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 3pls_1_A DATA FIRST_RESID 1060 DATA SEQUENCE RDLDSALLAE VKDVLIPHER VVTHSDRVIG KGHFGVVYHG EYIDQAQNRI DATA SEQUENCE QCAIKSLSRI TEMQQVEAFL REGLLMRGLN HPNVLALIGI MLPPEGLPHV DATA SEQUENCE LLPYMCHGDL LQFIRSPQRN PTVKDLISFG LQVARGMEYL AEQKFVHRDL DATA SEQUENCE AARNCMLDES FTVKVADFGL ARDILDREYY SVQQHRHARL PVKWTALESL DATA SEQUENCE QTYRFTTKSD VWSFGVLLWE LLTRGAPPYR HIDPFDLTHF LAQGRRLPQP DATA SEQUENCE EYCPDSLYQV MQQCWEADPA VRPTFRVLVG EVEQIVSALL GDHYVQLP 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 1060 R HA 0.000 nan 4.340 nan 0.000 0.208 1060 R C 0.000 176.305 176.300 0.008 0.000 0.893 1060 R CA 0.000 56.099 56.100 -0.001 0.000 0.921 1060 R CB 0.000 30.302 30.300 0.003 0.000 0.687 1061 D N 1.871 122.275 120.400 0.007 0.000 2.453 1061 D HA 0.323 4.947 4.640 -0.027 0.000 0.223 1061 D C -0.607 175.701 176.300 0.012 0.000 1.183 1061 D CA 0.259 54.264 54.000 0.009 0.000 0.933 1061 D CB 0.287 41.091 40.800 0.006 0.000 1.038 1061 D HN 0.186 nan 8.370 nan 0.000 0.513 1062 L N 0.805 122.037 121.223 0.016 0.000 2.304 1062 L HA 0.329 4.653 4.340 -0.027 0.000 0.268 1062 L C 0.385 177.265 176.870 0.016 0.000 1.010 1062 L CA -1.216 53.635 54.840 0.018 0.000 0.813 1062 L CB 1.381 43.454 42.059 0.024 0.000 1.315 1062 L HN 0.076 nan 8.230 nan 0.000 0.445 1063 D N -0.105 120.305 120.400 0.016 0.000 2.368 1063 D HA -0.005 4.619 4.640 -0.027 0.000 0.268 1063 D C 0.931 177.238 176.300 0.013 0.000 1.298 1063 D CA 0.379 54.387 54.000 0.013 0.000 0.938 1063 D CB 0.882 41.689 40.800 0.013 0.000 1.101 1063 D HN 0.459 nan 8.370 nan 0.000 0.509 1064 S N 3.168 118.876 115.700 0.012 0.000 2.392 1064 S HA -0.292 4.162 4.470 -0.027 0.000 0.232 1064 S C 2.022 176.628 174.600 0.010 0.000 1.041 1064 S CA 1.235 59.441 58.200 0.012 0.000 1.026 1064 S CB -0.291 62.915 63.200 0.010 0.000 0.845 1064 S HN 0.709 nan 8.310 nan 0.000 0.465 1065 A N 1.330 124.155 122.820 0.009 0.000 1.933 1065 A HA -0.031 4.273 4.320 -0.027 0.000 0.218 1065 A C 2.127 179.715 177.584 0.007 0.000 1.175 1065 A CA 1.467 53.508 52.037 0.007 0.000 0.628 1065 A CB -0.655 18.349 19.000 0.007 0.000 0.814 1065 A HN 0.426 nan 8.150 nan 0.000 0.444 1066 L N -0.401 120.828 121.223 0.009 0.000 1.994 1066 L HA -0.114 4.210 4.340 -0.027 0.000 0.208 1066 L C 2.172 179.047 176.870 0.008 0.000 1.071 1066 L CA 1.940 56.785 54.840 0.009 0.000 0.745 1066 L CB -0.696 41.370 42.059 0.013 0.000 0.892 1066 L HN 0.288 nan 8.230 nan 0.000 0.431 1067 L N 0.063 121.293 121.223 0.012 0.000 2.127 1067 L HA -0.161 4.163 4.340 -0.027 0.000 0.211 1067 L C 2.654 179.529 176.870 0.008 0.000 1.089 1067 L CA 1.608 56.455 54.840 0.012 0.000 0.757 1067 L CB -1.184 40.885 42.059 0.017 0.000 0.899 1067 L HN 0.401 nan 8.230 nan 0.000 0.434 1068 A N -0.772 122.053 122.820 0.007 0.000 1.897 1068 A HA -0.219 4.085 4.320 -0.027 0.000 0.215 1068 A C 2.362 179.948 177.584 0.003 0.000 1.181 1068 A CA 1.538 53.578 52.037 0.005 0.000 0.620 1068 A CB -0.490 18.514 19.000 0.005 0.000 0.821 1068 A HN 0.464 nan 8.150 nan 0.000 0.443 1069 E N -0.291 119.910 120.200 0.002 0.000 2.110 1069 E HA -0.112 4.222 4.350 -0.027 0.000 0.193 1069 E C 0.707 177.305 176.600 -0.004 0.000 0.988 1069 E CA 1.443 57.843 56.400 -0.000 0.000 0.804 1069 E CB 0.025 29.725 29.700 -0.000 0.000 0.745 1069 E HN 0.307 nan 8.360 nan 0.000 0.458 1070 V N 1.116 121.027 119.914 -0.005 0.000 3.271 1070 V HA 0.040 4.144 4.120 -0.027 0.000 0.327 1070 V C 1.643 177.731 176.094 -0.010 0.000 1.389 1070 V CA 0.111 62.403 62.300 -0.013 0.000 1.156 1070 V CB 0.189 32.002 31.823 -0.017 0.000 1.103 1070 V HN 0.167 nan 8.190 nan 0.000 0.453 1071 K N 1.100 121.498 120.400 -0.004 0.000 2.059 1071 K HA -0.259 4.045 4.320 -0.027 0.000 0.212 1071 K C 1.507 178.104 176.600 -0.004 0.000 1.050 1071 K CA 2.346 58.632 56.287 -0.001 0.000 0.927 1071 K CB -0.008 32.492 32.500 0.001 0.000 0.714 1071 K HN 0.398 nan 8.250 nan 0.000 0.447 1072 D N -0.314 120.082 120.400 -0.006 0.000 2.309 1072 D HA -0.102 4.522 4.640 -0.027 0.000 0.212 1072 D C 1.555 177.846 176.300 -0.014 0.000 0.968 1072 D CA 0.797 54.793 54.000 -0.006 0.000 0.882 1072 D CB 0.200 40.998 40.800 -0.003 0.000 0.918 1072 D HN 0.109 nan 8.370 nan 0.000 0.503 1073 V N -0.022 119.878 119.914 -0.023 0.000 2.725 1073 V HA 0.022 4.126 4.120 -0.027 0.000 0.247 1073 V C 1.204 177.277 176.094 -0.035 0.000 1.058 1073 V CA 0.286 62.563 62.300 -0.039 0.000 1.080 1073 V CB -0.185 31.601 31.823 -0.063 0.000 0.713 1073 V HN 0.103 nan 8.190 nan 0.000 0.465 1074 L N 2.253 123.464 121.223 -0.019 0.000 2.319 1074 L HA 0.280 4.604 4.340 -0.027 0.000 0.280 1074 L C -0.473 176.391 176.870 -0.010 0.000 1.099 1074 L CA -0.156 54.679 54.840 -0.008 0.000 0.828 1074 L CB 0.727 42.789 42.059 0.006 0.000 1.150 1074 L HN 0.118 nan 8.230 nan 0.000 0.442 1075 I N 4.829 125.389 120.570 -0.016 0.000 2.315 1075 I HA 0.325 4.479 4.170 -0.027 0.000 0.291 1075 I C -2.033 174.085 176.117 0.002 0.000 1.006 1075 I CA -2.744 58.547 61.300 -0.014 0.000 1.265 1075 I CB 0.792 38.761 38.000 -0.052 0.000 1.387 1075 I HN 0.247 nan 8.210 nan 0.000 0.475 1076 P HA 0.024 nan 4.420 nan 0.000 0.266 1076 P C 1.163 178.428 177.300 -0.058 0.000 1.195 1076 P CA 0.094 63.176 63.100 -0.031 0.000 0.768 1076 P CB 0.228 31.883 31.700 -0.074 0.000 0.838 1077 H N 3.973 123.028 119.070 -0.024 0.000 2.422 1077 H HA -0.143 4.397 4.556 -0.027 0.000 0.298 1077 H C 0.842 176.146 175.328 -0.039 0.000 1.098 1077 H CA 1.451 57.471 56.048 -0.047 0.000 1.315 1077 H CB -0.267 29.458 29.762 -0.062 0.000 1.382 1077 H HN 0.473 nan 8.280 nan 0.000 0.523 1078 E N 1.679 121.490 120.200 -0.648 0.000 2.516 1078 E HA -0.081 4.253 4.350 -0.027 0.000 0.199 1078 E C 1.302 177.813 176.600 -0.147 0.000 1.069 1078 E CA 0.139 56.323 56.400 -0.361 0.000 0.876 1078 E CB -0.275 29.188 29.700 -0.396 0.000 0.843 1078 E HN 0.513 nan 8.360 nan 0.000 0.530 1079 R N 0.818 121.261 120.500 -0.095 0.000 2.426 1079 R HA 0.259 4.583 4.340 -0.027 0.000 0.263 1079 R C -0.432 175.894 176.300 0.045 0.000 0.961 1079 R CA -0.038 56.056 56.100 -0.009 0.000 1.086 1079 R CB 0.853 31.170 30.300 0.029 0.000 1.186 1079 R HN -0.059 nan 8.270 nan 0.000 0.537 1080 V N 0.503 120.424 119.914 0.012 0.000 2.760 1080 V HA 0.356 4.460 4.120 -0.027 0.000 0.309 1080 V C -0.547 175.530 176.094 -0.029 0.000 1.077 1080 V CA -0.941 61.373 62.300 0.024 0.000 0.910 1080 V CB 2.660 34.484 31.823 0.002 0.000 1.008 1080 V HN -0.273 nan 8.190 nan 0.000 0.424 1081 V N 2.646 122.522 119.914 -0.062 0.000 2.443 1081 V HA 0.491 4.595 4.120 -0.027 0.000 0.293 1081 V C -0.030 175.889 176.094 -0.291 0.000 1.021 1081 V CA -0.278 61.934 62.300 -0.146 0.000 0.848 1081 V CB 2.170 33.919 31.823 -0.123 0.000 0.998 1081 V HN 0.980 nan 8.190 nan 0.000 0.424 1082 T N 4.316 118.711 114.554 -0.264 0.000 2.749 1082 T HA 0.390 4.723 4.350 -0.027 0.000 0.287 1082 T C -0.227 174.314 174.700 -0.265 0.000 0.970 1082 T CA -0.405 61.527 62.100 -0.281 0.000 0.980 1082 T CB 0.218 68.935 68.868 -0.251 0.000 0.924 1082 T HN 0.566 nan 8.240 nan 0.000 0.456 1083 H N 2.700 121.764 119.070 -0.010 0.000 3.008 1083 H HA 0.170 4.710 4.556 -0.027 0.000 0.268 1083 H C 1.530 176.866 175.328 0.012 0.000 1.323 1083 H CA -0.528 55.528 56.048 0.013 0.000 1.401 1083 H CB 0.404 30.211 29.762 0.075 0.000 1.556 1083 H HN 0.735 nan 8.280 nan 0.000 0.502 1084 S N 1.384 117.080 115.700 -0.007 0.000 2.474 1084 S HA -0.159 4.295 4.470 -0.027 0.000 0.235 1084 S C 1.263 175.967 174.600 0.174 0.000 0.997 1084 S CA 0.994 59.163 58.200 -0.053 0.000 0.949 1084 S CB 0.107 63.233 63.200 -0.124 0.000 0.766 1084 S HN 0.614 nan 8.310 nan 0.000 0.517 1085 D N 0.870 121.357 120.400 0.145 0.000 2.349 1085 D HA -0.042 4.582 4.640 -0.027 0.000 0.215 1085 D C 0.702 177.094 176.300 0.153 0.000 1.016 1085 D CA 0.091 54.166 54.000 0.125 0.000 0.870 1085 D CB -0.320 40.518 40.800 0.064 0.000 0.917 1085 D HN 0.421 nan 8.370 nan 0.000 0.524 1086 R N 0.936 121.579 120.500 0.239 0.000 3.057 1086 R HA 0.341 4.665 4.340 -0.027 0.000 0.291 1086 R C -0.802 175.723 176.300 0.374 0.000 1.394 1086 R CA -0.434 55.829 56.100 0.271 0.000 1.630 1086 R CB 1.542 31.986 30.300 0.239 0.000 1.268 1086 R HN -0.068 nan 8.270 nan 0.000 0.621 1087 V N 3.259 123.328 119.914 0.258 0.000 2.470 1087 V HA 0.045 4.149 4.120 -0.027 0.000 0.276 1087 V C 1.737 177.871 176.094 0.066 0.000 1.040 1087 V CA 0.272 62.634 62.300 0.103 0.000 1.008 1087 V CB 0.875 32.701 31.823 0.005 0.000 0.990 1087 V HN 0.608 nan 8.190 nan 0.000 0.477 1088 I N 3.370 123.926 120.570 -0.023 0.000 2.277 1088 I HA 0.217 4.370 4.170 -0.027 0.000 0.243 1088 I C 1.224 177.318 176.117 -0.038 0.000 1.094 1088 I CA 1.365 62.646 61.300 -0.031 0.000 1.393 1088 I CB 0.025 37.952 38.000 -0.122 0.000 1.078 1088 I HN 0.780 nan 8.210 nan 0.000 0.417 1089 G N 0.025 108.765 108.800 -0.101 0.000 2.466 1089 G HA2 0.372 4.316 3.960 -0.027 0.000 0.291 1089 G HA3 0.372 4.316 3.960 -0.027 0.000 0.291 1089 G C -1.713 173.106 174.900 -0.135 0.000 1.460 1089 G CA -0.605 44.442 45.100 -0.088 0.000 0.791 1089 G HN -0.143 nan 8.290 nan 0.000 0.505 1090 K N -0.689 119.653 120.400 -0.096 0.000 2.375 1090 K HA 0.782 5.086 4.320 -0.027 0.000 0.249 1090 K C -0.215 176.348 176.600 -0.063 0.000 0.942 1090 K CA -0.364 55.862 56.287 -0.102 0.000 0.806 1090 K CB 2.394 34.845 32.500 -0.082 0.000 1.227 1090 K HN 1.142 nan 8.250 nan 0.000 0.430 1091 G N 0.109 108.871 108.800 -0.062 0.000 2.548 1091 G HA2 0.071 4.015 3.960 -0.027 0.000 0.301 1091 G HA3 0.071 4.015 3.960 -0.027 0.000 0.301 1091 G C -0.108 174.759 174.900 -0.055 0.000 1.349 1091 G CA -0.492 44.591 45.100 -0.028 0.000 0.792 1091 G HN 0.749 nan 8.290 nan 0.000 0.481 1092 H N -0.757 118.206 119.070 -0.178 0.000 2.289 1092 H HA -0.153 4.387 4.556 -0.027 0.000 0.294 1092 H C 1.866 176.922 175.328 -0.454 0.000 1.095 1092 H CA 2.385 58.214 56.048 -0.365 0.000 1.256 1092 H CB 0.029 29.445 29.762 -0.577 0.000 1.359 1092 H HN 0.308 nan 8.280 nan 0.000 0.487 1093 F N -0.108 119.716 119.950 -0.211 0.000 2.615 1093 F HA 0.225 4.735 4.527 -0.028 0.000 0.297 1093 F C 1.563 177.205 175.800 -0.263 0.000 1.124 1093 F CA 0.900 58.722 58.000 -0.296 0.000 1.451 1093 F CB 0.549 39.396 39.000 -0.254 0.000 1.103 1093 F HN 0.344 nan 8.300 nan 0.000 