256 L C -0.612 176.195 176.870 -0.105 0.000 1.013 1256 L CA 0.320 55.006 54.840 -0.256 0.000 0.824 1256 L CB 1.486 43.208 42.059 -0.562 0.000 1.221 1256 L HN 0.713 nan 8.230 nan 0.000 0.418 1257 S N 6.001 121.664 115.700 -0.061 0.000 2.498 1257 S HA 0.726 5.196 4.470 -0.000 0.000 0.317 1257 S C -0.879 173.669 174.600 -0.087 0.000 1.090 1257 S CA -0.635 57.563 58.200 -0.002 0.000 1.089 1257 S CB 0.436 63.746 63.200 0.184 0.000 0.997 1257 S HN 0.595 nan 8.310 nan 0.000 0.470 1258 L N 4.463 125.632 121.223 -0.090 0.000 2.313 1258 L HA 0.673 5.013 4.340 -0.000 0.000 0.283 1258 L C 0.911 177.737 176.870 -0.073 0.000 1.013 1258 L CA -0.855 53.917 54.840 -0.113 0.000 0.816 1258 L CB 1.666 43.655 42.059 -0.116 0.000 1.236 1258 L HN 0.744 nan 8.230 nan 0.000 0.419 1259 G N 0.097 108.844 108.800 -0.089 0.000 2.521 1259 G HA2 0.480 4.440 3.960 -0.000 0.000 0.323 1259 G HA3 0.480 4.440 3.960 -0.000 0.000 0.323 1259 G C 0.448 175.313 174.900 -0.058 0.000 1.211 1259 G CA -0.159 44.909 45.100 -0.055 0.000 0.979 1259 G HN 0.616 nan 8.290 nan 0.000 0.490 1260 T N -2.951 111.579 114.554 -0.040 0.000 3.174 1260 T HA 0.513 4.863 4.350 -0.000 0.000 0.269 1260 T C 0.994 175.666 174.700 -0.047 0.000 1.017 1260 T CA 0.623 62.695 62.100 -0.047 0.000 0.899 1260 T CB -0.282 68.560 68.868 -0.043 0.000 1.077 1260 T HN 2.220 nan 8.240 nan 0.000 0.552 1261 G N 1.484 110.259 108.800 -0.041 0.000 2.733 1261 G HA2 0.162 4.122 3.960 -0.000 0.000 0.686 1261 G HA3 0.162 4.122 3.960 -0.000 0.000 0.686 1261 G C -0.347 174.541 174.900 -0.019 0.000 1.373 1261 G CA -0.495 44.586 45.100 -0.033 0.000 0.838 1261 G HN 1.305 nan 8.290 nan 0.000 0.588 1262 T N -1.781 112.765 114.554 -0.013 0.000 2.906 1262 T HA 0.764 5.114 4.350 -0.000 0.000 0.295 1262 T C 0.264 174.951 174.700 -0.020 0.000 1.075 1262 T CA 0.112 62.209 62.100 -0.006 0.000 1.005 1262 T CB 1.908 70.783 68.868 0.012 0.000 1.136 1262 T HN 1.199 nan 8.240 nan 0.000 0.498 1263 T N 2.599 117.140 114.554 -0.020 0.000 2.888 1263 T HA 0.305 4.655 4.350 -0.000 0.000 0.301 1263 T C 0.735 175.389 174.700 -0.077 0.000 1.001 1263 T CA -0.198 61.878 62.100 -0.040 0.000 1.147 1263 T CB 0.669 69.518 68.868 -0.031 0.000 0.931 1263 T HN 0.863 nan 8.240 nan 0.000 0.541 1264 S N 2.048 117.692 115.700 -0.094 0.000 2.560 1264 S HA -0.009 4.460 4.470 -0.000 0.000 0.284 1264 S C 1.495 175.945 174.600 -0.250 0.000 1.327 1264 S CA -0.606 57.488 58.200 -0.176 0.000 1.055 1264 S CB 0.326 63.454 63.200 -0.120 0.000 0.868 1264 S HN 0.730 nan 8.310 nan 0.000 0.506 1265 E N 3.418 123.348 120.200 -0.449 0.000 2.472 1265 E HA -0.104 4.246 4.350 -0.000 0.000 0.200 1265 E C 0.409 176.841 176.600 -0.280 0.000 1.046 1265 E CA 0.906 57.065 56.400 -0.402 0.000 0.871 1265 E CB -0.330 29.099 29.700 -0.451 0.000 0.806 1265 E HN 0.877 nan 8.360 nan 0.000 0.533 1266 F N 0.539 120.463 119.950 -0.044 0.000 2.664 1266 F HA 0.266 4.793 4.527 -0.000 0.000 0.303 1266 F C 1.006 176.771 175.800 -0.060 0.000 1.092 1266 F CA -0.781 57.191 58.000 -0.047 0.000 1.305 1266 F CB 0.452 39.434 39.000 -0.030 0.000 1.054 1266 F HN -0.053 nan 8.300 nan 0.000 0.565 1267 D N 0.058 120.473 120.400 0.025 0.000 2.574 1267 D HA 0.207 4.847 4.640 -0.000 0.000 0.210 1267 D C 0.043 176.275 176.300 -0.113 0.000 1.277 1267 D CA -0.535 53.452 54.000 -0.021 0.000 1.121 1267 D CB 0.709 41.494 40.800 -0.025 0.000 1.192 1267 D HN -0.209 nan 8.370 nan 0.000 0.602 1268 K N 0.413 120.733 120.400 -0.132 0.000 2.199 1268 K HA 0.212 4.532 4.320 -0.000 0.000 0.226 1268 K C -0.777 175.542 176.600 -0.467 0.000 1.237 1268 K CA 0.248 56.386 56.287 -0.248 0.000 1.170 1268 K CB 0.095 32.554 32.500 -0.068 0.000 1.418 1268 K HN 0.131 nan 8.250 nan 0.000 0.255 1269 T N 0.458 114.626 114.554 -0.642 0.000 2.916 1269 T HA 0.566 4.916 4.350 -0.000 0.000 0.292 1269 T C -1.336 172.835 174.700 -0.882 0.000 1.064 1269 T CA -0.572 61.181 62.100 -0.578 0.000 1.011 1269 T CB 0.728 69.459 68.868 -0.228 0.000 1.152 1269 T HN 0.173 nan 8.240 nan 0.000 0.510 1270 Y N -0.061 120.279 120.300 0.067 0.000 2.609 1270 Y HA 0.577 5.127 4.550 -0.000 0.000 0.342 