0.569 1094 G N -0.916 107.842 108.800 -0.069 0.000 2.324 1094 G HA2 0.371 4.315 3.960 -0.027 0.000 0.293 1094 G HA3 0.371 4.315 3.960 -0.027 0.000 0.293 1094 G C -2.022 172.802 174.900 -0.127 0.000 1.297 1094 G CA -0.926 44.108 45.100 -0.111 0.000 0.853 1094 G HN -0.189 nan 8.290 nan 0.000 0.535 1095 V N 0.067 119.882 119.914 -0.165 0.000 2.472 1095 V HA 0.669 4.772 4.120 -0.027 0.000 0.290 1095 V C 0.332 176.196 176.094 -0.383 0.000 1.037 1095 V CA -0.657 61.457 62.300 -0.310 0.000 0.908 1095 V CB 1.308 32.866 31.823 -0.441 0.000 0.985 1095 V HN 1.347 nan 8.190 nan 0.000 0.454 1096 V N 6.197 125.876 119.914 -0.391 0.000 2.384 1096 V HA 0.633 4.737 4.120 -0.027 0.000 0.287 1096 V C -1.153 174.741 176.094 -0.333 0.000 1.020 1096 V CA -0.190 61.957 62.300 -0.255 0.000 0.850 1096 V CB 0.931 32.684 31.823 -0.118 0.000 0.987 1096 V HN 0.705 nan 8.190 nan 0.000 0.436 1097 Y N 4.656 124.963 120.300 0.012 0.000 2.534 1097 Y HA 0.586 5.120 4.550 -0.027 0.000 0.329 1097 Y C 0.943 176.845 175.900 0.004 0.000 1.154 1097 Y CA -0.916 57.208 58.100 0.039 0.000 1.192 1097 Y CB 0.823 39.335 38.460 0.086 0.000 1.275 1097 Y HN 0.591 nan 8.280 nan 0.000 0.491 1098 H N 0.266 119.492 119.070 0.260 0.000 2.790 1098 H HA 0.405 4.945 4.556 -0.027 0.000 0.358 1098 H C 0.222 175.643 175.328 0.155 0.000 1.103 1098 H CA 0.809 56.968 56.048 0.186 0.000 1.426 1098 H CB 0.881 30.743 29.762 0.168 0.000 1.424 1098 H HN 0.914 nan 8.280 nan 0.000 0.599 1099 G N 0.673 109.582 108.800 0.182 0.000 2.721 1099 G HA2 0.411 4.354 3.960 -0.027 0.000 0.296 1099 G HA3 0.411 4.354 3.960 -0.027 0.000 0.296 1099 G C -1.405 173.485 174.900 -0.018 0.000 1.383 1099 G CA -0.589 44.462 45.100 -0.082 0.000 0.788 1099 G HN 0.547 nan 8.290 nan 0.000 0.500 1100 E N -1.366 118.797 120.200 -0.063 0.000 2.372 1100 E HA 0.576 4.910 4.350 -0.027 0.000 0.279 1100 E C -1.931 174.742 176.600 0.123 0.000 0.946 1100 E CA -0.869 55.561 56.400 0.050 0.000 0.769 1100 E CB 2.498 32.216 29.700 0.030 0.000 1.230 1100 E HN 0.708 nan 8.360 nan 0.000 0.442 1101 Y N 1.065 121.353 120.300 -0.021 0.000 2.615 1101 Y HA 0.644 5.178 4.550 -0.026 0.000 0.341 1101 Y C -1.592 174.300 175.900 -0.013 0.000 1.089 1101 Y CA -1.183 56.904 58.100 -0.022 0.000 1.049 1101 Y CB 0.833 39.284 38.460 -0.015 0.000 1.296 1101 Y HN 0.367 nan 8.280 nan 0.000 0.470 1102 I N 3.461 123.995 120.570 -0.061 0.000 2.353 1102 I HA 0.210 4.364 4.170 -0.027 0.000 0.293 1102 I C -0.282 175.767 176.117 -0.113 0.000 0.992 1102 I CA -0.477 60.736 61.300 -0.146 0.000 1.268 1102 I CB 0.765 38.738 38.000 -0.045 0.000 1.387 1102 I HN 0.614 nan 8.210 nan 0.000 0.478 1103 D N 4.290 124.568 120.400 -0.204 0.000 2.352 1103 D HA 0.001 4.625 4.640 -0.027 0.000 0.238 1103 D C 1.042 177.349 176.300 0.013 0.000 1.286 1103 D CA -0.046 53.911 54.000 -0.072 0.000 0.923 1103 D CB 0.706 41.449 40.800 -0.096 0.000 1.146 1103 D HN 0.465 nan 8.370 nan 0.000 0.471 1104 Q N 0.304 120.129 119.800 0.042 0.000 2.046 1104 Q HA -0.076 4.248 4.340 -0.027 0.000 0.200 1104 Q C 1.645 177.648 176.000 0.006 0.000 0.975 1104 Q CA 1.135 56.955 55.803 0.028 0.000 0.836 1104 Q CB -0.324 28.435 28.738 0.035 0.000 0.896 1104 Q HN 0.516 nan 8.270 nan 0.000 0.428 1105 A N 0.338 123.157 122.820 -0.001 0.000 2.248 1105 A HA -0.144 4.160 4.320 -0.027 0.000 0.210 1105 A C 1.094 178.663 177.584 -0.025 0.000 1.174 1105 A CA 1.126 53.156 52.037 -0.012 0.000 0.750 1105 A CB -0.328 18.665 19.000 -0.012 0.000 0.780 1105 A HN 0.534 nan 8.150 nan 0.000 0.478 1106 Q N -2.361 117.420 119.800 -0.033 0.000 2.360 1106 Q HA -0.164 4.160 4.340 -0.027 0.000 0.192 1106 Q C -0.605 175.359 176.000 -0.059 0.000 0.615 1106 Q CA 0.790 56.569 55.803 -0.040 0.000 1.355 1106 Q CB -1.364 27.358 28.738 -0.027 0.000 1.324 1106 Q HN 0.793 nan 8.270 nan 0.000 0.885 1107 N N 1.414 120.068 118.700 -0.077 0.000 2.483 1107 N HA 0.200 4.924 4.740 -0.027 0.000 0.269 1107 N C -0.253 175.167 175.510 -0.151 0.000 1.209 1107 N CA 0.130 53.123 53.050 -0.094 0.000 0.969 1107 N CB 0.424 38.859 38.487 -0.086 0.000 1.173 1107 N HN 0.243 nan 8.380 nan 0.000 0.475 1108 R N 0.734 121.153 120.500 -0.136 0.000 2.255 1108 R HA 0.501 4.825 4.340 -0.027 0.000 0.326 1108 R C -0.635 175.550 176.300 -0.191 0.000 0.986 1108 R CA -0.571 55.425 56.100 -0.173 0.000 0.847 1108 R CB 0.702 30.944 30.300 -0.097 0.000 1.111 1108 R HN 0.367 nan 8.270 nan 0.000 0.452 1109 I N 2.816 123.190 120.570 -0.325 0.000 2.404 1109 I HA 0.232 4.386 4.170 -0.027 0.000 0.293 1109 I C -0.058 176.008 176.117 -0.085 0.000 0.992 1109 I CA -1.189 59.965 61.300 -0.244 0.000 1.149 1109 I CB 1.651 39.404 38.000 -0.411 0.000 1.315 1109 I HN 0.524 nan 8.210 nan 0.000 0.446 1110 Q N 4.365 124.174 119.800 0.014 0.000 2.259 1110 Q HA 0.603 4.927 4.340 -0.027 0.000 0.246 1110 Q C -0.106 175.982 176.000 0.147 0.000 0.920 1110 Q CA -0.044 55.806 55.803 0.078 0.000 0.895 1110 Q CB 1.684 30.446 28.738 0.040 0.000 1.220 1110 Q HN 0.883 nan 8.270 nan 0.000 0.439 1111 C N -1.526 117.879 119.300 0.174 0.000 3.266 1111 C HA 0.958 5.402 4.460 -0.027 0.000 0.369 1111 C C -1.032 174.072 174.990 0.189 0.000 1.580 1111 C CA -0.939 58.209 59.018 0.217 0.000 1.165 1111 C CB 0.666 28.553 27.740 0.245 0.000 1.835 1111 C HN 0.879 nan 8.230 nan 0.000 0.433 1112 A N 0.322 123.255 122.820 0.189 0.000 2.320 1112 A HA 0.915 5.218 4.320 -0.027 0.000 0.334 1112 A C -0.819 176.825 177.584 0.099 0.000 1.147 1112 A CA -0.647 51.471 52.037 0.134 0.000 0.820 1112 A CB 0.466 19.542 19.000 0.127 0.000 1.218 1112 A HN 0.964 nan 8.150 nan 0.000 0.482 1113 I N 1.077 121.719 120.570 0.119 0.000 2.512 1113 I HA 0.345 4.499 4.170 -0.027 0.000 0.287 1113 I C -0.411 175.813 176.117 0.178 0.000 1.069 1113 I CA -0.447 60.945 61.300 0.152 0.000 1.056 1113 I CB 2.156 40.267 38.000 0.185 0.000 1.229 1113 I HN 0.686 nan 8.210 nan 0.000 0.429 1114 K N 4.840 125.296 120.400 0.093 0.000 2.339 1114 K HA 0.377 4.681 4.320 -0.027 0.000 0.264 1114 K C -0.030 176.509 176.600 -0.102 0.000 0.986 1114 K CA -0.360 55.926 56.287 -0.001 0.000 0.866 1114 K CB 1.353 33.822 32.500 -0.052 0.000 1.103 1114 K HN 0.716 nan 8.250 nan 0.000 0.441 1115 S N 4.893 120.493 115.700 -0.167 0.000 2.481 1115 S HA 0.180 4.634 4.470 -0.027 0.000 0.276 1115 S C -0.032 174.385 174.600 -0.304 0.000 1.247 1115 S CA -0.756 57.136 58.200 -0.513 0.000 1.053 1115 S CB 0.351 63.353 63.200 -0.329 0.000 0.925 1115 S HN 0.446 nan 8.310 nan 0.000 0.491 1116 L N 5.202 126.229 121.223 -0.326 0.000 2.334 1116 L HA 0.289 4.613 4.340 -0.027 0.000 0.286 1116 L C 1.560 178.305 176.870 -0.208 0.000 1.108 1116 L CA 0.279 54.959 54.840 -0.267 0.000 0.875 1116 L CB 0.197 42.025 42.059 -0.386 0.000 1.246 1116 L HN 1.028 nan 8.230 nan 0.000 0.439 1117 S N 2.136 117.738 115.700 -0.163 0.000 2.562 1117 S HA 0.062 4.516 4.470 -0.027 0.000 0.221 1117 S C 1.275 175.791 174.600 -0.139 0.000 0.975 1117 S CA 0.128 58.243 58.200 -0.142 0.000 0.918 1117 S CB 0.039 63.153 63.200 -0.143 0.000 0.772 1117 S HN 0.519 nan 8.310 nan 0.000 0.531 1118 R N 0.883 121.305 120.500 -0.130 0.000 2.466 1118 R HA 0.435 4.759 4.340 -0.027 0.000 0.279 1118 R C -0.348 175.899 176.300 -0.088 0.000 0.976 1118 R CA 0.019 56.060 56.100 -0.099 0.000 1.081 1118 R CB -0.144 30.148 30.300 -0.013 0.000 1.215 1118 R HN 0.506 nan 8.270 nan 0.000 0.546 1119 I N 0.889 121.389 120.570 -0.116 0.000 2.557 1119 I HA 0.142 4.296 4.170 -0.027 0.000 0.277 1119 I C 0.654 176.735 176.117 -0.061 0.000 1.106 1119 I CA -0.154 61.085 61.300 -0.101 0.000 1.180 1119 I CB 1.529 39.430 38.000 -0.166 0.000 1.392 1119 I HN -0.141 nan 8.210 nan 0.000 0.506 1120 T N 1.284 115.813 114.554 -0.041 0.000 2.837 1120 T HA 0.047 4.381 4.350 -0.027 0.000 0.248 1120 T C 0.882 175.575 174.700 -0.011 0.000 1.033 1120 T CA 0.370 62.455 62.100 -0.026 0.000 1.150 1120 T CB 0.042 68.896 68.868 -0.023 0.000 0.865 1120 T HN 0.452 nan 8.240 nan 0.000 0.425 1121 E N 0.815 121.013 120.200 -0.005 0.000 2.436 1121 E HA 0.011 4.345 4.350 -0.027 0.000 0.262 1121 E C 0.730 177.337 176.600 0.012 0.000 1.063 1121 E CA -0.215 56.188 56.400 0.005 0.000 0.944 1121 E CB 0.457 30.163 29.700 0.011 0.000 0.950 1121 E HN 0.079 nan 8.360 nan 0.000 0.444 1122 M N 2.177 121.786 119.600 0.015 0.000 2.349 1122 M HA -0.110 4.354 4.480 -0.027 0.000 0.266 1122 M C 1.707 178.024 176.300 0.029 0.000 1.076 1122 M CA 1.551 56.864 55.300 0.022 0.000 1.126 1122 M CB 0.052 32.663 32.600 0.018 0.000 1.392 1122 M HN 0.446 nan 8.290 nan 0.000 0.440 1123 Q N -0.682 119.134 119.800 0.026 0.000 2.124 1123 Q HA -0.228 4.096 4.340 -0.027 0.000 0.202 1123 Q C 2.019 178.044 176.000 0.042 0.000 0.977 1123 Q CA 1.587 57.409 55.803 0.031 0.000 0.850 1123 Q CB -0.262 28.492 28.738 0.026 0.000 0.901 1123 Q HN 0.638 nan 8.270 nan 0.000 0.429 1124 Q N -0.140 119.683 119.800 0.039 0.000 2.167 1124 Q HA -0.098 4.226 4.340 -0.027 0.000 0.202 1124 Q C 2.209 178.255 176.000 0.078 0.000 0.970 1124 Q CA 1.065 56.896 55.803 0.047 0.000 0.855 1124 Q CB 0.129 28.878 28.738 0.018 0.000 0.911 1124 Q HN 0.182 nan 8.270 nan 0.000 0.438 1125 V N 1.914 121.869 119.914 0.068 0.000 2.307 1125 V HA -0.273 3.831 4.120 -0.027 0.000 0.245 1125 V C 2.257 178.431 176.094 0.134 0.000 1.045 1125 V CA 2.272 64.635 62.300 0.104 0.000 1.024 1125 V CB -0.666 31.199 31.823 0.070 0.000 0.651 1125 V HN 0.524 nan 8.190 nan 0.000 0.449 1126 E N 1.170 121.420 120.200 0.083 0.000 2.152 1126 E HA -0.117 4.216 4.350 -0.027 0.000 0.192 1126 E C 2.125 178.760 176.600 0.059 0.000 0.983 1126 E CA 1.229 57.666 56.400 0.062 0.000 0.818 1126 E CB -0.408 29.316 29.700 0.039 0.000 0.758 1126 E HN 0.472 nan 8.360 nan 0.000 0.467 1127 A N 1.223 124.088 122.820 0.074 0.000 1.902 1127 A HA -0.150 4.154 4.320 -0.027 0.000 0.217 1127 A C 2.001 179.643 177.584 0.096 0.000 1.181 1127 A CA 1.351 53.430 52.037 0.070 0.000 0.623 1127 A CB -0.867 18.178 19.000 0.074 0.000 0.818 1127 A HN 0.439 nan 8.150 nan 0.000 0.443 1128 F N 0.517 120.462 119.950 -0.008 0.000 2.186 1128 F HA -0.034 4.476 4.527 -0.028 0.000 0.299 1128 F C 1.859 177.658 175.800 -0.001 0.000 1.090 1128 F CA 1.166 59.158 58.000 -0.013 0.000 1.307 1128 F CB -0.271 38.712 39.000 -0.029 0.000 1.019 1128 F HN 0.123 nan 8.300 nan 0.000 0.489 1129 L N -0.086 121.107 121.223 -0.050 0.000 2.079 1129 L HA -0.221 4.103 4.340 -0.027 0.000 0.210 1129 L C 2.614 179.389 176.870 -0.158 0.000 1.081 1129 L CA 1.453 56.215 54.840 -0.130 0.000 0.752 1129 L CB -0.610 41.447 42.059 -0.004 0.000 0.896 1129 L HN 0.085 nan 8.230 nan 0.000 0.433 1130 R N -0.716 119.728 120.500 -0.094 0.000 2.093 1130 R HA -0.080 4.243 4.340 -0.027 0.000 0.224 1130 R C 2.188 178.441 176.300 -0.079 0.000 1.101 1130 R CA 0.550 56.610 56.100 -0.067 0.000 0.979 1130 R CB -0.096 30.186 30.300 -0.031 0.000 0.877 1130 R HN 0.288 nan 8.270 nan 0.000 0.441 1131 E N 0.357 120.493 120.200 -0.107 0.000 2.051 1131 E HA -0.106 4.227 4.350 -0.027 0.000 0.192 1131 E C 2.085 178.634 176.600 -0.086 0.000 0.991 1131 E CA 1.427 57.788 56.400 -0.065 0.000 0.799 1131 E CB -0.387 29.293 29.700 -0.033 0.000 0.748 1131 E HN 0.436 nan 8.360 nan 0.000 0.449 1132 G N 1.514 110.096 108.800 -0.363 0.000 2.475 1132 G HA2 -0.248 3.696 3.960 -0.027 0.000 0.220 1132 G HA3 -0.248 3.696 3.960 -0.027 0.000 0.220 1132 G C 1.661 176.466 174.900 -0.160 0.000 1.125 1132 G CA 0.490 45.361 45.100 -0.381 0.000 0.755 1132 G HN 0.220 nan 8.290 nan 0.000 0.565 1133 L N -0.050 121.106 121.223 -0.111 0.000 2.056 1133 L HA 0.049 4.373 4.340 -0.027 0.000 0.207 1133 L C 2.844 179.719 176.870 0.008 0.000 1.078 1133 L CA 0.916 55.729 54.840 -0.045 0.000 0.749 1133 L CB -0.166 41.872 42.059 -0.036 0.000 0.901 1133 L HN 0.242 nan 8.230 nan 0.000 0.433 1134 L N -1.102 120.157 121.223 0.060 0.000 2.093 1134 L HA -0.244 4.080 4.340 -0.027 0.000 0.208 1134 L C 2.608 179.568 176.870 0.151 0.000 1.085 1134 L CA 1.176 56.110 54.840 0.157 0.000 0.755 1134 L CB -0.438 41.779 42.059 0.264 0.000 0.904 1134 L HN 0.321 nan 8.230 nan 0.000 0.435 1135 M N -0.480 119.193 119.600 0.122 0.000 2.229 1135 M HA -0.168 4.296 4.480 -0.027 0.000 0.264 1135 M C 2.360 178.645 176.300 -0.026 0.000 1.063 1135 M CA 1.274 56.553 55.300 -0.036 0.000 1.114 1135 M CB -0.276 32.338 32.600 0.023 0.000 1.387 1135 M HN 0.084 nan 8.290 nan 0.000 0.420 1136 R N 0.948 121.439 120.500 -0.015 0.000 2.127 1136 R HA -0.096 4.228 4.340 -0.027 0.000 0.238 1136 R C 1.876 178.178 176.300 0.004 0.000 1.134 1136 R CA 1.894 57.986 56.100 -0.013 0.000 0.975 1136 R CB -1.140 29.146 30.300 -0.023 0.000 0.865 1136 R HN 0.370 nan 8.270 nan 0.000 0.447 1137 G N -0.231 108.578 108.800 0.015 0.000 2.650 1137 G HA2 0.037 3.981 3.960 -0.027 0.000 0.214 1137 G HA3 0.037 3.981 3.960 -0.027 0.000 0.214 1137 G C 0.203 175.136 174.900 0.054 0.000 1.136 1137 G CA -0.079 45.041 45.100 0.033 0.000 0.789 1137 G HN 0.235 nan 8.290 nan 0.000 0.536 1138 L N 1.366 122.607 121.223 0.030 0.000 2.418 1138 L HA 0.257 4.581 4.340 -0.027 0.000 0.274 1138 L C -0.207 176.711 176.870 0.080 0.000 1.135 1138 L CA -0.443 54.461 54.840 0.107 0.000 0.870 1138 L CB 0.729 42.767 42.059 -0.036 0.000 1.154 1138 L HN -0.007 nan 8.230 nan 0.000 0.462 1139 N N 2.819 121.564 118.700 0.074 0.000 2.609 1139 N HA 0.294 5.018 4.740 -0.027 0.000 0.268 1139 N C -1.358 173.918 175.510 -0.390 0.000 1.106 1139 N CA -0.372 52.618 53.050 -0.101 0.000 0.823 1139 N CB 0.567 39.034 38.487 -0.032 0.000 1.263 1139 N HN 0.493 nan 8.380 nan 0.000 0.533 1140 H N 2.994 121.743 119.070 -0.535 0.000 3.029 1140 H HA 0.335 4.875 4.556 -0.026 0.000 0.358 1140 H C -2.210 172.941 175.328 -0.294 0.000 1.129 1140 H CA -1.378 54.306 56.048 -0.606 0.000 1.230 1140 H CB 2.357 31.464 29.762 -1.091 0.000 1.827 1140 H HN 0.283 nan 8.280 nan 0.000 0.530 1141 P HA -0.090 nan 4.420 nan 0.000 0.217 1141 P C 0.406 177.762 177.300 0.092 0.000 1.148 1141 P CA 1.133 64.189 63.100 -0.072 0.000 0.828 1141 P CB 0.425 32.034 31.700 -0.152 0.000 0.783 1142 N N -0.858 118.029 118.700 0.312 0.000 2.321 1142 N HA 0.125 4.849 4.740 -0.027 0.000 0.242 1142 N C -0.579 174.953 175.510 0.036 0.000 1.141 1142 N CA 0.129 53.264 53.050 0.141 0.000 0.864 1142 N CB 1.092 39.646 38.487 0.111 0.000 1.100 1142 N HN 0.032 nan 8.380 nan 0.000 0.510 1143 V N 1.436 121.371 119.914 0.036 0.000 2.656 1143 V HA 0.291 4.395 4.120 -0.027 0.000 0.307 1143 V C -0.104 176.043 176.094 0.087 0.000 1.051 1143 V CA -1.039 61.273 62.300 0.020 0.000 0.893 1143 V CB 2.665 34.429 31.823 -0.099 0.000 0.999 1143 V HN 0.025 nan 8.190 nan 0.000 0.426 1144 L N 4.461 125.790 121.223 0.177 0.000 2.410 1144 L HA 0.593 4.917 4.340 -0.027 0.000 0.273 1144 L C 0.745 177.695 176.870 0.133 0.000 1.152 1144 L CA 0.586 55.499 54.840 0.123 0.000 0.855 1144 L CB 0.693 42.800 42.059 0.080 0.000 1.129 1144 L HN 0.862 nan 8.230 nan 0.000 0.463 1145 A N 5.108 127.967 122.820 0.064 0.000 2.407 1145 A HA 0.385 4.689 4.320 -0.027 0.000 0.248 1145 A C -0.543 177.055 177.584 0.024 0.000 1.082 1145 A CA -0.462 51.603 52.037 0.048 0.000 0.785 1145 A CB 0.183 19.198 19.000 0.026 0.000 1.020 1145 A HN 0.731 nan 8.150 nan 0.000 0.489 1146 L N 3.474 124.706 121.223 0.015 0.000 2.260 1146 L HA 0.352 4.676 4.340 -0.027 0.000 0.289 1146 L C 0.791 177.636 176.870 -0.042 0.000 1.057 1146 L CA 0.060 54.884 54.840 -0.027 0.000 0.811 1146 L CB 0.270 42.308 42.059 -0.034 0.000 1.184 1146 L HN 0.755 nan 8.230 nan 0.000 0.429 1147 I N 3.741 124.266 120.570 -0.075 0.000 2.163 1147 I HA 0.136 4.290 4.170 -0.027 0.000 0.240 1147 I C 1.275 177.303 176.117 -0.147 0.000 1.081 1147 I CA 1.162 62.383 61.300 -0.132 0.000 1.353 1147 I CB -0.391 37.444 38.000 -0.275 0.000 1.054 1147 I HN 0.793 nan 8.210 nan 0.000 0.407 1148 G N 0.361 109.076 108.800 -0.141 0.000 2.321 1148 G HA2 0.402 4.346 3.960 -0.027 0.000 0.296 1148 G HA3 0.402 4.346 3.960 -0.027 0.000 0.296 1148 G C -1.615 173.247 174.900 -0.062 0.000 1.287 1148 G CA -0.565 44.474 45.100 -0.101 0.000 0.846 1148 G HN 0.158 nan 8.290 nan 0.000 0.508 1149 I N -2.425 118.129 120.570 -0.027 0.000 2.545 1149 I HA 0.824 4.978 4.170 -0.027 0.000 0.292 1149 I C -0.695 175.451 176.117 0.049 0.000 1.040 1149 I CA -1.210 60.117 61.300 0.044 0.000 1.068 1149 I CB 2.233 40.293 38.000 0.100 0.000 1.251 1149 I HN 0.629 nan 8.210 nan 0.000 0.424 1150 M N 7.074 126.724 119.600 0.085 0.000 2.311 1150 M HA 0.531 4.995 4.480 -0.027 0.000 0.325 1150 M C -2.055 174.306 176.300 0.102 0.000 1.061 1150 M CA -0.691 54.651 55.300 0.069 0.000 0.957 1150 M CB 2.082 34.698 32.600 0.027 0.000 1.646 1150 M HN 0.726 nan 8.290 nan 0.000 0.434 1151 L N 7.595 128.869 121.223 0.085 0.000 2.295 1151 L HA 0.487 4.811 4.340 -0.027 0.000 0.281 1151 L C -2.126 174.760 176.870 0.027 0.000 1.018 1151 L CA -1.716 53.168 54.840 0.074 0.000 0.841 1151 L CB 1.129 43.229 42.059 0.069 0.000 1.218 1151 L HN 0.472 nan 8.230 nan 0.000 0.424 1152 P HA 0.257 nan 4.420 nan 0.000 0.278 1152 P C -2.270 174.918 177.300 -0.188 0.000 1.238 1152 P CA -1.676 61.310 63.100 -0.189 0.000 0.794 1152 P CB 0.752 32.335 31.700 -0.194 0.000 0.955 1153 P HA -0.103 nan 4.420 nan 0.000 0.216 1153 P C -0.119 177.122 177.300 -0.099 0.000 1.150 1153 P CA 1.650 64.639 63.100 -0.185 0.000 0.843 1153 P CB 0.238 31.803 31.700 -0.226 0.000 0.787 1154 E N -1.164 118.977 120.200 -0.098 0.000 2.241 1154 E HA 0.580 4.914 4.350 -0.027 0.000 0.263 1154 E C -0.043 176.536 176.600 -0.035 0.000 0.882 1154 E CA -0.539 55.830 56.400 -0.052 0.000 0.769 1154 E CB 1.837 31.511 29.700 -0.044 0.000 1.185 1154 E HN 0.068 nan 8.360 nan 0.000 0.415 1155 G N 1.630 110.426 108.800 -0.006 0.000 2.350 1155 G HA2 0.044 3.988 3.960 -0.027 0.000 0.282 1155 G HA3 0.044 3.988 3.960 -0.027 0.000 0.282 1155 G C -1.473 173.456 174.900 0.050 0.000 1.314 1155 G CA -1.176 43.941 45.100 0.028 0.000 0.915 1155 G HN 0.332 nan 8.290 nan 0.000 0.499 1156 L N 1.411 122.683 121.223 0.081 0.000 2.395 1156 L HA 0.417 4.741 4.340 -0.027 0.000 0.269 1156 L C -1.923 175.010 176.870 0.105 0.000 1.133 1156 L CA -1.668 53.187 54.840 0.024 0.000 0.812 1156 L CB 1.038 43.050 42.059 -0.079 0.000 1.125 1156 L HN 0.254 nan 8.230 nan 0.000 0.452 1157 P HA 0.074 nan 4.420 nan 0.000 0.266 1157 P C -1.236 176.096 177.300 0.052 0.000 1.195 1157 P CA 0.178 63.345 63.100 0.111 0.000 0.768 1157 P CB 0.382 32.121 31.700 0.066 0.000 0.838 1158 H N -0.220 118.870 119.070 0.034 0.000 2.524 1158 H HA 0.508 5.048 4.556 -0.027 0.000 0.353 1158 H C -0.589 174.770 175.328 0.052 0.000 1.136 1158 H CA -0.763 55.305 56.048 0.033 0.000 1.193 1158 H CB 1.183 30.960 29.762 0.026 0.000 1.558 1158 H HN 0.015 nan 8.280 nan 0.000 0.515 1159 V N 4.274 124.260 119.914 0.120 0.000 2.384 1159 V HA 0.214 4.318 4.120 -0.027 0.000 0.287 1159 V C -0.620 175.499 176.094 0.042 0.000 1.020 1159 V CA -0.727 61.624 62.300 0.086 0.000 0.850 1159 V CB 1.153 33.022 31.823 0.076 0.000 0.987 1159 V HN 0.447 nan 8.190 nan 0.000 0.436 1160 L N 6.925 128.143 121.223 -0.009 0.000 2.275 1160 L HA 0.596 4.920 4.340 -0.027 0.000 0.288 1160 L C -0.331 176.503 176.870 -0.059 0.000 1.046 1160 L CA 0.385 55.192 54.840 -0.055 0.000 0.805 1160 L CB 1.131 43.075 42.059 -0.192 0.000 1.193 1160 L HN 0.439 nan 8.230 nan 0.000 0.426 1161 L N 4.458 125.672 121.223 -0.015 0.000 2.370 1161 L HA 0.627 4.950 4.340 -0.027 0.000 0.266 1161 L C -2.358 174.541 176.870 0.049 0.000 1.002 1161 L CA -2.030 52.808 54.840 -0.003 0.000 0.818 1161 L CB 1.943 43.992 42.059 -0.016 0.000 1.325 1161 L HN 0.338 nan 8.230 nan 0.000 0.418 1162 P HA -0.048 nan 4.420 nan 0.000 0.268 1162 P C -1.120 176.248 177.300 0.114 0.000 1.204 1162 P CA -0.002 63.158 63.100 0.099 0.000 0.768 1162 P CB 0.156 31.897 31.700 0.068 0.000 0.842 1163 Y N 4.003 124.327 120.300 0.041 0.000 2.526 1163 Y HA 0.134 4.668 4.550 -0.027 0.000 0.330 1163 Y C 0.128 176.036 175.900 0.013 0.000 1.156 1163 Y CA 0.481 58.597 58.100 0.026 0.000 1.419 1163 Y CB 0.244 38.738 38.460 0.058 0.000 1.250 1163 Y HN 0.244 nan 8.280 nan 0.000 0.540 1164 M N 7.617 126.864 119.600 -0.588 0.000 2.072 1164 M HA 0.149 4.613 4.480 -0.027 0.000 0.331 1164 M C 0.537 176.421 176.300 -0.694 0.000 1.004 1164 M CA -0.519 54.519 55.300 -0.436 0.000 0.952 1164 M CB 0.533 32.982 32.600 -0.252 0.000 1.511 1164 M HN 0.949 nan 8.290 nan 0.000 0.422 1165 C N 1.067 120.097 119.300 -0.449 0.000 2.562 1165 C HA 0.145 4.589 4.460 -0.027 0.000 0.266 1165 C C 1.329 176.064 174.990 -0.425 0.000 1.382 1165 C CA 0.119 58.907 59.018 -0.383 0.000 1.742 1165 C CB -1.006 26.630 27.740 -0.173 0.000 1.812 1165 C HN 0.722 nan 8.230 nan 0.000 0.559 1166 H N 0.826 119.801 119.070 -0.158 0.000 2.592 1166 H HA 0.341 4.881 4.556 -0.027 0.000 0.279 1166 H C 1.713 177.049 175.328 0.014 0.000 1.089 1166 H CA 0.962 56.985 56.048 -0.041 0.000 1.150 1166 H CB 0.234 29.931 29.762 -0.107 0.000 1.575 1166 H HN 0.707 nan 8.280 nan 0.000 0.547 1167 G N 2.150 110.941 108.800 -0.015 0.000 2.562 1167 G HA2 -0.251 3.693 3.960 -0.027 0.000 0.250 1167 G HA3 -0.251 3.693 3.960 -0.027 0.000 0.250 1167 G C -0.250 174.656 174.900 0.009 0.000 1.269 1167 G CA 0.011 45.105 45.100 -0.010 0.000 0.919 1167 G HN 0.462 nan 8.290 nan 0.000 0.574 1168 D N -0.234 120.185 120.400 0.031 0.000 2.277 1168 D HA 0.398 5.022 4.640 -0.027 0.000 0.250 1168 D C 1.695 178.020 176.300 0.043 0.000 1.032 1168 D CA -0.594 53.417 54.000 0.019 0.000 0.947 1168 D CB 1.750 42.560 40.800 0.018 0.000 1.159 1168 D HN 0.419 nan 8.370 nan 0.000 0.460 1169 L N 0.238 121.454 121.223 -0.012 0.000 2.131 1169 L HA -0.181 4.143 4.340 -0.027 0.000 0.210 1169 L C 2.288 179.192 176.870 0.056 0.000 1.092 1169 L CA 0.728 55.531 54.840 -0.063 0.000 0.759 1169 L CB -0.214 41.777 42.059 -0.114 0.000 0.903 1169 L HN 0.404 nan 8.230 nan 0.000 0.435 1170 L N -0.352 120.918 121.223 0.078 0.000 1.961 1170 L HA -0.250 4.074 4.340 -0.027 0.000 0.210 1170 L C 2.569 179.508 176.870 0.114 0.000 1.072 1170 L CA 1.815 56.718 54.840 0.106 0.000 0.749 1170 L CB -0.785 41.333 42.059 0.098 0.000 0.889 1170 L HN 0.224 nan 8.230 nan 0.000 0.432 1171 Q N -0.942 118.921 119.800 0.104 0.000 2.181 1171 Q HA -0.245 4.079 4.340 -0.027 0.000 0.205 1171 Q C 2.200 178.275 176.000 0.125 0.000 0.980 1171 Q CA 1.933 57.795 55.803 0.098 0.000 0.862 1171 Q CB -0.840 27.948 28.738 0.083 0.000 0.905 1171 Q HN 0.588 nan 8.270 nan 0.000 0.429 1172 F N 1.764 121.724 119.950 0.016 0.000 2.069 1172 F HA -0.211 4.300 4.527 -0.027 0.000 0.298 1172 F C 2.163 177.977 175.800 0.023 0.000 1.113 1172 F CA 1.710 59.721 58.000 0.020 0.000 1.214 1172 F CB -0.292 38.684 39.000 -0.038 0.000 0.978 1172 F HN 0.133 nan 8.300 nan 0.000 0.474 1173 I N -1.365 119.378 120.570 0.290 0.000 2.493 1173 I HA -0.133 4.020 4.170 -0.027 0.000 0.254 1173 I C 2.100 178.264 176.117 0.079 0.000 1.160 1173 I CA 1.240 62.660 61.300 0.201 0.000 1.445 1173 I CB -0.682 37.439 38.000 0.201 0.000 1.086 1173 I HN 0.068 nan 8.210 nan 0.000 0.433 1174 R N 1.332 121.870 120.500 0.063 0.000 2.276 1174 R HA 0.106 4.430 4.340 -0.027 0.000 0.203 1174 R C 1.181 177.482 176.300 0.001 0.000 1.017 1174 R CA 0.273 56.394 56.100 0.035 0.000 1.010 1174 R CB -0.069 30.259 30.300 0.048 0.000 0.900 1174 R HN 0.342 nan 8.270 nan 0.000 0.469 1175 S N 2.003 117.680 115.700 -0.039 0.000 2.509 1175 S HA 0.071 4.525 4.470 -0.027 0.000 0.287 1175 S C -1.423 173.137 174.600 -0.068 0.000 1.248 1175 S CA -1.462 56.695 58.200 -0.071 0.000 1.089 1175 S CB 0.877 63.985 63.200 -0.153 0.000 0.900 1175 S HN 0.063 nan 8.310 nan 0.000 0.496 1176 P HA -0.039 nan 4.420 nan 0.000 0.226 1176 P C 0.812 178.081 177.300 -0.051 0.000 1.153 1176 P CA 0.593 63.670 63.100 -0.038 0.000 0.777 1176 P CB 0.167 31.853 31.700 -0.024 0.000 0.794 1177 Q N -0.405 119.360 119.800 -0.060 0.000 2.500 1177 Q HA 0.008 4.332 4.340 -0.027 0.000 0.213 1177 Q C 0.745 176.694 176.000 -0.085 0.000 0.974 1177 Q CA 0.888 56.654 55.803 -0.062 0.000 0.918 1177 Q CB -0.403 28.304 28.738 -0.052 0.000 0.980 1177 Q HN 0.276 nan 8.270 nan 0.000 0.505 1178 R N -0.057 120.376 120.500 -0.110 0.000 2.778 1178 R HA 0.418 4.742 4.340 -0.027 0.000 0.277 1178 R C -0.719 175.550 176.300 -0.053 0.000 0.977 1178 R CA -0.476 55.550 56.100 -0.125 0.000 0.950 1178 R CB 1.214 31.352 30.300 -0.270 0.000 1.165 1178 R HN -0.034 nan 8.270 nan 0.000 0.474 1179 N N 2.647 121.348 118.700 0.002 0.000 2.791 1179 N HA 0.226 4.949 4.740 -0.027 0.000 0.265 1179 N C -2.679 172.952 175.510 0.202 0.000 1.580 1179 N CA -1.201 51.897 53.050 0.080 0.000 0.809 1179 N CB 1.683 40.176 38.487 0.010 0.000 1.178 1179 N HN 0.279 nan 8.380 nan 0.000 0.499 1180 P HA 0.090 nan 4.420 nan 0.000 0.276 1180 P C 0.518 177.886 177.300 0.113 0.000 1.230 1180 P CA 0.013 63.209 63.100 0.161 0.000 0.776 1180 P CB 0.666 32.493 31.700 0.212 0.000 0.888 1181 T N -1.336 113.214 114.554 -0.007 0.000 2.847 1181 T HA 0.186 4.519 4.350 -0.027 0.000 0.279 1181 T C 1.305 175.955 174.700 -0.083 0.000 0.984 1181 T CA -0.674 61.348 62.100 -0.131 0.000 0.988 1181 T CB 0.326 69.023 68.868 -0.286 0.000 1.040 1181 T HN 0.002 nan 8.240 nan 0.000 0.528 1182 V N 1.366 121.210 119.914 -0.117 0.000 2.282 1182 V HA -0.167 3.937 4.120 -0.027 0.000 0.249 1182 V C 2.863 178.902 176.094 -0.092 0.000 1.057 1182 V CA 2.433 64.690 62.300 -0.070 0.000 1.032 1182 V CB -0.901 30.855 31.823 -0.111 0.000 0.645 1182 V HN 1.040 nan 8.190 nan 0.000 0.447 1183 K N -0.292 120.016 120.400 -0.154 0.000 2.097 1183 K HA -0.217 4.086 4.320 -0.027 0.000 0.206 1183 K C 1.773 178.269 176.600 -0.174 0.000 1.049 1183 K CA 1.769 57.968 56.287 -0.148 0.000 0.933 1183 K CB -0.221 32.179 32.500 -0.166 0.000 0.717 1183 K HN 0.460 nan 8.250 nan 0.000 0.442 1184 D N 0.936 121.219 120.400 -0.195 0.000 2.123 1184 D HA -0.178 4.446 4.640 -0.027 0.000 0.196 1184 D C 1.869 177.927 176.300 -0.404 0.000 0.992 1184 D CA 1.177 54.989 54.000 -0.315 0.000 0.833 1184 D CB -0.099 40.590 40.800 -0.185 0.000 0.954 1184 D HN 0.251 nan 8.370 nan 0.000 0.455 1185 L N 0.094 121.260 121.223 -0.095 0.000 2.109 1185 L HA -0.010 4.313 4.340 -0.027 0.000 0.207 1185 L C 2.434 179.347 176.870 0.071 0.000 1.086 1185 L CA 0.468 55.373 54.840 0.109 0.000 0.760 1185 L CB -0.169 41.974 42.059 0.141 0.000 0.910 1185 L HN 0.004 nan 8.230 nan 0.000 0.437 1186 I N -0.685 119.881 120.570 -0.007 0.000 2.315 1186 I HA -0.238 3.916 4.170 -0.027 0.000 0.248 1186 I C 2.551 178.675 176.117 0.011 0.000 1.117 1186 I CA 0.987 62.297 61.300 0.016 0.000 1.404 1186 I CB -0.264 37.733 38.000 -0.004 0.000 1.071 1186 I HN 0.196 nan 8.210 nan 0.000 0.419 1187 S N 1.097 116.738 115.700 -0.099 0.000 2.359 1187 S HA -0.172 4.281 4.470 -0.027 0.000 0.224 1187 S C 1.843 176.423 174.600 -0.034 0.000 1.035 1187 S CA 1.428 59.552 58.200 -0.127 0.000 1.018 1187 S CB -0.510 62.516 63.200 -0.290 0.000 0.876 1187 S HN 0.239 nan 8.310 nan 0.000 0.448 1188 F N 2.186 122.152 119.950 0.028 0.000 2.069 1188 F HA -0.005 4.506 4.527 -0.027 0.000 0.298 1188 F C 2.801 178.656 175.800 0.092 0.000 1.113 1188 F CA 0.620 58.640 58.000 0.033 0.000 1.214 1188 F CB -1.588 37.416 39.000 0.007 0.000 0.978 1188 F HN 0.289 nan 8.300 nan 0.000 0.474 1189 G N 0.182 109.169 108.800 0.312 0.000 2.513 1189 G HA2 -0.295 3.649 3.960 -0.027 0.000 0.219 1189 G HA3 -0.295 3.649 3.960 -0.027 0.000 0.219 1189 G C 1.728 176.843 174.900 0.358 0.000 1.160 1189 G CA 1.173 46.455 45.100 0.303 0.000 0.767 1189 G HN 0.326 nan 8.290 nan 0.000 0.571 1190 L N 0.599 121.962 121.223 0.234 0.000 2.012 1190 L HA -0.078 4.245 4.340 -0.027 0.000 0.210 1190 L C 2.878 179.844 176.870 0.159 0.000 1.073 1190 L CA 2.126 57.075 54.840 0.182 0.000 0.748 1190 L CB -0.946 41.173 42.059 0.101 0.000 0.891 1190 L HN 0.382 nan 8.230 nan 0.000 0.431 1191 Q N -1.283 118.612 119.800 0.159 0.000 2.234 1191 Q HA -0.164 4.160 4.340 -0.027 0.000 0.206 1191 Q C 2.098 178.174 176.000 0.126 0.000 0.980 1191 Q CA 1.581 57.469 55.803 0.142 0.000 0.869 1191 Q CB -0.184 28.654 28.738 0.168 0.000 0.912 1191 Q HN 0.482 nan 8.270 nan 0.000 0.436 1192 V N 0.439 120.465 119.914 0.186 0.000 2.548 1192 V HA -0.161 3.942 4.120 -0.027 0.000 0.249 1192 V C 2.092 178.194 176.094 0.013 0.000 1.055 1192 V CA 1.572 63.973 62.300 0.167 0.000 1.065 1192 V CB -0.585 31.445 31.823 0.345 0.000 0.681 1192 V HN 0.340 nan 8.190 nan 0.000 0.462 1193 A N -0.189 122.636 122.820 0.009 0.000 2.119 1193 A HA -0.088 4.215 4.320 -0.027 0.000 0.217 1193 A C 2.358 179.837 177.584 -0.175 0.000 1.153 1193 A CA 1.004 52.902 52.037 -0.231 0.000 0.692 1193 A CB -0.300 18.605 19.000 -0.159 0.000 0.799 1193 A HN 0.513 nan 8.150 nan 0.000 0.458 1194 R N -0.942 119.503 120.500 -0.091 0.000 2.066 1194 R HA 0.022 4.345 4.340 -0.027 0.000 0.224 1194 R C 2.468 178.567 176.300 -0.335 0.000 1.122 1194 R CA 0.821 56.868 56.100 -0.088 0.000 0.974 1194 R CB -0.617 29.727 30.300 0.074 0.000 0.871 1194 R HN 0.463 nan 8.270 nan 0.000 0.435 1195 G N 1.663 110.273 108.800 -0.318 0.000 2.529 1195 G HA2 -0.282 3.662 3.960 -0.027 0.000 0.219 1195 G HA3 -0.282 3.662 3.960 -0.027 0.000 0.219 1195 G C 1.402 176.062 174.900 -0.399 0.000 1.177 1195 G CA 0.900 45.760 45.100 -0.400 0.000 0.773 1195 G HN 0.066 nan 8.290 nan 0.000 0.573 1196 M N 0.390 119.706 119.600 -0.472 0.000 2.200 1196 M HA 0.058 4.522 4.480 -0.027 0.000 0.265 1196 M C 2.249 178.124 176.300 -0.708 0.000 1.066 1196 M CA 0.964 55.806 55.300 -0.763 0.000 1.127 1196 M CB -1.010 30.704 32.600 -1.476 0.000 1.379 1196 M HN 0.497 nan 8.290 nan 0.000 0.420 1197 E N -0.425 119.493 120.200 -0.470 0.000 2.058 1197 E HA -0.262 4.072 4.350 -0.027 0.000 0.194 1197 E C 2.070 178.621 176.600 -0.081 0.000 0.997 1197 E CA 1.400 57.724 56.400 -0.126 0.000 0.801 1197 E CB -0.234 29.459 29.700 -0.012 0.000 0.746 1197 E HN 0.465 nan 8.360 nan 0.000 0.450 1198 Y N 1.355 121.497 120.300 -0.263 0.000 2.097 1198 Y HA -0.237 4.297 4.550 -0.026 0.000 0.282 1198 Y C 2.106 177.895 175.900 -0.186 0.000 1.152 1198 Y CA 1.914 59.889 58.100 -0.208 0.000 1.136 1198 Y CB -0.431 37.810 38.460 -0.365 0.000 0.975 1198 Y HN 0.026 nan 8.280 nan 0.000 0.498 1199 L N -0.241 120.839 121.223 -0.238 0.000 2.043 1199 L HA -0.318 4.006 4.340 -0.027 0.000 0.212 1199 L C 2.752 179.541 176.870 -0.135 0.000 1.075 1199 L CA 1.447 56.123 54.840 -0.272 0.000 0.752 1199 L CB -1.117 40.776 42.059 -0.277 0.000 0.891 1199 L HN 0.406 nan 8.230 nan 0.000 0.432 1200 A N -0.452 122.309 122.820 -0.099 0.000 1.930 1200 A HA -0.237 4.067 4.320 -0.027 0.000 0.217 1200 A C 2.298 179.869 177.584 -0.022 0.000 1.175 1200 A CA 1.647 53.691 52.037 0.012 0.000 0.627 1200 A CB -0.499 18.576 19.000 0.125 0.000 0.815 1200 A HN 0.505 nan 8.150 nan 0.000 0.443 1201 E N -0.425 119.724 120.200 -0.085 0.000 2.110 1201 E HA -0.221 4.113 4.350 -0.027 0.000 0.193 1201 E C 1.125 177.643 176.600 -0.136 0.000 0.988 1201 E CA 1.157 57.499 56.400 -0.098 0.000 0.804 1201 E CB -0.110 29.522 29.700 -0.112 0.000 0.745 1201 E HN 0.520 nan 8.360 nan 