1270 Y C 0.681 176.555 175.900 -0.043 0.000 1.058 1270 Y CA -1.140 56.983 58.100 0.038 0.000 1.055 1270 Y CB 1.538 40.062 38.460 0.107 0.000 1.292 1270 Y HN 0.649 nan 8.280 nan 0.000 0.476 1271 T N -2.138 112.459 114.554 0.072 0.000 2.943 1271 T HA 0.629 4.978 4.350 -0.000 0.000 0.284 1271 T C 0.929 175.543 174.700 -0.142 0.000 1.015 1271 T CA -0.230 61.852 62.100 -0.029 0.000 1.042 1271 T CB 1.723 70.576 68.868 -0.026 0.000 1.055 1271 T HN 0.836 nan 8.240 nan 0.000 0.500 1272 A N 1.250 123.998 122.820 -0.120 0.000 1.969 1272 A HA -0.004 4.315 4.320 -0.000 0.000 0.218 1272 A C 2.300 179.758 177.584 -0.209 0.000 1.169 1272 A CA 1.594 53.534 52.037 -0.163 0.000 0.635 1272 A CB -0.832 18.117 19.000 -0.085 0.000 0.810 1272 A HN 0.971 nan 8.150 nan 0.000 0.445 1273 K N 0.415 120.725 120.400 -0.151 0.000 2.001 1273 K HA -0.256 4.064 4.320 -0.000 0.000 0.214 1273 K C 2.117 178.596 176.600 -0.202 0.000 1.050 1273 K CA 1.996 58.202 56.287 -0.136 0.000 0.934 1273 K CB -0.275 32.177 32.500 -0.080 0.000 0.718 1273 K HN 0.772 nan 8.250 nan 0.000 0.443 1274 E N -0.190 119.874 120.200 -0.228 0.000 2.150 1274 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 1274 E C 1.754 177.923 176.600 -0.719 0.000 0.985 1274 E CA 1.020 57.257 56.400 -0.271 0.000 0.814 1274 E CB -0.218 29.435 29.700 -0.078 0.000 0.752 1274 E HN 0.340 nan 8.360 nan 0.000 0.466 1275 A N 1.543 123.702 122.820 -1.102 0.000 2.066 1275 A HA 0.172 4.491 4.320 -0.000 0.000 0.218 1275 A C 2.433 179.510 177.584 -0.844 0.000 1.157 1275 A CA 1.152 52.053 52.037 -1.894 0.000 0.670 1275 A CB -0.531 17.472 19.000 -1.662 0.000 0.804 1275 A HN 0.415 nan 8.150 nan 0.000 0.453 1276 A N 0.033 122.584 122.820 -0.448 0.000 1.986 1276 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 1276 A C 2.180 179.688 177.584 -0.126 0.000 1.171 1276 A CA 2.322 54.242 52.037 -0.195 0.000 0.640 1276 A CB -1.042 17.877 19.000 -0.134 0.000 0.811 1276 A HN 0.794 nan 8.150 nan 0.000 0.451 1277 T N -5.503 108.948 114.554 -0.172 0.000 3.105 1277 T HA 0.171 4.521 4.350 -0.000 0.000 0.253 1277 T C 0.042 174.745 174.700 0.005 0.000 1.047 1277 T CA -0.612 61.457 62.100 -0.052 0.000 0.944 1277 T CB -0.265 68.586 68.868 -0.029 0.000 1.016 1277 T HN 0.323 nan 8.240 nan 0.000 0.544 1278 W N 4.035 125.147 121.300 -0.314 0.000 2.170 1278 W HA 0.410 5.069 4.660 -0.000 0.000 0.342 1278 W C 1.217 177.682 176.519 -0.090 0.000 1.294 1278 W CA -0.834 56.180 57.345 -0.553 0.000 1.246 1278 W CB 0.252 29.191 29.460 -0.869 0.000 1.156 1278 W HN 0.274 nan 8.180 nan 0.000 0.572 1279 T N -1.081 113.669 114.554 0.328 0.000 2.892 1279 T HA 0.625 4.974 4.350 -0.000 0.000 0.280 1279 T C 1.036 175.963 174.700 0.378 0.000 1.004 1279 T CA -0.077 62.217 62.100 0.323 0.000 0.950 1279 T CB 0.993 70.011 68.868 0.249 0.000 1.309 1279 T HN 0.385 nan 8.240 nan 0.000 0.592 1280 A N -0.151 122.831 122.820 0.270 0.000 2.066 1280 A HA 0.140 4.460 4.320 -0.000 0.000 0.218 1280 A C 2.309 179.982 177.584 0.149 0.000 1.157 1280 A CA 1.126 53.311 52.037 0.247 0.000 0.670 1280 A CB -1.241 17.843 19.000 0.140 0.000 0.804 1280 A HN 0.641 nan 8.150 nan 0.000 0.453 1281 V N 0.024 119.973 119.914 0.058 0.000 2.261 1281 V HA -0.290 3.829 4.120 -0.000 0.000 0.246 1281 V C 2.367 178.354 176.094 -0.180 0.000 1.047 1281 V CA 2.148 64.395 62.300 -0.087 0.000 1.015 1281 V CB -1.168 30.542 31.823 -0.188 0.000 0.642 1281 V HN 0.686 nan 8.190 nan 0.000 0.446 1282 H N -2.255 116.610 119.070 -0.341 0.000 2.321 1282 H HA -0.150 4.405 4.556 -0.000 0.000 0.300 1282 H C 1.261 176.176 175.328 -0.688 0.000 1.087 1282 H CA 1.124 56.719 56.048 -0.756 0.000 1.319 1282 H CB -0.189 28.665 29.762 -1.512 0.000 1.379 1282 H HN 0.415 nan 8.280 nan 0.000 0.501 1286 V N -3.372 116.521 119.914 -0.035 0.000 3.604 1286 V HA 0.218 4.337 4.120 -0.000 0.000 0.277 1286 V C 1.808 178.012 176.094 0.184 0.000 1.399 1286 V CA 0.412 62.748 62.300 0.060 0.000 1.034 1286 V CB 0.669 32.463 31.823 -0.047 0.000 0.824 1286 V HN 0.215 nan 8.190 nan 0.000 0.439 1287 I N 1.647 122.353 120.570 0.226 0.000 2.226 1287 