0.000 0.458 1202 Q N 0.446 120.106 119.800 -0.233 0.000 2.373 1202 Q HA 0.014 4.338 4.340 -0.027 0.000 0.206 1202 Q C -0.174 175.853 176.000 0.045 0.000 0.942 1202 Q CA 0.222 55.934 55.803 -0.152 0.000 0.953 1202 Q CB 0.456 28.997 28.738 -0.328 0.000 1.022 1202 Q HN 0.182 nan 8.270 nan 0.000 0.502 1203 K N -0.286 120.117 120.400 0.005 0.000 3.117 1203 K HA -0.185 4.119 4.320 -0.027 0.000 0.269 1203 K C -0.765 175.786 176.600 -0.082 0.000 1.098 1203 K CA 0.566 56.839 56.287 -0.023 0.000 0.785 1203 K CB -2.312 30.150 32.500 -0.064 0.000 1.242 1203 K HN 0.150 nan 8.250 nan 0.000 0.491 1204 F N -0.133 119.764 119.950 -0.087 0.000 2.436 1204 F HA 0.342 4.854 4.527 -0.026 0.000 0.340 1204 F C 0.736 176.532 175.800 -0.008 0.000 1.113 1204 F CA -0.878 57.083 58.000 -0.065 0.000 1.022 1204 F CB 1.569 40.476 39.000 -0.155 0.000 1.128 1204 F HN -0.228 nan 8.300 nan 0.000 0.466 1205 V N 4.649 124.653 119.914 0.150 0.000 2.370 1205 V HA 0.127 4.231 4.120 -0.027 0.000 0.283 1205 V C 1.010 177.257 176.094 0.255 0.000 1.023 1205 V CA -0.579 61.842 62.300 0.203 0.000 0.857 1205 V CB 1.078 33.006 31.823 0.176 0.000 0.985 1205 V HN 0.821 nan 8.190 nan 0.000 0.443 1206 H N 5.133 124.325 119.070 0.202 0.000 2.270 1206 H HA -0.055 4.485 4.556 -0.028 0.000 0.299 1206 H C 1.613 177.025 175.328 0.139 0.000 1.077 1206 H CA 2.387 58.569 56.048 0.224 0.000 1.294 1206 H CB 0.356 30.248 29.762 0.217 0.000 1.371 1206 H HN 0.737 nan 8.280 nan 0.000 0.491 1207 R N -1.093 119.585 120.500 0.298 0.000 3.749 1207 R HA -0.181 4.143 4.340 -0.027 0.000 0.476 1207 R C -0.329 176.102 176.300 0.219 0.000 0.814 1207 R CA 1.307 57.395 56.100 -0.021 0.000 1.494 1207 R CB -1.456 28.613 30.300 -0.386 0.000 2.164 1207 R HN 0.348 nan 8.270 nan 0.000 0.473 1208 D N 0.212 120.886 120.400 0.456 0.000 3.078 1208 D HA 0.156 4.779 4.640 -0.027 0.000 0.363 1208 D C -1.139 175.233 176.300 0.120 0.000 1.391 1208 D CA -0.412 53.817 54.000 0.382 0.000 0.754 1208 D CB 0.332 41.403 40.800 0.452 0.000 1.238 1208 D HN 0.038 nan 8.370 nan 0.000 0.500 1209 L N 1.518 122.672 121.223 -0.115 0.000 2.367 1209 L HA 0.716 5.040 4.340 -0.027 0.000 0.275 1209 L C -0.384 176.485 176.870 -0.002 0.000 1.129 1209 L CA 0.333 54.978 54.840 -0.325 0.000 0.839 1209 L CB 0.648 42.612 42.059 -0.157 0.000 1.133 1209 L HN 0.247 nan 8.230 nan 0.000 0.453 1210 A N 3.617 126.422 122.820 -0.025 0.000 2.522 1210 A HA 0.653 4.957 4.320 -0.027 0.000 0.291 1210 A C 0.298 177.917 177.584 0.058 0.000 1.039 1210 A CA -0.127 51.888 52.037 -0.037 0.000 0.643 1210 A CB -0.093 18.559 19.000 -0.580 0.000 1.310 1210 A HN 1.085 nan 8.150 nan 0.000 0.436 1211 A N 0.329 123.234 122.820 0.141 0.000 1.930 1211 A HA -0.080 4.224 4.320 -0.027 0.000 0.217 1211 A C 1.952 179.572 177.584 0.060 0.000 1.175 1211 A CA 1.950 54.064 52.037 0.128 0.000 0.627 1211 A CB -0.617 18.492 19.000 0.182 0.000 0.815 1211 A HN 1.096 nan 8.150 nan 0.000 0.443 1212 R N -0.627 119.885 120.500 0.020 0.000 2.115 1212 R HA -0.039 4.285 4.340 -0.027 0.000 0.230 1212 R C 0.221 176.529 176.300 0.013 0.000 1.111 1212 R CA 1.516 57.619 56.100 0.005 0.000 0.976 1212 R CB -0.554 29.725 30.300 -0.035 0.000 0.870 1212 R HN 0.295 nan 8.270 nan 0.000 0.445 1213 N N 0.360 119.075 118.700 0.025 0.000 2.375 1213 N HA 0.092 4.816 4.740 -0.027 0.000 0.220 1213 N C -1.048 174.522 175.510 0.101 0.000 1.170 1213 N CA 0.024 53.120 53.050 0.077 0.000 0.833 1213 N CB 0.399 38.977 38.487 0.152 0.000 1.069 1213 N HN 0.190 nan 8.380 nan 0.000 0.479 1214 C N 1.757 121.094 119.300 0.062 0.000 2.321 1214 C HA 0.472 4.916 4.460 -0.027 0.000 0.323 1214 C C 0.169 175.162 174.990 0.004 0.000 1.191 1214 C CA -1.081 57.969 59.018 0.054 0.000 1.455 1214 C CB -0.117 27.655 27.740 0.052 0.000 2.083 1214 C HN 0.220 nan 8.230 nan 0.000 0.442 1215 M N 3.035 122.635 119.600 0.001 0.000 2.368 1215 M HA 0.568 5.032 4.480 -0.027 0.000 0.311 1215 M C -0.512 175.756 176.300 -0.054 0.000 1.168 1215 M CA -0.686 54.593 55.300 -0.035 0.000 1.044 1215 M CB 0.736 33.309 32.600 -0.045 0.000 1.506 1215 M HN 0.285 nan 8.290 nan 0.000 0.475 1216 L N 2.094 123.278 121.223 -0.066 0.000 2.356 1216 L HA 0.366 4.690 4.340 -0.027 0.000 0.277 1216 L C 0.059 176.892 176.870 -0.060 0.000 0.996 1216 L CA -0.559 54.237 54.840 -0.072 0.000 0.822 1216 L CB 1.359 43.368 42.059 -0.083 0.000 1.256 1216 L HN 0.668 nan 8.230 nan 0.000 0.413 1217 D N 1.814 122.175 120.400 -0.066 0.000 2.506 1217 D HA 0.116 4.740 4.640 -0.027 0.000 0.272 1217 D C 0.706 176.978 176.300 -0.046 0.000 1.214 1217 D CA -0.355 53.613 54.000 -0.054 0.000 1.067 1217 D CB 0.782 41.565 40.800 -0.029 0.000 1.117 1217 D HN 0.445 nan 8.370 nan 0.000 0.578 1218 E N -0.494 119.698 120.200 -0.013 0.000 2.136 1218 E HA -0.207 4.127 4.350 -0.027 0.000 0.202 1218 E C 1.290 177.799 176.600 -0.153 0.000 1.019 1218 E CA 2.155 58.559 56.400 0.007 0.000 0.819 1218 E CB -0.265 29.445 29.700 0.016 0.000 0.739 1218 E HN 0.603 nan 8.360 nan 0.000 0.458 1219 S N -0.786 114.842 115.700 -0.120 0.000 2.573 1219 S HA 0.156 4.610 4.470 -0.027 0.000 0.244 1219 S C 0.229 174.878 174.600 0.082 0.000 0.984 1219 S CA -0.511 57.678 58.200 -0.020 0.000 1.001 1219 S CB -0.640 62.597 63.200 0.061 0.000 0.788 1219 S HN 0.233 nan 8.310 nan 0.000 0.456 1220 F N 0.399 120.327 119.950 -0.037 0.000 3.093 1220 F HA -0.199 4.312 4.527 -0.027 0.000 0.287 1220 F C 0.429 176.230 175.800 0.003 0.000 0.882 1220 F CA 0.645 58.598 58.000 -0.078 0.000 1.063 1220 F CB -2.783 36.166 39.000 -0.086 0.000 1.097 1220 F HN 0.221 nan 8.300 nan 0.000 0.604 1221 T N 0.905 115.518 114.554 0.099 0.000 2.794 1221 T HA 0.477 4.810 4.350 -0.027 0.000 0.296 1221 T C 0.531 175.265 174.700 0.057 0.000 0.949 1221 T CA -0.500 61.655 62.100 0.091 0.000 1.101 1221 T CB 1.477 70.379 68.868 0.056 0.000 0.905 1221 T HN 0.032 nan 8.240 nan 0.000 0.516 1222 V N 5.767 125.729 119.914 0.081 0.000 2.508 1222 V HA 0.199 4.303 4.120 -0.027 0.000 0.281 1222 V C 0.346 176.471 176.094 0.052 0.000 1.041 1222 V CA -0.256 62.068 62.300 0.041 0.000 1.016 1222 V CB 0.507 32.373 31.823 0.073 0.000 0.984 1222 V HN 0.653 nan 8.190 nan 0.000 0.478 1223 K N 4.712 125.134 120.400 0.037 0.000 2.367 1223 K HA 0.440 4.744 4.320 -0.027 0.000 0.263 1223 K C -0.625 176.029 176.600 0.089 0.000 1.000 1223 K CA -0.636 55.685 56.287 0.057 0.000 0.891 1223 K CB 1.686 34.213 32.500 0.044 0.000 1.117 1223 K HN 0.394 nan 8.250 nan 0.000 0.443 1224 V N 2.065 122.047 119.914 0.113 0.000 2.763 1224 V HA 0.337 4.441 4.120 -0.027 0.000 0.306 1224 V C 0.572 176.869 176.094 0.338 0.000 1.059 1224 V CA 0.167 62.587 62.300 0.200 0.000 1.138 1224 V CB 0.736 32.651 31.823 0.155 0.000 0.940 1224 V HN 0.936 nan 8.190 nan 0.000 0.489 1225 A N 2.835 125.886 122.820 0.385 0.000 2.599 1225 A HA 0.654 4.958 4.320 -0.027 0.000 0.290 1225 A C -0.171 177.439 177.584 0.043 0.000 1.101 1225 A CA -0.303 51.835 52.037 0.169 0.000 0.674 1225 A CB 1.115 20.145 19.000 0.050 0.000 1.277 1225 A HN 0.734 nan 8.150 nan 0.000 0.419 1226 D N -0.914 119.309 120.400 -0.295 0.000 2.882 1226 D HA -0.173 4.450 4.640 -0.027 0.000 0.229 1226 D C 0.018 176.043 176.300 -0.459 0.000 1.167 1226 D CA 1.956 55.769 54.000 -0.311 0.000 0.759 1226 D CB -1.913 38.859 40.800 -0.047 0.000 1.088 1226 D HN 0.688 nan 8.370 nan 0.000 0.425 1227 F N -1.775 117.843 119.950 -0.554 0.000 2.403 1227 F HA 0.510 5.021 4.527 -0.028 0.000 0.320 1227 F C 1.800 177.460 175.800 -0.234 0.000 1.176 1227 F CA -0.221 57.386 58.000 -0.655 0.000 1.206 1227 F CB 0.327 38.993 39.000 -0.556 0.000 1.235 1227 F HN -0.007 nan 8.300 nan 0.000 0.565 1228 G N 0.531 109.368 108.800 0.061 0.000 2.162 1228 G HA2 -0.266 3.678 3.960 -0.027 0.000 0.260 1228 G HA3 -0.266 3.678 3.960 -0.027 0.000 0.260 1228 G C 0.330 175.207 174.900 -0.039 0.000 0.976 1228 G CA 0.539 45.706 45.100 0.112 0.000 0.655 1228 G HN 0.693 nan 8.290 nan 0.000 0.533 1229 L N -0.236 120.811 121.223 -0.295 0.000 2.379 1229 L HA 0.572 4.896 4.340 -0.027 0.000 0.190 1229 L C 2.107 178.493 176.870 -0.807 0.000 1.111 1229 L CA 0.597 55.018 54.840 -0.699 0.000 0.820 1229 L CB -0.637 40.794 42.059 -1.047 0.000 1.046 1229 L HN 0.365 nan 8.230 nan 0.000 0.485 1230 A N 0.920 123.371 122.820 -0.614 0.000 2.445 1230 A HA 0.425 4.729 4.320 -0.027 0.000 0.242 1230 A C -0.201 177.367 177.584 -0.027 0.000 1.075 1230 A CA 0.222 52.173 52.037 -0.144 0.000 0.777 1230 A CB 0.143 19.243 19.000 0.167 0.000 1.013 1230 A HN 0.328 nan 8.150 nan 0.000 0.493 1231 R N 0.635 121.196 120.500 0.102 0.000 2.837 1231 R HA 0.373 4.697 4.340 -0.027 0.000 0.271 1231 R C -1.457 174.988 176.300 0.242 0.000 0.993 1231 R CA -1.046 55.129 56.100 0.125 0.000 0.931 1231 R CB 1.192 31.555 30.300 0.104 0.000 1.206 1231 R HN 0.681 nan 8.270 nan 0.000 0.474 1232 D N 1.595 122.153 120.400 0.262 0.000 2.533 1232 D HA 0.022 4.646 4.640 -0.027 0.000 0.236 1232 D C 1.287 177.745 176.300 0.263 0.000 1.137 1232 D CA 0.972 55.174 54.000 0.336 0.000 0.867 1232 D CB 0.300 41.236 40.800 0.227 0.000 1.170 1232 D HN 0.581 nan 8.370 nan 0.000 0.474 1233 I N 0.306 121.059 120.570 0.304 0.000 4.381 1233 I HA -0.481 3.673 4.170 -0.027 0.000 0.070 1233 I C 1.877 178.081 176.117 0.146 0.000 0.586 1233 I CA 1.057 62.483 61.300 0.209 0.000 1.055 1233 I CB -0.674 37.417 38.000 0.152 0.000 0.943 1233 I HN 0.440 nan 8.210 nan 0.000 0.171 1234 L N 0.533 121.845 121.223 0.149 0.000 2.131 1234 L HA -0.210 4.114 4.340 -0.027 0.000 0.210 1234 L C 1.151 178.106 176.870 0.142 0.000 1.092 1234 L CA 1.754 56.666 54.840 0.119 0.000 0.759 1234 L CB -0.463 41.661 42.059 0.108 0.000 0.903 1234 L HN 0.381 nan 8.230 nan 0.000 0.435 1235 D N -0.823 119.713 120.400 0.227 0.000 2.395 1235 D HA 0.016 4.640 4.640 -0.027 0.000 0.226 1235 D C 1.692 178.173 176.300 0.302 0.000 1.146 1235 D CA -0.079 54.092 54.000 0.286 0.000 0.830 1235 D CB 0.242 41.279 40.800 0.394 0.000 0.958 1235 D HN 0.159 nan 8.370 nan 0.000 0.501 1236 R N 1.194 121.753 120.500 0.098 0.000 2.189 1236 R HA -0.251 4.073 4.340 -0.027 0.000 0.252 1236 R C 1.410 177.628 176.300 -0.138 0.000 1.134 1236 R CA 1.707 57.626 56.100 -0.303 0.000 0.954 1236 R CB 0.024 30.052 30.300 -0.454 0.000 0.890 1236 R HN 0.328 nan 8.270 nan 0.000 0.443 1237 E N -1.237 118.948 120.200 -0.024 0.000 2.204 1237 E HA -0.223 4.111 4.350 -0.027 0.000 0.194 1237 E C 1.745 178.342 176.600 -0.005 0.000 0.989 1237 E CA 0.945 57.346 56.400 0.002 0.000 0.824 1237 E CB -0.241 29.480 29.700 0.035 0.000 0.756 1237 E HN 0.426 nan 8.360 nan 0.000 0.477 1238 Y N 0.327 120.488 120.300 -0.233 0.000 2.274 1238 Y HA -0.227 4.306 4.550 -0.028 0.000 0.290 1238 Y C 0.821 176.430 175.900 -0.484 0.000 1.145 1238 Y CA 1.274 59.022 58.100 -0.587 0.000 1.203 1238 Y CB -0.022 37.943 38.460 -0.825 0.000 0.984 1238 Y HN 0.027 nan 8.280 nan 0.000 0.533 1239 Y N -0.696 119.632 120.300 0.047 0.000 2.683 1239 Y HA 0.343 4.880 4.550 -0.022 0.000 0.297 1239 Y C 0.880 176.865 175.900 0.142 0.000 1.147 1239 Y CA -0.448 57.719 58.100 0.111 0.000 1.274 1239 Y CB -0.144 38.540 38.460 0.373 0.000 1.143 1239 Y HN -0.213 nan 8.280 nan 0.000 0.527 1240 S N 0.102 115.884 115.700 0.136 0.000 2.617 1240 S HA 0.500 4.954 4.470 -0.027 0.000 0.269 1240 S C 0.218 174.881 174.600 0.105 0.000 1.292 1240 S CA -0.629 57.648 58.200 0.128 0.000 1.010 1240 S CB 1.167 64.406 63.200 0.065 0.000 0.944 1240 S HN 0.013 nan 8.310 nan 0.000 0.536 1241 V N 2.100 122.087 119.914 0.121 0.000 2.973 1241 V HA 0.434 4.538 4.120 -0.027 0.000 0.314 1241 V C -0.083 176.056 176.094 0.075 0.000 1.066 1241 V CA -0.627 61.738 62.300 0.108 0.000 1.021 1241 V CB 1.037 32.958 31.823 0.164 0.000 1.076 1241 V HN 0.955 nan 8.190 nan 0.000 0.462 1242 Q N 1.748 121.565 119.800 0.028 0.000 2.432 1242 Q HA -0.148 4.176 4.340 -0.027 0.000 0.349 1242 Q C -0.581 175.402 176.000 -0.027 0.000 1.441 1242 Q CA 0.245 56.019 55.803 -0.049 0.000 0.926 1242 Q CB -0.561 28.135 28.738 -0.069 0.000 1.124 1242 Q HN 0.801 nan 8.270 nan 0.000 0.331 1243 Q N 0.697 120.508 119.800 0.019 0.000 2.227 1243 Q HA 0.149 4.472 4.340 -0.027 0.000 0.332 1243 Q C 0.539 176.657 176.000 0.196 0.000 0.878 1243 Q CA -0.416 55.444 55.803 0.096 0.000 1.120 1243 Q CB 0.537 29.327 28.738 0.086 0.000 1.315 1243 Q HN 0.572 nan 8.270 nan 0.000 0.414 1244 H N 0.579 119.724 119.070 0.125 0.000 1.544 1244 H HA -0.256 4.284 4.556 -0.026 0.000 0.090 1244 H C 0.633 176.072 175.328 0.186 0.000 0.539 1244 H CA 2.391 58.533 56.048 0.157 0.000 1.893 1244 H CB -0.447 29.358 29.762 0.072 0.000 2.246 1244 H HN 0.195 nan 8.280 nan 0.000 0.960 1245 R N 2.774 123.409 120.500 0.225 0.000 2.612 1245 R HA 0.029 4.353 4.340 -0.027 0.000 0.273 1245 R C 1.139 177.484 176.300 0.075 0.000 1.376 1245 R CA 0.438 56.584 56.100 0.077 0.000 1.171 1245 R CB -0.408 29.924 30.300 0.053 0.000 1.151 1245 R HN 0.609 nan 8.270 nan 0.000 0.560 1246 H N 0.948 120.048 119.070 0.050 0.000 2.893 1246 H HA 0.268 4.809 4.556 -0.026 0.000 0.270 1246 H C 0.767 176.132 175.328 0.061 0.000 1.095 1246 H CA 0.451 56.525 56.048 0.044 0.000 1.186 1246 H CB 0.482 30.261 29.762 0.028 0.000 1.562 1246 H HN 0.414 nan 8.280 nan 0.000 0.536 1247 A N 1.958 124.655 122.820 -0.205 0.000 2.070 1247 A HA -0.070 4.234 4.320 -0.027 0.000 0.220 1247 A C 1.944 179.598 177.584 0.118 0.000 1.159 1247 A CA 0.869 52.844 52.037 -0.104 0.000 0.656 1247 A CB -0.241 18.675 19.000 -0.140 0.000 0.800 1247 A HN 0.358 nan 8.150 nan 0.000 0.453 1248 R N -1.137 119.462 120.500 0.165 0.000 2.642 1248 R HA 0.350 4.674 4.340 -0.027 0.000 0.435 1248 R C -0.957 175.461 176.300 0.197 0.000 1.046 1248 R CA -0.255 56.018 56.100 0.288 0.000 1.103 1248 R CB 0.248 30.645 30.300 0.163 0.000 1.425 1248 R HN 0.331 nan 8.270 nan 0.000 0.586 1249 L N 1.370 122.713 121.223 0.200 0.000 2.436 1249 L HA 0.226 4.550 4.340 -0.027 0.000 0.265 1249 L C -1.265 175.688 176.870 0.138 0.000 1.168 1249 L CA -1.843 53.028 54.840 0.051 0.000 0.815 1249 L CB 0.663 42.747 42.059 0.041 0.000 1.109 1249 L HN -0.198 nan 8.230 nan 0.000 0.462 1250 P HA -0.123 nan 4.420 nan 0.000 0.220 1250 P C 1.704 179.221 177.300 0.362 0.000 1.148 1250 P CA 0.566 63.664 63.100 -0.003 0.000 0.803 1250 P CB 0.157 31.558 31.700 -0.500 0.000 0.782 1251 V N 0.328 120.403 119.914 0.268 0.000 2.363 1251 V HA -0.296 3.808 4.120 -0.027 0.000 0.254 1251 V C 2.071 178.338 176.094 0.289 0.000 1.074 1251 V CA 1.980 64.449 62.300 0.282 0.000 1.069 1251 V CB -1.068 30.857 31.823 0.170 0.000 0.659 1251 V HN 0.218 nan 8.190 nan 0.000 0.455 1252 K N -1.855 118.771 120.400 0.378 0.000 2.486 1252 K HA -0.062 4.242 4.320 -0.027 0.000 0.194 1252 K C 1.602 178.354 176.600 0.253 0.000 1.033 1252 K CA 0.655 57.109 56.287 0.279 0.000 1.004 1252 K CB -0.011 32.587 32.500 0.163 0.000 0.798 1252 K HN 0.582 nan 8.250 nan 0.000 0.495 1253 W N 1.237 122.702 121.300 0.276 0.000 3.058 1253 W HA 0.073 4.716 4.660 -0.029 0.000 0.306 1253 W C 0.043 176.811 176.519 0.414 0.000 1.188 1253 W CA -0.040 57.520 57.345 0.358 0.000 1.651 1253 W CB 0.624 30.262 29.460 0.297 0.000 1.051 1253 W HN -0.102 nan 8.180 nan 0.000 0.592 1254 T N -0.520 114.301 114.554 0.446 0.000 2.867 1254 T HA 0.665 4.999 4.350 -0.027 0.000 0.282 1254 T C 0.223 174.692 174.700 -0.384 0.000 1.000 1254 T CA -0.688 61.535 62.100 0.205 0.000 1.042 1254 T CB 2.574 71.636 68.868 0.324 0.000 0.973 1254 T HN 0.009 nan 8.240 nan 0.000 0.465 1255 A N 2.319 124.755 122.820 -0.641 0.000 2.483 1255 A HA 0.331 4.635 4.320 -0.027 0.000 0.238 1255 A C 1.501 178.484 177.584 -1.003 0.000 1.070 1255 A CA -0.595 50.638 52.037 -1.339 0.000 0.770 1255 A CB -0.275 18.388 19.000 -0.561 0.000 1.008 1255 A HN 0.966 nan 8.150 nan 0.000 0.497 1256 L N 1.184 121.678 121.223 -1.216 0.000 2.051 1256 L HA -0.211 4.112 4.340 -0.027 0.000 0.214 1256 L C 2.567 179.153 176.870 -0.474 0.000 1.076 1256 L CA 2.874 57.315 54.840 -0.665 0.000 0.758 1256 L CB -0.589 41.182 42.059 -0.480 0.000 0.890 1256 L HN 0.906 nan 8.230 nan 0.000 0.433 1257 E N -1.735 118.210 120.200 -0.425 0.000 2.216 1257 E HA -0.102 4.232 4.350 -0.027 0.000 0.192 1257 E C 1.859 178.198 176.600 -0.435 0.000 0.988 1257 E CA 1.211 57.402 56.400 -0.347 0.000 0.834 1257 E CB -0.526 29.027 29.700 -0.245 0.000 0.772 1257 E HN 0.521 nan 8.360 nan 0.000 0.479 1258 S N 1.172 116.557 115.700 -0.525 0.000 2.428 1258 S HA 0.054 4.508 4.470 -0.027 0.000 0.230 1258 S C 2.066 176.199 174.600 -0.778 0.000 1.014 1258 S CA 0.607 58.352 58.200 -0.757 0.000 0.957 1258 S CB -0.207 62.442 63.200 -0.919 0.000 0.784 1258 S HN 0.208 nan 8.310 nan 0.000 0.499 1259 L N 0.752 121.620 121.223 -0.591 0.000 2.217 1259 L HA -0.046 4.278 4.340 -0.027 0.000 0.211 1259 L C 2.279 178.744 176.870 -0.676 0.000 1.107 1259 L CA 0.981 55.495 54.840 -0.544 0.000 0.783 1259 L CB -0.300 41.556 42.059 -0.339 0.000 0.919 1259 L HN 0.270 nan 8.230 nan 0.000 0.442 1260 Q N -1.265 118.197 119.800 -0.564 0.000 2.392 1260 Q HA -0.037 4.287 4.340 -0.027 0.000 0.203 1260 Q C 1.610 177.330 176.000 -0.466 0.000 0.917 1260 Q CA 1.331 56.864 55.803 -0.450 0.000 0.939 1260 Q CB 0.449 28.997 28.738 -0.317 0.000 1.063 1260 Q HN 0.555 nan 8.270 nan 0.000 0.516 1261 T N -6.184 108.004 114.554 -0.609 0.000 3.029 1261 T HA 0.032 4.365 4.350 -0.027 0.000 0.256 1261 T C -0.102 174.390 174.700 -0.347 0.000 0.914 1261 T CA -0.232 61.624 62.100 -0.405 0.000 0.880 1261 T CB 0.068 68.776 68.868 -0.267 0.000 1.246 1261 T HN 0.141 nan 8.240 nan 0.000 0.523 1262 Y N 0.731 120.832 120.300 -0.331 0.000 3.929 1262 Y HA -0.144 4.393 4.550 -0.021 0.000 0.225 1262 Y C 0.346 176.032 175.900 -0.357 0.000 1.200 1262 Y CA -0.374 57.506 58.100 -0.367 0.000 1.791 1262 Y CB -2.532 35.923 38.460 -0.009 0.000 1.561 1262 Y HN 0.250 nan 8.280 nan 0.000 0.657 1263 R N 0.231 120.458 120.500 -0.455 0.000 2.445 1263 R HA 0.736 5.060 4.340 -0.027 0.000 0.308 1263 R C -0.936 175.073 176.300 -0.485 0.000 0.961 1263 R CA -0.490 55.456 56.100 -0.257 0.000 0.862 1263 R CB 0.745 30.963 30.300 -0.137 0.000 1.144 1263 R HN 0.055 nan 8.270 nan 0.000 0.447 1264 F N 0.575 120.521 119.950 -0.005 0.000 2.508 1264 F HA 0.596 5.112 4.527 -0.018 0.000 0.325 1264 F C 0.690 176.513 175.800 0.038 0.000 1.090 1264 F CA -0.508 57.498 58.000 0.010 0.000 0.945 1264 F CB 2.315 41.340 39.000 0.042 0.000 1.156 1264 F HN 0.496 nan 8.300 nan 0.000 0.463 1265 T N -2.947 111.738 114.554 0.218 0.000 2.864 1265 T HA 0.285 4.619 4.350 -0.027 0.000 0.289 1265 T C 0.680 175.508 174.700 0.213 0.000 1.082 1265 T CA -0.563 61.637 62.100 0.166 0.000 1.009 1265 T CB 1.363 70.286 68.868 0.093 0.000 1.234 1265 T HN 0.448 nan 8.240 nan 0.000 0.526 1266 T N 1.017 115.685 114.554 0.189 0.000 2.737 1266 T HA -0.092 4.241 4.350 -0.027 0.000 0.269 1266 T C 1.757 176.588 174.700 0.219 0.000 1.040 1266 T CA 1.228 63.476 62.100 0.246 0.000 1.142 1266 T CB -0.299 68.694 68.868 0.208 0.000 0.861 1266 T HN 0.491 nan 8.240 nan 0.000 0.456 1267 K N 1.144 121.627 120.400 0.139 0.000 2.217 1267 K HA 0.136 4.440 4.320 -0.027 0.000 0.202 1267 K C 2.599 179.318 176.600 0.198 0.000 1.051 1267 K CA 0.566 56.920 56.287 0.112 0.000 0.952 1267 K CB -0.462 32.082 32.500 0.075 0.000 0.736 1267 K HN 0.241 nan 8.250 nan 0.000 0.453 1268 S N 1.748 117.576 115.700 0.214 0.000 2.382 1268 S HA -0.118 4.336 4.470 -0.027 0.000 0.228 1268 S C 1.264 176.106 174.600 0.404 0.000 1.027 1268 S CA 1.274 59.637 58.200 0.272 0.000 0.991 1268 S CB -0.121 63.243 63.200 0.273 0.000 0.823 1268 S HN 0.271 nan 8.310 nan 0.000 0.469 1269 D N 0.844 121.490 120.400 0.411 0.000 2.224 1269 D HA -0.009 4.615 4.640 -0.027 0.000 0.205 1269 D C 1.879 178.527 176.300 0.579 0.000 0.965 1269 D CA 0.505 54.816 54.000 0.520 0.000 0.852 1269 D CB -0.199 40.948 40.800 0.578 0.000 0.947 1269 D HN 0.222 nan 8.370 nan 0.000 0.494 1270 V N 0.597 120.692 119.914 0.301 0.000 2.453 1270 V HA -0.148 3.956 4.120 -0.027 0.000 0.247 1270 V C 2.164 178.448 176.094 0.316 0.000 1.048 1270 V CA 0.893 63.218 62.300 0.041 0.000 1.049 1270 V CB -0.356 31.321 31.823 -0.243 0.000 0.672 1270 V HN 0.356 nan 8.190 nan 0.000 0.457 1271 W N 1.427 122.866 121.300 0.230 0.000 2.315 1271 W HA -0.245 4.399 4.660 -0.027 0.000 0.323 1271 W C 2.568 179.368 176.519 0.468 0.000 1.233 1271 W CA 2.429 59.995 57.345 0.368 0.000 1.267 1271 W CB -0.692 28.967 29.460 0.330 0.000 1.160 1271 W HN 0.321 nan 8.180 nan 0.000 0.474 1272 S N 0.706 116.895 115.700 0.815 0.000 2.370 1272 S HA -0.249 4.205 4.470 -0.027 0.000 0.226 1272 S C 1.557 176.534 174.600 0.629 0.000 1.033 1272 S CA 1.675 60.319 58.200 0.741 0.000 1.011 1272 S CB -1.132 62.440 63.200 0.620 0.000 0.852 1272 S