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 1287 I C 2.481 178.691 176.117 0.155 0.000 1.100 1287 I CA 2.060 63.498 61.300 0.231 0.000 1.374 1287 I CB -0.389 37.732 38.000 0.202 0.000 1.057 1287 I HN 0.396 nan 8.210 nan 0.000 0.413 1288 Q N 0.078 119.963 119.800 0.142 0.000 2.084 1288 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 1288 Q C 1.068 177.129 176.000 0.101 0.000 0.978 1288 Q CA 1.241 57.117 55.803 0.120 0.000 0.844 1288 Q CB -0.089 28.741 28.738 0.153 0.000 0.898 1288 Q HN 0.463 nan 8.270 nan 0.000 0.426 1292 D N 2.396 122.829 120.400 0.055 0.000 2.097 1292 D HA 0.223 4.863 4.640 -0.000 0.000 0.197 1292 D C 2.330 178.661 176.300 0.051 0.000 0.984 1292 D CA 1.780 55.809 54.000 0.048 0.000 0.826 1292 D CB -0.478 40.345 40.800 0.038 0.000 0.973 1292 D HN 0.642 nan 8.370 nan 0.000 0.460 1293 A N 0.747 123.599 122.820 0.053 0.000 1.930 1293 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 1293 A C 2.248 179.878 177.584 0.076 0.000 1.175 1293 A CA 1.978 54.050 52.037 0.059 0.000 0.627 1293 A CB -0.563 18.466 19.000 0.049 0.000 0.815 1293 A HN 0.226 nan 8.150 nan 0.000 0.443 1294 A N -0.840 122.012 122.820 0.053 0.000 1.898 1294 A HA -0.060 4.259 4.320 -0.000 0.000 0.216 1294 A C 2.454 180.083 177.584 0.075 0.000 1.181 1294 A CA 1.975 54.035 52.037 0.039 0.000 0.620 1294 A CB -0.922 18.079 19.000 0.002 0.000 0.819 1294 A HN 0.549 nan 8.150 nan 0.000 0.442 1295 S N -0.449 115.291 115.700 0.067 0.000 2.370 1295 S HA -0.172 4.298 4.470 -0.000 0.000 0.226 1295 S C 2.353 177.004 174.600 0.084 0.000 1.033 1295 S CA 2.055 60.298 58.200 0.072 0.000 1.011 1295 S CB -0.473 62.768 63.200 0.068 0.000 0.852 1295 S HN 0.670 nan 8.310 nan 0.000 0.457 1296 S N -0.813 114.942 115.700 0.091 0.000 2.356 1296 S HA -0.091 4.379 4.470 -0.000 0.000 0.223 1296 S C 0.912 175.576 174.600 0.107 0.000 1.032 1296 S CA 0.679 58.933 58.200 0.089 0.000 1.005 1296 S CB -0.659 62.587 63.200 0.076 0.000 0.867 1296 S HN 0.676 nan 8.310 nan 0.000 0.449 1300 D N 0.404 120.858 120.400 0.090 0.000 2.178 1300 D HA -0.063 4.576 4.640 -0.000 0.000 0.202 1300 D C 1.673 178.049 176.300 0.127 0.000 0.974 1300 D CA 1.148 55.248 54.000 0.168 0.000 0.841 1300 D CB -0.039 40.816 40.800 0.092 0.000 0.953 1300 D HN 0.508 nan 8.370 nan 0.000 0.478 1301 Y N -0.314 119.913 120.300 -0.121 0.000 2.200 1301 Y HA -0.190 4.360 4.550 -0.000 0.000 0.290 1301 Y C 1.720 177.647 175.900 0.045 0.000 1.137 1301 Y CA 1.633 59.672 58.100 -0.101 0.000 1.163 1301 Y CB -0.460 37.901 38.460 -0.165 0.000 0.988 1301 Y HN 0.093 nan 8.280 nan 0.000 0.518 1302 Y N -0.200 120.206 120.300 0.177 0.000 2.128 1302 Y HA -0.313 4.237 4.550 -0.000 0.000 0.284 1302 Y C 2.423 178.293 175.900 -0.050 0.000 1.154 1302 Y CA 1.203 59.337 58.100 0.055 0.000 1.149 1302 Y CB -0.405 38.121 38.460 0.110 0.000 0.976 1302 Y HN 0.116 nan 8.280 nan 0.000 0.505 1303 L N -1.072 120.247 121.223 0.160 0.000 2.046 1303 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 1303 L C 2.555 179.499 176.870 0.124 0.000 1.077 1303 L CA 1.136 56.008 54.840 0.054 0.000 0.747 1303 L CB -0.611 41.288 42.059 -0.267 0.000 0.896 1303 L HN 0.086 nan 8.230 nan 0.000 0.432 1304 S N -0.947 114.845 115.700 0.153 0.000 2.382 1304 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 1304 S C 2.009 176.640 174.600 0.052 0.000 1.027 1304 S CA 1.727 60.056 58.200 0.215 0.000 0.991 1304 S CB -0.220 63.064 63.200 0.141 0.000 0.823 1304 S HN 0.441 nan 8.310 nan 0.000 0.469 1305 T N 2.129 116.612 114.554 -0.118 0.000 2.674 1305 T HA -0.064 4.286 4.350 -0.000 0.000 0.265 1305 T C 2.129 176.737 174.700 -0.155 0.000 1.039 1305 T CA 1.328 63.314 62.100 -0.191 0.000 1.150 1305 T CB -0.520 68.174 68.868 -0.290 0.000 0.864 1305 T HN 0.461 nan 8.240 nan 0.000 0.427 1306 A N 0.655 123.339 122.820 -0.227 0.000 1.877 1306 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 1306 A C 2.044 179.349 177.584 -0.465 0.000 1.186 1306 A CA 1.447 53.171 52.037 -0.521 0.000 0.620 1306 A CB -1.078 17.335 19.000 -0.977 0.000 0.822 1306 A HN 0.482 nan 8.150 nan 0.000 0.443 1307 F N -0.134 119.743 119.950 -0.121 0.000 2.134 1307 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 1307 F C 2.819 178.635 175.800 0.027 0.000 1.097 1307 F CA 1.930 59.964 58.000 0.056 0.000 1.264 1307 F CB -0.386 38.726 39.000 0.187 0.000 1.001 1307 F HN 0.261 nan 8.300 nan 0.000 0.479 1308 Q N -0.144 119.766 119.800 0.183 0.000 2.096 1308 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 1308 Q C 2.454 178.474 176.000 0.034 0.000 0.982 1308 Q CA 1.472 57.336 55.803 0.101 0.000 0.850 1308 Q CB -0.478 28.295 28.738 0.058 0.000 0.901 1308 Q HN 0.438 nan 8.270 nan 0.000 0.422 1309 A N 0.283 123.085 122.820 -0.030 0.000 2.076 1309 A HA -0.131 4.188 4.320 -0.000 0.000 0.220 1309 A C 1.562 179.120 177.584 -0.042 0.000 1.160 1309 A CA 1.080 53.083 52.037 -0.057 0.000 0.653 1309 A CB -0.226 18.703 19.000 -0.118 0.000 0.801 1309 A HN 0.327 nan 8.150 nan 0.000 0.455 1310 L N -1.219 119.989 121.223 -0.025 0.000 2.965 1310 L HA 0.168 4.508 4.340 -0.000 0.000 0.254 1310 L C -0.427 176.482 176.870 0.066 0.000 1.220 1310 L CA -0.146 54.698 54.840 0.008 0.000 1.023 1310 L CB -0.193 41.862 42.059 -0.007 0.000 1.355 1310 L HN 0.281 nan 8.230 nan 0.000 0.545 1311 D N -0.110 120.331 120.400 0.069 0.000 2.737 1311 D HA -0.200 4.440 4.640 -0.000 0.000 0.233 1311 D C 0.275 176.649 176.300 0.122 0.000 1.155 1311 D CA 1.028 55.078 54.000 0.082 0.000 0.667 1311 D CB -0.629 40.205 40.800 0.057 0.000 1.060 1311 D HN 0.203 nan 8.370 nan 0.000 0.427 1312 S N -0.803 115.014 115.700 0.195 0.000 2.668 1312 S HA 0.106 4.576 4.470 -0.000 0.000 0.244 1312 S C 1.353 176.136 174.600 0.306 0.000 1.140 1312 S CA -0.693 57.667 58.200 0.266 0.000 1.134 1312 S CB 0.924 64.347 63.200 0.371 0.000 0.954 1312 S HN 0.301 nan 8.310 nan 0.000 0.490 1313 K N 2.613 123.138 120.400 0.209 0.000 2.059 1313 K HA -0.156 4.164 4.320 -0.000 0.000 0.212 1313 K C 1.058 177.709 176.600 0.086 0.000 1.050 1313 K CA 1.538 57.925 56.287 0.166 0.000 0.927 1313 K CB -0.098 32.466 32.500 0.107 0.000 0.714 1313 K HN 0.228 nan 8.250 nan 0.000 0.447 1314 N N 1.184 119.929 118.700 0.074 0.000 2.550 1314 N HA -0.081 4.658 4.740 -0.000 0.000 0.186 1314 N C 0.777 176.317 175.510 0.051 0.000 1.110 1314 N CA 0.581 53.660 53.050 0.049 0.000 0.912 1314 N CB -0.206 38.310 38.487 0.048 0.000 0.968 1314 N HN 0.270 nan 8.380 nan 0.000 0.448 1315 N N -0.138 118.588 118.700 0.043 0.000 2.494 1315 N HA -0.091 4.649 4.740 -0.000 0.000 0.182 1315 N C -0.418 175.037 175.510 -0.092 0.000 1.076 1315 N CA 0.363 53.434 53.050 0.036 0.000 0.908 1315 N CB 0.006 38.617 38.487 0.206 0.000 0.967 1315 N HN 0.282 nan 8.380 nan 0.000 0.449 1316 Y N 0.957 120.980 120.300 -0.462 0.000 2.328 1316 Y HA 0.517 5.067 4.550 -0.000 0.000 0.333 1316 Y C -1.346 174.459 175.900 -0.158 0.000 0.958 1316 Y CA -1.808 55.977 58.100 -0.524 0.000 1.167 1316 Y CB 0.547 38.321 38.460 -1.143 0.000 1.151 1316 Y HN -0.217 nan 8.280 nan 0.000 0.470 1317 L N 7.701 128.778 121.223 -0.243 0.000 2.319 1317 L HA 0.600 4.940 4.340 -0.000 0.000 0.281 1317 L C -1.216 175.391 176.870 -0.437 0.000 1.005 1317 L CA -0.771 53.880 54.840 -0.314 0.000 0.828 1317 L CB 1.057 43.025 42.059 -0.151 0.000 1.227 1317 L HN 0.745 nan 8.230 nan 0.000 0.415 1318 R N 4.219 124.421 120.500 -0.496 0.000 2.310 1318 R HA 0.673 5.012 4.340 -0.000 0.000 0.324 1318 R C -1.805 174.368 176.300 -0.211 0.000 0.955 1318 R CA -0.450 55.442 56.100 -0.345 0.000 0.830 1318 R CB 1.214 31.280 30.300 -0.390 0.000 1.154 1318 R HN 0.404 nan 8.270 nan 0.000 0.458 1319 V N 5.207 124.927 119.914 -0.324 0.000 2.311 1319 V HA 0.449 4.568 4.120 -0.000 0.000 0.275 1319 V C -0.532 175.310 176.094 -0.421 0.000 1.022 1319 V CA -0.575 61.327 62.300 -0.664 0.000 0.830 1319 V CB 0.811 32.213 31.823 -0.703 0.000 1.012 1319 V HN 0.735 nan 8.190 nan 0.000 0.452 1320 Q N 3.244 122.845 119.800 -0.332 0.000 2.345 1320 Q HA 0.551 4.890 4.340 -0.000 0.000 0.275 1320 Q C -1.017 174.937 176.000 -0.075 0.000 1.063 1320 Q CA -0.609 55.106 55.803 -0.147 0.000 0.819 1320 Q CB 2.335 31.036 28.738 -0.060 0.000 1.356 1320 Q HN 0.759 nan 8.270 nan 0.000 0.418 1321 E N 2.028 122.193 120.200 -0.059 0.000 2.146 1321 E HA 0.334 4.683 4.350 -0.000 0.000 0.282 1321 E C -0.610 175.985 176.600 -0.009 0.000 0.989 1321 E CA -0.033 56.354 56.400 -0.021 0.000 0.799 1321 E CB 0.625 30.304 29.700 -0.034 0.000 1.088 1321 E HN 0.650 nan 8.360 nan 0.000 0.397 1322 N N 3.307 122.010 118.700 0.005 0.000 2.230 1322 N HA 0.154 4.894 4.740 -0.000 0.000 0.202 1322 N C -0.552 174.940 175.510 -0.030 0.000 1.119 1322 N CA 0.342 53.389 53.050 -0.005 0.000 0.851 1322 N CB 1.177 39.669 38.487 0.007 0.000 0.990 1322 N HN 0.365 nan 8.380 nan 0.000 0.497 1323 A N 1.119 123.924 122.820 -0.025 0.000 3.253 1323 A HA 0.379 4.699 4.320 -0.000 0.000 0.290 1323 A C -0.008 177.563 177.584 -0.022 0.000 0.950 1323 A CA -0.469 51.545 52.037 -0.037 0.000 0.986 1323 A CB -0.117 18.870 19.000 -0.022 0.000 1.104 1323 A HN 0.070 nan 8.150 nan 0.000 0.481 1324 L N 1.602 122.808 121.223 -0.027 0.000 2.426 1324 L HA 0.425 4.765 4.340 -0.000 0.000 0.271 1324 L C 0.995 177.854 176.870 -0.018 0.000 1.169 1324 L CA 0.237 55.064 54.840 -0.022 0.000 0.836 1324 L CB 1.154 43.196 42.059 -0.028 0.000 1.112 1324 L HN 0.656 nan 8.230 nan 0.000 0.465 1325 T N -0.754 113.794 114.554 -0.009 0.000 2.864 1325 T HA 0.748 5.098 4.350 -0.000 0.000 0.289 1325 T C 0.432 175.128 174.700 -0.006 0.000 1.082 1325 T CA -0.117 61.982 62.100 -0.002 0.000 1.009 1325 T CB 1.776 70.653 68.868 0.016 0.000 1.234 1325 T HN 0.948 nan 8.240 nan 0.000 0.526 1326 G N 1.395 110.193 108.800 -0.003 0.000 2.614 1326 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.303 1326 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.303 1326 G C 1.175 176.066 174.900 -0.014 0.000 1.270 1326 G CA 2.033 47.130 45.100 -0.006 0.000 0.988 1326 G HN 2.031 nan 8.290 nan 0.000 0.551 1327 T N -1.818 112.725 114.554 -0.019 0.000 2.915 1327 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 1327 T C 2.508 177.181 174.700 -0.045 0.000 1.071 1327 T CA 2.853 64.934 62.100 -0.031 0.000 1.132 1327 T CB -1.014 67.833 68.868 -0.035 0.000 0.878 1327 T HN 1.844 nan 8.240 nan 0.000 0.479 1328 T N 0.860 115.389 114.554 -0.042 0.000 3.077 1328 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 1328 T C 1.977 176.642 174.700 -0.057 0.000 1.146 1328 T CA 1.476 63.544 62.100 -0.054 0.000 1.091 1328 T CB -1.179 67.664 68.868 -0.041 0.000 0.892 1328 T HN 0.677 nan 8.240 nan 0.000 0.533 1329 T N -1.780 112.748 114.554 -0.043 0.000 3.043 1329 T HA 0.111 4.460 4.350 -0.000 0.000 0.263 1329 T C 0.799 175.473 174.700 -0.043 0.000 1.094 1329 T CA -0.011 62.068 62.100 -0.034 0.000 1.127 1329 T CB -0.042 68.818 68.868 -0.014 0.000 0.905 1329 T HN 0.268 nan 8.240 nan 0.000 0.490 1333 D N 1.325 121.494 120.400 -0.386 0.000 2.479 1333 D HA 0.507 5.147 4.640 -0.000 0.000 0.218 1333 D C 0.426 176.597 176.300 -0.217 0.000 1.131 1333 D CA -0.344 53.532 54.000 -0.206 0.000 0.916 1333 D CB 0.967 41.685 40.800 -0.136 0.000 1.022 1333 D HN 0.235 nan 8.370 nan 0.000 0.515 1334 A N 3.048 125.778 122.820 -0.150 0.000 2.532 1334 A HA 0.232 4.551 4.320 -0.000 0.000 0.273 1334 A C 0.923 178.451 177.584 -0.093 0.000 1.342 1334 A CA -0.377 51.600 52.037 -0.100 0.000 0.929 1334 A CB -0.498 18.542 19.000 0.066 0.000 1.051 1334 A HN 0.475 nan 8.150 nan 0.000 0.521 1335 S N -0.822 114.827 115.700 -0.085 0.000 2.584 1335 S HA 0.142 4.612 4.470 -0.000 0.000 0.270 1335 S C 0.858 175.410 174.600 -0.080 0.000 1.346 1335 S CA -0.197 57.968 58.200 -0.058 0.000 1.018 1335 S CB 0.926 64.103 63.200 -0.038 0.000 0.899 1335 S HN 0.357 nan 8.310 nan 0.000 0.542 1336 E N 1.752 121.932 120.200 -0.034 0.000 2.058 1336 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 1336 E C 2.398 179.013 176.600 0.025 0.000 0.997 1336 E CA 1.717 58.123 56.400 0.009 0.000 0.801 1336 E CB -1.026 28.713 29.700 0.065 0.000 0.746 1336 E HN 0.854 nan 8.360 nan 0.000 0.450 1337 A N 1.624 124.453 122.820 0.015 0.000 1.940 1337 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 1337 A C 1.623 179.207 177.584 -0.000 0.000 1.176 1337 A CA 0.988 53.038 52.037 0.020 0.000 0.631 1337 A CB -0.572 18.434 19.000 0.010 0.000 0.814 