HN 0.332 nan 8.310 nan 0.000 0.457 1273 F N 2.706 122.916 119.950 0.433 0.000 2.065 1273 F HA -0.099 4.411 4.527 -0.029 0.000 0.298 1273 F C 2.344 178.301 175.800 0.262 0.000 1.112 1273 F CA 1.424 59.639 58.000 0.358 0.000 1.212 1273 F CB -1.192 38.065 39.000 0.428 0.000 0.975 1273 F HN 0.208 nan 8.300 nan 0.000 0.476 1274 G N 0.190 109.029 108.800 0.065 0.000 2.513 1274 G HA2 -0.285 3.658 3.960 -0.027 0.000 0.219 1274 G HA3 -0.285 3.658 3.960 -0.027 0.000 0.219 1274 G C 1.767 176.766 174.900 0.165 0.000 1.160 1274 G CA 1.667 46.617 45.100 -0.250 0.000 0.767 1274 G HN 0.387 nan 8.290 nan 0.000 0.571 1275 V N 0.838 121.040 119.914 0.480 0.000 2.343 1275 V HA -0.145 3.959 4.120 -0.027 0.000 0.247 1275 V C 2.713 178.995 176.094 0.315 0.000 1.051 1275 V CA 1.681 64.185 62.300 0.341 0.000 1.036 1275 V CB -0.556 31.321 31.823 0.090 0.000 0.654 1275 V HN 0.397 nan 8.190 nan 0.000 0.451 1276 L N -0.785 120.652 121.223 0.356 0.000 2.043 1276 L HA -0.223 4.101 4.340 -0.027 0.000 0.212 1276 L C 2.334 179.286 176.870 0.137 0.000 1.075 1276 L CA 1.685 56.712 54.840 0.311 0.000 0.752 1276 L CB -0.231 41.992 42.059 0.274 0.000 0.891 1276 L HN 0.262 nan 8.230 nan 0.000 0.432 1277 L N -1.281 119.896 121.223 -0.076 0.000 2.141 1277 L HA -0.214 4.110 4.340 -0.027 0.000 0.209 1277 L C 1.968 178.894 176.870 0.094 0.000 1.094 1277 L CA 1.700 56.467 54.840 -0.122 0.000 0.763 1277 L CB -0.729 41.099 42.059 -0.386 0.000 0.908 1277 L HN 0.483 nan 8.230 nan 0.000 0.437 1278 W N 0.594 121.908 121.300 0.024 0.000 2.379 1278 W HA -0.167 4.479 4.660 -0.024 0.000 0.307 1278 W C 2.354 178.905 176.519 0.053 0.000 1.200 1278 W CA 1.794 59.184 57.345 0.075 0.000 1.297 1278 W CB -0.001 29.537 29.460 0.129 0.000 1.140 1278 W HN 0.181 nan 8.180 nan 0.000 0.507 1279 E N 0.249 120.619 120.200 0.283 0.000 2.049 1279 E HA -0.306 4.028 4.350 -0.027 0.000 0.198 1279 E C 2.198 178.817 176.600 0.032 0.000 1.007 1279 E CA 2.094 58.584 56.400 0.150 0.000 0.809 1279 E CB -0.904 28.979 29.700 0.305 0.000 0.749 1279 E HN 0.317 nan 8.360 nan 0.000 0.450 1280 L N 0.179 121.452 121.223 0.084 0.000 2.051 1280 L HA -0.254 4.070 4.340 -0.027 0.000 0.214 1280 L C 2.365 179.256 176.870 0.034 0.000 1.076 1280 L CA 1.079 55.974 54.840 0.090 0.000 0.758 1280 L CB -0.384 41.747 42.059 0.120 0.000 0.890 1280 L HN 0.166 nan 8.230 nan 0.000 0.433 1281 L N -1.030 120.165 121.223 -0.048 0.000 2.446 1281 L HA -0.032 4.292 4.340 -0.027 0.000 0.219 1281 L C 2.396 179.146 176.870 -0.200 0.000 1.116 1281 L CA 1.132 55.924 54.840 -0.081 0.000 0.844 1281 L CB -0.409 41.614 42.059 -0.060 0.000 0.970 1281 L HN 0.313 nan 8.230 nan 0.000 0.457 1282 T N -3.983 110.339 114.554 -0.386 0.000 3.129 1282 T HA 0.058 4.392 4.350 -0.027 0.000 0.251 1282 T C 0.991 175.581 174.700 -0.183 0.000 1.117 1282 T CA -0.381 61.469 62.100 -0.416 0.000 1.034 1282 T CB -0.239 68.129 68.868 -0.834 0.000 0.968 1282 T HN 0.219 nan 8.240 nan 0.000 0.526 1283 R N 0.693 121.145 120.500 -0.080 0.000 3.333 1283 R HA -0.145 4.179 4.340 -0.027 0.000 0.256 1283 R C 0.910 177.218 176.300 0.013 0.000 1.010 1283 R CA 0.417 56.523 56.100 0.009 0.000 0.680 1283 R CB -2.240 28.081 30.300 0.035 0.000 1.102 1283 R HN 0.942 nan 8.270 nan 0.000 0.440 1284 G N -1.901 106.905 108.800 0.009 0.000 2.164 1284 G HA2 -0.139 3.804 3.960 -0.027 0.000 0.212 1284 G HA3 -0.139 3.804 3.960 -0.027 0.000 0.212 1284 G C 0.136 175.077 174.900 0.070 0.000 1.031 1284 G CA -0.018 45.127 45.100 0.076 0.000 0.730 1284 G HN 0.783 nan 8.290 nan 0.000 0.501 1285 A N 0.213 123.025 122.820 -0.014 0.000 2.371 1285 A HA 0.752 5.056 4.320 -0.027 0.000 0.257 1285 A C -1.627 176.085 177.584 0.213 0.000 1.089 1285 A CA -0.986 51.070 52.037 0.030 0.000 0.794 1285 A CB 0.354 19.283 19.000 -0.118 0.000 1.029 1285 A HN 0.191 nan 8.150 nan 0.000 0.488 1286 P HA 0.277 nan 4.420 nan 0.000 0.276 1286 P C -2.595 174.761 177.300 0.093 0.000 1.235 1286 P CA -1.092 62.095 63.100 0.144 0.000 0.772 1286 P CB 0.331 32.063 31.700 0.053 0.000 0.871 1287 P HA 0.101 nan 4.420 nan 0.000 0.278 1287 P C -0.569 176.404 177.300 -0.545 0.000 1.238 1287 P CA -0.224 62.436 63.100 -0.735 0.000 0.794 1287 P CB 0.202 31.231 31.700 -1.118 0.000 0.955 1288 Y N -0.848 119.161 120.300 -0.484 0.000 3.491 1288 Y HA -0.253 4.282 4.550 -0.025 0.000 0.215 1288 Y C 2.017 177.769 175.900 -0.247 0.000 1.219 1288 Y CA 0.786 58.653 58.100 -0.388 0.000 1.485 1288 Y CB -2.477 35.736 38.460 -0.410 0.000 1.450 1288 Y HN 0.449 nan 8.280 nan 0.000 0.603 1289 R N 0.462 120.878 120.500 -0.140 0.000 2.094 1289 R HA -0.181 4.143 4.340 -0.027 0.000 0.239 1289 R C 1.150 177.308 176.300 -0.237 0.000 1.137 1289 R CA 2.133 58.092 56.100 -0.235 0.000 0.943 1289 R CB -0.203 29.850 30.300 -0.411 0.000 0.850 1289 R HN 0.627 nan 8.270 nan 0.000 0.433 1290 H N -0.314 118.767 119.070 0.018 0.000 2.524 1290 H HA 0.143 4.682 4.556 -0.027 0.000 0.280 1290 H C -0.054 175.270 175.328 -0.006 0.000 1.018 1290 H CA -0.027 56.036 56.048 0.024 0.000 1.165 1290 H CB 0.276 30.047 29.762 0.016 0.000 1.411 1290 H HN 0.069 nan 8.280 nan 0.000 0.569 1291 I N 2.390 122.969 120.570 0.015 0.000 2.322 1291 I HA -0.037 4.117 4.170 -0.027 0.000 0.292 1291 I C 0.960 177.051 176.117 -0.044 0.000 1.060 1291 I CA -0.586 60.650 61.300 -0.107 0.000 1.309 1291 I CB 0.280 38.066 38.000 -0.357 0.000 1.415 1291 I HN 0.114 nan 8.210 nan 0.000 0.492 1292 D N 10.102 130.483 120.400 -0.033 0.000 2.658 1292 D HA -0.079 4.545 4.640 -0.027 0.000 0.230 1292 D C -1.349 174.858 176.300 -0.156 0.000 1.118 1292 D CA -0.638 53.315 54.000 -0.080 0.000 0.848 1292 D CB 1.527 42.314 40.800 -0.022 0.000 1.160 1292 D HN 0.326 nan 8.370 nan 0.000 0.497 1293 P HA -0.147 nan 4.420 nan 0.000 0.221 1293 P C 1.372 178.646 177.300 -0.044 0.000 1.150 1293 P CA 0.570 63.499 63.100 -0.285 0.000 0.800 1293 P CB -0.046 31.346 31.700 -0.514 0.000 0.787 1294 F N 1.637 121.493 119.950 -0.156 0.000 2.558 1294 F HA -0.030 4.483 4.527 -0.023 0.000 0.298 1294 F C 1.025 176.825 175.800 0.001 0.000 1.119 1294 F CA 1.004 58.963 58.000 -0.069 0.000 1.451 1294 F CB -0.436 38.520 39.000 -0.074 0.000 1.091 1294 F HN -0.178 nan 8.300 nan 0.000 0.563 1295 D N -0.223 120.186 120.400 0.016 0.000 2.339 1295 D HA 0.006 4.630 4.640 -0.027 0.000 0.217 1295 D C 2.387 178.702 176.300 0.025 0.000 1.050 1295 D CA 0.205 54.209 54.000 0.007 0.000 0.856 1295 D CB -0.075 40.728 40.800 0.006 0.000 0.922 1295 D HN 0.304 nan 8.370 nan 0.000 0.518 1296 L N 1.019 122.201 121.223 -0.067 0.000 2.044 1296 L HA -0.143 4.181 4.340 -0.027 0.000 0.205 1296 L C 2.258 179.066 176.870 -0.103 0.000 1.075 1296 L CA 1.567 56.318 54.840 -0.148 0.000 0.747 1296 L CB -0.511 41.421 42.059 -0.212 0.000 0.903 1296 L HN 0.128 nan 8.230 nan 0.000 0.435 1297 T N -3.858 110.601 114.554 -0.157 0.000 2.720 1297 T HA -0.247 4.087 4.350 -0.027 0.000 0.268 1297 T C 1.788 176.331 174.700 -0.261 0.000 1.037 1297 T CA 1.291 63.233 62.100 -0.263 0.000 1.144 1297 T CB -0.682 67.942 68.868 -0.408 0.000 0.864 1297 T HN 0.440 nan 8.240 nan 0.000 0.444 1298 H N -0.243 118.762 119.070 -0.108 0.000 2.333 1298 H HA 0.087 4.629 4.556 -0.024 0.000 0.302 1298 H C 2.107 177.420 175.328 -0.025 0.000 1.075 1298 H CA 1.391 57.393 56.048 -0.077 0.000 1.348 1298 H CB -0.592 29.120 29.762 -0.084 0.000 1.393 1298 H HN 0.450 nan 8.280 nan 0.000 0.509 1299 F N 1.971 121.912 119.950 -0.014 0.000 2.087 1299 F HA -0.258 4.253 4.527 -0.027 0.000 0.299 1299 F C 2.250 177.993 175.800 -0.095 0.000 1.100 1299 F CA 1.377 59.337 58.000 -0.067 0.000 1.226 1299 F CB -0.506 38.426 39.000 -0.113 0.000 0.983 1299 F HN -0.040 nan 8.300 nan 0.000 0.479 1300 L N -0.456 120.769 121.223 0.004 0.000 2.179 1300 L HA -0.057 4.267 4.340 -0.027 0.000 0.208 1300 L C 2.774 179.590 176.870 -0.090 0.000 1.096 1300 L CA 0.810 55.609 54.840 -0.067 0.000 0.779 1300 L CB -1.036 41.033 42.059 0.018 0.000 0.922 1300 L HN 0.240 nan 8.230 nan 0.000 0.443 1301 A N -0.175 122.584 122.820 -0.102 0.000 1.933 1301 A HA -0.250 4.054 4.320 -0.027 0.000 0.218 1301 A C 2.159 179.685 177.584 -0.097 0.000 1.175 1301 A CA 1.434 53.412 52.037 -0.098 0.000 0.628 1301 A CB -0.444 18.482 19.000 -0.124 0.000 0.814 1301 A HN 0.481 nan 8.150 nan 0.000 0.444 1302 Q N -1.663 118.058 119.800 -0.132 0.000 2.439 1302 Q HA 0.123 4.447 4.340 -0.027 0.000 0.211 1302 Q C 1.249 177.147 176.000 -0.169 0.000 0.978 1302 Q CA 0.631 56.345 55.803 -0.148 0.000 0.897 1302 Q CB -0.192 28.431 28.738 -0.192 0.000 0.956 1302 Q HN 0.956 nan 8.270 nan 0.000 0.483 1303 G N 0.720 109.411 108.800 -0.183 0.000 2.141 1303 G HA2 -0.250 3.694 3.960 -0.027 0.000 0.231 1303 G HA3 -0.250 3.694 3.960 -0.027 0.000 0.231 1303 G C -0.089 174.695 174.900 -0.194 0.000 0.984 1303 G CA -0.347 44.672 45.100 -0.134 0.000 0.660 1303 G HN 0.147 nan 8.290 nan 0.000 0.525 1304 R N 0.014 120.264 120.500 -0.416 0.000 2.490 1304 R HA 0.714 5.038 4.340 -0.027 0.000 0.278 1304 R C 0.412 176.531 176.300 -0.301 0.000 1.069 1304 R CA -0.249 55.552 56.100 -0.498 0.000 1.080 1304 R CB 0.695 30.372 30.300 -1.038 0.000 1.030 1304 R HN 0.171 nan 8.270 nan 0.000 0.491 1305 R N 1.095 121.584 120.500 -0.019 0.000 2.846 1305 R HA 0.399 4.722 4.340 -0.027 0.000 0.263 1305 R C -0.469 175.867 176.300 0.060 0.000 1.080 1305 R CA -1.210 54.908 56.100 0.030 0.000 0.961 1305 R CB 0.544 30.845 30.300 0.002 0.000 1.231 1305 R HN 0.400 nan 8.270 nan 0.000 0.465 1306 L N 3.851 124.850 121.223 -0.375 0.000 2.490 1306 L HA 0.158 4.482 4.340 -0.027 0.000 0.274 1306 L C -1.616 175.311 176.870 0.094 0.000 1.201 1306 L CA -1.131 53.392 54.840 -0.527 0.000 0.869 1306 L CB 0.075 41.242 42.059 -1.485 0.000 1.123 1306 L HN 0.224 nan 8.230 nan 0.000 0.484 1307 P HA -0.005 nan 4.420 nan 0.000 0.274 1307 P C -1.064 176.330 177.300 0.157 0.000 1.231 1307 P CA -0.601 62.619 63.100 0.199 0.000 0.790 1307 P CB 0.728 32.521 31.700 0.154 0.000 0.951 1308 Q N 3.106 122.662 119.800 -0.406 0.000 2.255 1308 Q HA 0.116 4.440 4.340 -0.027 0.000 0.280 1308 Q C -1.940 173.922 176.000 -0.229 0.000 1.068 1308 Q CA -1.294 54.075 55.803 -0.724 0.000 0.911 1308 Q CB -0.296 27.808 28.738 -1.056 0.000 1.157 1308 Q HN 0.298 nan 8.270 nan 0.000 0.380 1309 P HA -0.067 nan 4.420 nan 0.000 0.267 1309 P C 0.075 177.247 177.300 -0.213 0.000 1.200 1309 