1337 A HN 0.286 nan 8.150 nan 0.000 0.446 1341 L N 1.466 122.725 121.223 0.060 0.000 2.141 1341 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 1341 L C 2.312 179.196 176.870 0.024 0.000 1.094 1341 L CA 1.015 55.874 54.840 0.032 0.000 0.763 1341 L CB -0.164 41.899 42.059 0.007 0.000 0.908 1341 L HN 0.143 nan 8.230 nan 0.000 0.437 1342 L N -1.146 120.083 121.223 0.011 0.000 2.056 1342 L HA -0.187 4.152 4.340 -0.000 0.000 0.207 1342 L C 2.507 179.401 176.870 0.041 0.000 1.078 1342 L CA 0.796 55.633 54.840 -0.005 0.000 0.749 1342 L CB -0.468 41.554 42.059 -0.061 0.000 0.901 1342 L HN 0.042 nan 8.230 nan 0.000 0.433 1343 V N -0.493 119.487 119.914 0.110 0.000 2.407 1343 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 1343 V C 2.445 178.582 176.094 0.072 0.000 1.055 1343 V CA 1.668 64.046 62.300 0.130 0.000 1.049 1343 V CB -0.468 31.472 31.823 0.196 0.000 0.662 1343 V HN 0.498 nan 8.190 nan 0.000 0.455 1344 Q N -0.705 119.131 119.800 0.060 0.000 2.079 1344 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 1344 Q C 2.452 178.464 176.000 0.019 0.000 0.974 1344 Q CA 1.926 57.750 55.803 0.036 0.000 0.840 1344 Q CB -0.365 28.393 28.738 0.033 0.000 0.898 1344 Q HN 0.621 nan 8.270 nan 0.000 0.430 1345 V N -0.042 119.879 119.914 0.012 0.000 2.407 1345 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 1345 V C 1.854 177.943 176.094 -0.009 0.000 1.055 1345 V CA 2.376 64.675 62.300 -0.001 0.000 1.049 1345 V CB -0.891 30.926 31.823 -0.011 0.000 0.662 1345 V HN 0.430 nan 8.190 nan 0.000 0.455 1346 G N -0.478 108.319 108.800 -0.004 0.000 2.459 1346 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 1346 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 1346 G C 1.415 176.302 174.900 -0.021 0.000 1.183 1346 G CA 1.002 46.094 45.100 -0.013 0.000 0.776 1346 G HN 0.620 nan 8.290 nan 0.000 0.552 1347 E N 0.291 120.490 120.200 -0.002 0.000 2.110 1347 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 1347 E C 2.386 178.971 176.600 -0.025 0.000 0.988 1347 E CA 0.956 57.349 56.400 -0.011 0.000 0.804 1347 E CB -0.150 29.556 29.700 0.010 0.000 0.745 1347 E HN 0.520 nan 8.360 nan 0.000 0.458 1348 N N 0.189 118.882 118.700 -0.011 0.000 2.270 1348 N HA -0.116 4.624 4.740 -0.000 0.000 0.181 1348 N C 1.673 177.183 175.510 -0.000 0.000 1.016 1348 N CA 0.143 53.190 53.050 -0.005 0.000 0.870 1348 N CB 0.050 38.540 38.487 0.004 0.000 0.979 1348 N HN 0.015 nan 8.380 nan 0.000 0.431 1349 L N 0.867 122.085 121.223 -0.009 0.000 2.083 1349 L HA -0.075 4.264 4.340 -0.000 0.000 0.209 1349 L C 1.569 178.463 176.870 0.040 0.000 1.083 1349 L CA 1.341 56.185 54.840 0.008 0.000 0.752 1349 L CB -0.471 41.544 42.059 -0.073 0.000 0.899 1349 L HN 0.205 nan 8.230 nan 0.000 0.433 1350 L N -0.023 121.168 121.223 -0.054 0.000 2.191 1350 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 1350 L C 2.085 178.917 176.870 -0.065 0.000 1.103 1350 L CA 1.583 56.349 54.840 -0.124 0.000 0.769 1350 L CB -1.151 40.741 42.059 -0.279 0.000 0.908 1350 L HN 0.478 nan 8.230 nan 0.000 0.438 1351 K N -0.697 119.685 120.400 -0.029 0.000 2.372 1351 K HA 0.127 4.447 4.320 -0.000 0.000 0.200 1351 K C 0.449 177.041 176.600 -0.013 0.000 1.022 1351 K CA -0.161 56.109 56.287 -0.028 0.000 1.125 1351 K CB 0.822 33.306 32.500 -0.028 0.000 0.855 1351 K HN 0.167 nan 8.250 nan 0.000 0.524 1352 K N 2.416 122.835 120.400 0.032 0.000 2.144 1352 K HA 0.230 4.550 4.320 -0.000 0.000 0.270 1352 K C -2.609 173.904 176.600 -0.146 0.000 1.005 1352 K CA -2.082 54.206 56.287 0.002 0.000 0.932 1352 K CB 0.756 33.311 32.500 0.092 0.000 1.021 1352 K HN -0.183 nan 8.250 nan 0.000 0.462 1353 P HA -0.084 nan 4.420 nan 0.000 0.268 1353 P C 0.620 177.591 177.300 -0.548 0.000 1.205 1353 P CA -0.100 62.829 63.100 -0.285 0.000 0.771 1353 P CB 0.787 32.389 31.700 -0.163 0.000 0.858 1354 V N 2.011 121.521 119.914 -0.674 0.000 2.594 1354 V HA -0.112 4.008 4.120 -0.000 0.000 0.253 1354 V C 0.792 176.649 176.094 -0.394 0.000 1.069 1354 V CA 2.714 64.498 62.300 -0.860 0.000 1.082 1354 V CB -0.385 31.136 31.823 -0.503 0.000 0.680 1354 V HN 0.844 nan 8.190 nan 0.000 0.469 1355 S N -2.570 112.984 115.700 -0.242 0.000 2.755 1355 S HA 0.316 4.786 4.470 -0.000 0.000 0.286 1355 S C 0.527 175.076 174.600 -0.085 0.000 1.207 1355 S CA 0.264 58.388 58.200 -0.126 0.000 0.892 1355 S CB 0.952 64.096 63.200 -0.093 0.000 1.240 1355 S HN 0.264 nan 8.310 nan 0.000 0.525 1356 E N 0.764 120.934 120.200 -0.049 0.000 2.146 1356 E HA -0.239 4.111 4.350 -0.000 0.000 0.241 1356 E C -0.124 176.456 176.600 -0.034 0.000 0.937 1356 E CA 2.676 59.058 56.400 -0.029 0.000 0.916 1356 E CB -0.214 29.476 29.700 -0.015 0.000 0.884 1356 E HN 0.641 nan 8.360 nan 0.000 0.561 1357 D N -0.358 120.023 120.400 -0.031 0.000 2.755 1357 D HA 0.148 4.788 4.640 -0.000 0.000 0.257 1357 D C -0.993 175.284 176.300 -0.040 0.000 1.291 1357 D CA -0.010 53.971 54.000 -0.031 0.000 0.836 1357 D CB -0.659 40.131 40.800 -0.018 0.000 1.059 1357 D HN 0.169 nan 8.370 nan 0.000 0.486 1358 N N 1.625 120.289 118.700 -0.059 0.000 2.602 1358 N HA 0.077 4.816 4.740 -0.000 0.000 0.238 1358 N C -1.477 173.983 175.510 -0.084 0.000 1.084 1358 N CA -1.644 51.365 53.050 -0.069 0.000 0.952 1358 N CB 1.179 39.613 38.487 -0.087 0.000 1.244 1358 N HN -0.109 nan 8.380 nan 0.000 0.512 1359 P HA -0.209 nan 4.420 nan 0.000 0.220 1359 P C 0.014 177.269 177.300 -0.075 0.000 1.144 1359 P CA 0.975 64.039 63.100 -0.060 0.000 0.800 1359 P CB 0.171 31.847 31.700 -0.039 0.000 0.772 1360 E N 1.161 121.313 120.200 -0.081 0.000 2.415 1360 E HA 0.061 4.411 4.350 -0.000 0.000 0.263 1360 E C 0.207 176.722 176.600 -0.141 0.000 0.995 1360 E CA 0.054 56.403 56.400 -0.085 0.000 0.915 1360 E CB 0.458 30.116 29.700 -0.070 0.000 0.951 1360 E HN 0.147 nan 8.360 nan 0.000 0.449 1361 T N 1.434 115.920 114.554 -0.113 0.000 2.874 1361 T HA 0.124 4.474 4.350 -0.000 0.000 0.281 1361 T C 1.065 175.692 174.700 -0.122 0.000 0.994 1361 T CA -0.368 61.645 62.100 -0.145 0.000 1.015 1361 T CB 0.513 69.335 68.868 -0.077 0.000 1.028 1361 T HN 0.505 nan 8.240 nan 0.000 0.523 1362 Y N -0.028 120.217 120.300 -0.092 0.000 2.207 1362 Y HA -0.126 4.423 4.550 -0.000 0.000 0.287 1362 Y C 2.837 178.658 175.900 -0.132 0.000 1.156 1362 Y CA 1.626 59.661 58.100 -0.108 0.000 1.182 1362 Y CB -0.094 38.287 38.460 -0.131 0.000 0.979 1362 Y HN 0.872 nan 8.280 nan 0.000 0.521 1363 E N 0.731 120.907 120.200 -0.040 0.000 2.058 1363 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 1363 E C 1.846 178.459 176.600 0.021 0.000 0.997 1363 E CA 1.874 58.150 56.400 -0.205 0.000 0.801 1363 E CB -0.016 29.539 29.700 -0.242 0.000 0.746 1363 E HN 0.622 nan 8.360 nan 0.000 0.450 1364 E N 0.312 120.532 120.200 0.035 0.000 2.072 1364 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 1364 E C 2.192 178.850 176.600 0.098 0.000 0.985 1364 E CA 0.839 57.282 56.400 0.072 0.000 0.801 1364 E CB -0.255 29.464 29.700 0.031 0.000 0.750 1364 E HN 0.320 nan 8.360 nan 0.000 0.452 1365 A N 1.952 124.822 122.820 0.083 0.000 1.908 1365 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 1365 A C 2.313 180.008 177.584 0.186 0.000 1.181 1365 A CA 1.137 53.243 52.037 0.114 0.000 0.627 1365 A CB -0.734 18.324 19.000 0.096 0.000 0.818 1365 A HN 0.152 nan 8.150 nan 0.000 0.445 1366 L N -1.097 120.243 121.223 0.194 0.000 2.093 1366 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 1366 L C 2.562 179.615 176.870 0.305 0.000 1.085 1366 L CA 1.605 56.598 54.840 0.256 0.000 0.755 1366 L CB -0.303 41.925 42.059 0.283 0.000 0.904 1366 L HN 0.321 nan 8.230 nan 0.000 0.435 1367 K N -0.252 120.320 120.400 0.287 0.000 2.057 1367 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 1367 K C 2.255 178.937 176.600 0.137 0.000 1.049 1367 K CA 1.327 57.735 56.287 0.202 0.000 0.931 1367 K CB -0.026 32.585 32.500 0.186 0.000 0.714 1367 K HN 0.136 nan 8.250 nan 0.000 0.440 1368 R N -0.490 120.094 120.500 0.140 0.000 2.073 1368 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 1368 R C 2.116 178.481 176.300 0.107 0.000 1.134 1368 R CA 1.708 57.867 56.100 0.099 0.000 0.952 1368 R CB -0.414 29.942 30.300 0.094 0.000 0.850 1368 R HN 0.146 nan 8.270 nan 0.000 0.433 1369 F N 0.969 120.941 119.950 0.037 0.000 2.102 1369 F HA -0.221 4.305 4.527 -0.000 0.000 0.298 1369 F C 2.318 178.109 175.800 -0.015 0.000 1.105 1369 F CA 1.493 59.510 58.000 0.028 0.000 1.239 1369 F CB -0.321 38.719 39.000 0.067 0.000 0.991 1369 F HN 0.056 nan 8.300 nan 0.000 0.474 1370 A N -0.051 122.899 122.820 0.216 0.000 1.892 1370 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 1370 A C 2.102 179.651 177.584 -0.058 0.000 1.188 1370 A CA 2.190 54.248 52.037 0.035 0.000 0.631 1370 A CB -0.874 18.121 19.000 -0.008 0.000 0.822 1370 A HN 0.379 nan 8.150 nan 0.000 0.447 1371 K N -0.103 120.280 120.400 -0.028 0.000 2.103 1371 K HA -0.047 4.272 4.320 -0.000 0.000 0.207 1371 K C 1.734 178.291 176.600 -0.071 0.000 1.048 1371 K CA 1.493 57.755 56.287 -0.042 0.000 0.930 1371 K CB -0.506 31.983 32.500 -0.019 0.000 0.716 1371 K HN 0.484 nan 8.250 nan 0.000 0.444 1372 L N -0.075 121.076 121.223 -0.119 0.000 2.056 1372 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 1372 L C 2.042 178.811 176.870 -0.170 0.000 1.078 1372 L CA 0.463 55.200 54.840 -0.173 0.000 0.749 1372 L CB -0.453 41.425 42.059 -0.302 0.000 0.901 1372 L HN 0.178 nan 8.230 nan 0.000 0.433 1373 L N -0.485 120.619 121.223 -0.198 0.000 2.017 1373 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 1373 L C 2.850 179.747 176.870 0.046 0.000 1.073 1373 L CA 1.991 56.749 54.840 -0.137 0.000 0.745 1373 L CB -1.595 40.323 42.059 -0.236 0.000 0.894 1373 L HN 0.293 nan 8.230 nan 0.000 0.432 1374 S N -0.693 115.011 115.700 0.006 0.000 2.356 1374 S HA -0.185 4.285 4.470 -0.000 0.000 0.223 1374 S C 1.715 176.352 174.600 0.062 0.000 1.032 1374 S CA 1.454 59.722 58.200 0.113 0.000 1.005 1374 S CB -0.122 63.092 63.200 0.024 0.000 0.867 1374 S HN 0.406 nan 8.310 nan 0.000 0.449 1375 D N 0.958 121.359 120.400 0.002 0.000 2.097 1375 D HA -0.096 4.544 4.640 -0.000 0.000 0.195 1375 D C 2.181 178.469 176.300 -0.019 0.000 0.989 1375 D CA 0.941 54.933 54.000 -0.013 0.000 0.827 1375 D CB -0.452 40.330 40.800 -0.030 0.000 0.966 1375 D HN 0.431 nan 8.370 nan 0.000 0.456 1376 R N 0.965 121.446 120.500 -0.031 0.000 2.091 1376 R HA -0.149 4.190 4.340 -0.000 0.000 0.238 1376 R C 2.121 178.397 176.300 -0.039 0.000 1.136 1376 R CA 1.468 57.542 56.100 -0.042 0.000 0.959 1376 R CB -0.030 30.232 30.300 -0.063 0.000 0.856 1376 R HN 0.056 nan 8.270 nan 0.000 0.437 1377 K N 0.646 121.034 120.400 -0.021 0.000 2.057 1377 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 1377 K C 1.922 178.487 176.600 -0.058 0.000 1.049 1377 K CA 1.663 57.911 56.287 -0.065 0.000 0.931 1377 K CB 0.072 32.505 32.500 -0.111 0.000 0.714 1377 K HN 0.104 nan 8.250 nan 0.000 0.440 1378 K N 0.591 120.974 120.400 -0.028 0.000 2.009 1378 K HA -0.119 4.200 4.320 -0.000 0.000 0.210 1378 K C 2.140 178.720 176.600 -0.033 0.000 1.049 1378 K CA 1.626 57.896 56.287 -0.027 0.000 0.929 1378 K CB -0.181 32.312 32.500 -0.012 0.000 0.714 1378 K HN 0.133 nan 8.250 nan 0.000 0.440 1379 L N 0.449 121.654 121.223 -0.031 0.000 1.971 1379 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 1379 L C 2.411 179.258 176.870 -0.038 0.000 1.072 1379 L CA 1.623 56.444 54.840 -0.031 0.000 0.758 1379 L CB -0.791 41.249 42.059 -0.031 0.000 0.889 1379 L HN 0.183 nan 8.230 nan 0.000 0.433 1380 R N -0.301 120.170 120.500 -0.048 0.000 2.276 1380 R HA -0.184 4.156 4.340 -0.000 0.000 0.243 1380 R C 2.123 178.391 176.300 -0.055 0.000 1.161 1380 R CA 1.397 57.463 56.100 -0.056 0.000 1.007 1380 R CB -0.295 29.962 30.300 -0.072 0.000 0.867 1380 R HN 0.507 nan 8.270 nan 0.000 0.472 1381 A N -0.246 122.544 122.820 -0.051 0.000 1.884 1381 A HA 0.116 4.436 4.320 -0.000 0.000 0.212 1381 A C 0.340 177.903 177.584 -0.036 0.000 1.265 1381 A CA 1.021 53.030 52.037 -0.047 0.000 0.626 1381 A CB 0.024 18.995 19.000 -0.048 0.000 0.943 1381 A HN 0.475 nan 8.150 nan 0.000 0.466 1382 N N 0.000 118.681 118.700 -0.031 0.000 1.763 1382 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1382 N CA 0.000 53.035 53.050 -0.025 0.000 0.885 1382 N CB 0.000 38.474 38.487 -0.022 0.000 1.341 1382 N HN 0.000 nan 8.380 nan 0.000 0.667