P CA 0.037 63.017 63.100 -0.200 0.000 0.772 1309 P CB 0.677 32.216 31.700 -0.269 0.000 0.855 1310 E N 0.944 120.968 120.200 -0.293 0.000 2.068 1310 E HA -0.251 4.083 4.350 -0.027 0.000 0.207 1310 E C 0.456 176.780 176.600 -0.461 0.000 1.032 1310 E CA 1.817 57.927 56.400 -0.483 0.000 0.839 1310 E CB -0.253 28.963 29.700 -0.807 0.000 0.758 1310 E HN 0.534 nan 8.360 nan 0.000 0.457 1311 Y N -1.149 119.128 120.300 -0.038 0.000 2.571 1311 Y HA 0.166 4.700 4.550 -0.027 0.000 0.275 1311 Y C 0.358 176.292 175.900 0.057 0.000 1.179 1311 Y CA -0.647 57.469 58.100 0.026 0.000 1.242 1311 Y CB 0.061 38.567 38.460 0.076 0.000 1.126 1311 Y HN 0.041 nan 8.280 nan 0.000 0.524 1312 C N 3.946 123.294 119.300 0.081 0.000 2.482 1312 C HA 0.414 4.858 4.460 -0.027 0.000 0.378 1312 C C -2.094 172.941 174.990 0.074 0.000 1.284 1312 C CA -2.372 56.687 59.018 0.068 0.000 1.826 1312 C CB -0.308 27.446 27.740 0.024 0.000 2.473 1312 C HN 0.198 nan 8.230 nan 0.000 0.562 1313 P HA 0.080 nan 4.420 nan 0.000 0.266 1313 P C 0.370 177.727 177.300 0.095 0.000 1.193 1313 P CA 0.435 63.584 63.100 0.083 0.000 0.770 1313 P CB 0.588 32.327 31.700 0.063 0.000 0.836 1314 D N 0.502 120.955 120.400 0.087 0.000 2.149 1314 D HA -0.148 4.476 4.640 -0.027 0.000 0.198 1314 D C 1.859 178.229 176.300 0.116 0.000 0.990 1314 D CA 1.924 55.993 54.000 0.115 0.000 0.839 1314 D CB -0.537 40.312 40.800 0.082 0.000 0.948 1314 D HN 0.412 nan 8.370 nan 0.000 0.460 1315 S N 0.293 116.036 115.700 0.071 0.000 2.368 1315 S HA -0.126 4.328 4.470 -0.027 0.000 0.224 1315 S C 1.973 176.592 174.600 0.032 0.000 1.029 1315 S CA 0.451 58.675 58.200 0.041 0.000 0.988 1315 S CB -0.596 62.620 63.200 0.027 0.000 0.838 1315 S HN 0.178 nan 8.310 nan 0.000 0.462 1316 L N 0.252 121.505 121.223 0.051 0.000 2.201 1316 L HA 0.115 4.439 4.340 -0.027 0.000 0.212 1316 L C 2.239 179.136 176.870 0.045 0.000 1.105 1316 L CA 1.429 56.292 54.840 0.038 0.000 0.775 1316 L CB -1.022 41.067 42.059 0.049 0.000 0.913 1316 L HN 0.405 nan 8.230 nan 0.000 0.440 1317 Y N -0.106 120.174 120.300 -0.033 0.000 2.314 1317 Y HA -0.187 4.348 4.550 -0.025 0.000 0.293 1317 Y C 2.501 178.349 175.900 -0.086 0.000 1.129 1317 Y CA 1.660 59.737 58.100 -0.039 0.000 1.201 1317 Y CB -0.153 38.321 38.460 0.024 0.000 0.999 1317 Y HN 0.344 nan 8.280 nan 0.000 0.541 1318 Q N -1.012 118.731 119.800 -0.096 0.000 2.119 1318 Q HA -0.157 4.167 4.340 -0.027 0.000 0.201 1318 Q C 2.323 178.186 176.000 -0.228 0.000 0.972 1318 Q CA 1.784 57.484 55.803 -0.172 0.000 0.847 1318 Q CB -0.236 28.465 28.738 -0.061 0.000 0.903 1318 Q HN 0.349 nan 8.270 nan 0.000 0.433 1319 V N 0.941 120.748 119.914 -0.179 0.000 2.233 1319 V HA -0.336 3.768 4.120 -0.027 0.000 0.247 1319 V C 2.213 178.084 176.094 -0.372 0.000 1.050 1319 V CA 1.983 64.168 62.300 -0.192 0.000 1.010 1319 V CB -0.492 31.275 31.823 -0.093 0.000 0.637 1319 V HN 0.434 nan 8.190 nan 0.000 0.444 1320 M N -0.849 118.451 119.600 -0.500 0.000 2.108 1320 M HA -0.328 4.136 4.480 -0.027 0.000 0.257 1320 M C 2.306 177.792 176.300 -1.356 0.000 1.071 1320 M CA 2.083 56.783 55.300 -1.001 0.000 1.093 1320 M CB -0.543 31.514 32.600 -0.904 0.000 1.345 1320 M HN 0.379 nan 8.290 nan 0.000 0.403 1321 Q N -0.219 119.054 119.800 -0.879 0.000 2.079 1321 Q HA -0.206 4.118 4.340 -0.027 0.000 0.200 1321 Q C 2.078 177.853 176.000 -0.375 0.000 0.974 1321 Q CA 1.374 56.846 55.803 -0.552 0.000 0.840 1321 Q CB -0.165 28.310 28.738 -0.438 0.000 0.898 1321 Q HN 0.614 nan 8.270 nan 0.000 0.430 1322 Q N -0.347 119.247 119.800 -0.342 0.000 2.135 1322 Q HA -0.179 4.145 4.340 -0.027 0.000 0.204 1322 Q C 2.241 178.101 176.000 -0.235 0.000 0.981 1322 Q CA 1.396 57.065 55.803 -0.224 0.000 0.856 1322 Q CB -0.175 28.457 28.738 -0.178 0.000 0.902 1322 Q HN 0.431 nan 8.270 nan 0.000 0.425 1323 C N -0.637 118.426 119.300 -0.397 0.000 2.432 1323 C HA -0.106 4.338 4.460 -0.027 0.000 0.280 1323 C C 1.455 176.277 174.990 -0.279 0.000 1.353 1323 C CA 0.085 58.890 59.018 -0.355 0.000 1.766 1323 C CB -0.797 26.635 27.740 -0.513 0.000 1.924 1323 C HN 0.631 nan 8.230 nan 0.000 0.509 1324 W N 0.954 122.010 121.300 -0.407 0.000 3.239 1324 W HA 0.297 4.939 4.660 -0.031 0.000 0.368 1324 W C 0.543 176.890 176.519 -0.287 0.000 1.154 1324 W CA -0.615 56.260 57.345 -0.784 0.000 1.860 1324 W CB -0.908 27.961 29.460 -0.984 0.000 1.094 1324 W HN 0.324 nan 8.180 nan 0.000 0.643 1325 E N 0.478 120.719 120.200 0.068 0.000 2.502 1325 E HA 0.033 4.367 4.350 -0.027 0.000 0.261 1325 E C 1.214 177.955 176.600 0.235 0.000 0.974 1325 E CA 0.353 56.817 56.400 0.106 0.000 0.936 1325 E CB 1.250 30.977 29.700 0.045 0.000 0.926 1325 E HN 0.042 nan 8.360 nan 0.000 0.459 1326 A N 3.541 126.473 122.820 0.187 0.000 2.067 1326 A HA -0.095 4.208 4.320 -0.027 0.000 0.217 1326 A C 0.858 178.503 177.584 0.101 0.000 1.156 1326 A CA 0.364 52.512 52.037 0.185 0.000 0.683 1326 A CB 0.207 19.268 19.000 0.103 0.000 0.808 1326 A HN 0.439 nan 8.150 nan 0.000 0.455 1327 D N 0.055 120.499 120.400 0.074 0.000 2.339 1327 D HA 0.210 4.834 4.640 -0.027 0.000 0.241 1327 D C -1.605 174.730 176.300 0.058 0.000 1.183 1327 D CA -2.141 51.884 54.000 0.041 0.000 0.859 1327 D CB 1.345 42.158 40.800 0.021 0.000 1.067 1327 D HN 0.060 nan 8.370 nan 0.000 0.484 1328 P HA -0.140 nan 4.420 nan 0.000 0.218 1328 P C 0.988 178.310 177.300 0.037 0.000 1.148 1328 P CA 0.851 63.987 63.100 0.061 0.000 0.822 1328 P CB 0.186 31.907 31.700 0.034 0.000 0.784 1329 A N -0.319 122.512 122.820 0.018 0.000 2.067 1329 A HA -0.063 4.241 4.320 -0.027 0.000 0.219 1329 A C 2.248 179.832 177.584 0.001 0.000 1.158 1329 A CA 1.272 53.313 52.037 0.006 0.000 0.661 1329 A CB -1.411 17.589 19.000 0.001 0.000 0.801 1329 A HN 0.106 nan 8.150 nan 0.000 0.452 1330 V N 0.069 119.987 119.914 0.006 0.000 3.129 1330 V HA -0.026 4.078 4.120 -0.027 0.000 0.259 1330 V C 1.140 177.224 176.094 -0.016 0.000 1.116 1330 V CA 0.465 62.763 62.300 -0.004 0.000 1.127 1330 V CB -0.795 31.028 31.823 0.000 0.000 0.742 1330 V HN 0.444 nan 8.190 nan 0.000 0.474 1331 R N 1.700 122.195 120.500 -0.009 0.000 2.594 1331 R HA 0.219 4.543 4.340 -0.027 0.000 0.272 1331 R C -2.183 174.074 176.300 -0.071 0.000 1.074 1331 R CA -1.325 54.753 56.100 -0.036 0.000 1.105 1331 R CB -0.069 30.229 30.300 -0.004 0.000 1.008 1331 R HN 0.206 nan 8.270 nan 0.000 0.472 1332 P HA 0.006 nan 4.420 nan 0.000 0.274 1332 P C -0.453 176.738 177.300 -0.182 0.000 1.246 1332 P CA -0.369 62.660 63.100 -0.117 0.000 0.795 1332 P CB 0.564 32.197 31.700 -0.113 0.000 1.006 1333 T N -2.148 112.321 114.554 -0.141 0.000 2.882 1333 T HA 0.241 4.575 4.350 -0.027 0.000 0.287 1333 T C 1.026 175.613 174.700 -0.188 0.000 1.014 1333 T CA -0.271 61.740 62.100 -0.147 0.000 1.049 1333 T CB -0.068 68.777 68.868 -0.038 0.000 1.001 1333 T HN 0.106 nan 8.240 nan 0.000 0.525 1334 F N 0.023 119.928 119.950 -0.076 0.000 2.269 1334 F HA 0.101 4.613 4.527 -0.026 0.000 0.301 1334 F C 2.754 178.496 175.800 -0.097 0.000 1.082 1334 F CA 0.861 58.775 58.000 -0.143 0.000 1.360 1334 F CB -0.504 38.394 39.000 -0.170 0.000 1.041 1334 F HN 0.594 nan 8.300 nan 0.000 0.512 1335 R N 0.344 120.905 120.500 0.102 0.000 2.073 1335 R HA -0.127 4.197 4.340 -0.027 0.000 0.234 1335 R C 2.026 178.345 176.300 0.033 0.000 1.134 1335 R CA 1.621 57.758 56.100 0.061 0.000 0.952 1335 R CB -0.549 29.779 30.300 0.048 0.000 0.850 1335 R HN 0.160 nan 8.270 nan 0.000 0.433 1336 V N 1.266 121.185 119.914 0.008 0.000 2.427 1336 V HA -0.210 3.894 4.120 -0.027 0.000 0.248 1336 V C 2.336 178.429 176.094 -0.001 0.000 1.051 1336 V CA 1.559 63.856 62.300 -0.005 0.000 1.048 1336 V CB -0.360 31.449 31.823 -0.024 0.000 0.666 1336 V HN 0.338 nan 8.190 nan 0.000 0.456 1337 L N -0.424 120.790 121.223 -0.015 0.000 2.083 1337 L HA -0.155 4.169 4.340 -0.027 0.000 0.209 1337 L C 2.446 179.347 176.870 0.051 0.000 1.083 1337 L CA 1.113 55.959 54.840 0.011 0.000 0.752 1337 L CB -0.620 41.405 42.059 -0.057 0.000 0.899 1337 L HN 0.209 nan 8.230 nan 0.000 0.433 1338 V N -0.007 119.934 119.914 0.044 0.000 2.343 1338 V HA -0.199 3.905 4.120 -0.027 0.000 0.247 1338 V C 2.601 178.725 176.094 0.050 0.000 1.051 1338 V CA 1.962 64.295 62.300 0.055 0.000 1.036 1338 V CB -1.307 30.547 31.823 0.051 0.000 0.654 1338 V HN 0.564 nan 8.190 nan 0.000 0.451 1339 G N -0.630 108.192 108.800 0.037 0.000 2.433 1339 G HA2 -0.226 3.718 3.960 -0.027 0.000 0.216 1339 G HA3 -0.226 3.718 3.960 -0.027 0.000 0.216 1339 G C 1.499 176.415 174.900 0.027 0.000 1.186 1339 G CA 0.862 45.978 45.100 0.028 0.000 0.779 1339 G HN 0.541 nan 8.290 nan 0.000 0.543 1340 E N -0.283 119.933 120.200 0.027 0.000 2.051 1340 E HA -0.080 4.254 4.350 -0.027 0.000 0.192 1340 E C 2.787 179.409 176.600 0.038 0.000 0.991 1340 E CA 1.004 57.419 56.400 0.024 0.000 0.799 1340 E CB -0.105 29.604 29.700 0.016 0.000 0.748 1340 E HN 0.272 nan 8.360 nan 0.000 0.449 1341 V N 1.265 121.218 119.914 0.064 0.000 2.427 1341 V HA -0.250 3.854 4.120 -0.027 0.000 0.248 1341 V C 2.313 178.440 176.094 0.054 0.000 1.051 1341 V CA 1.932 64.280 62.300 0.080 0.000 1.048 1341 V CB -0.445 31.468 31.823 0.150 0.000 0.666 1341 V HN 0.296 nan 8.190 nan 0.000 0.456 1342 E N -0.317 119.912 120.200 0.048 0.000 2.051 1342 E HA -0.287 4.047 4.350 -0.027 0.000 0.192 1342 E C 2.370 178.980 176.600 0.016 0.000 0.991 1342 E CA 1.298 57.716 56.400 0.030 0.000 0.799 1342 E CB -0.132 29.586 29.700 0.030 0.000 0.748 1342 E HN 0.470 nan 8.360 nan 0.000 0.449 1343 Q N 0.590 120.400 119.800 0.016 0.000 2.096 1343 Q HA -0.176 4.148 4.340 -0.027 0.000 0.204 1343 Q C 2.245 178.247 176.000 0.005 0.000 0.982 1343 Q CA 1.370 57.178 55.803 0.009 0.000 0.850 1343 Q CB -0.232 28.511 28.738 0.009 0.000 0.901 1343 Q HN 0.451 nan 8.270 nan 0.000 0.422 1344 I N -0.363 120.213 120.570 0.010 0.000 2.179 1344 I HA -0.273 3.881 4.170 -0.027 0.000 0.242 1344 I C 2.340 178.453 176.117 -0.007 0.000 1.088 1344 I CA 0.748 62.052 61.300 0.006 0.000 1.357 1344 I CB -0.316 37.693 38.000 0.016 0.000 1.051 1344 I HN -0.030 nan 8.210 nan 0.000 0.409 1345 V N 0.912 120.822 119.914 -0.008 0.000 2.332 1345 V HA -0.302 3.801 4.120 -0.027 0.000 0.248 1345 V C 2.627 178.701 176.094 -0.034 0.000 1.055 1345 V CA 2.384 64.668 62.300 -0.027 0.000 1.038 1345 V CB -0.867 30.941 31.823 -0.026 0.000 0.651 1345 V HN 0.630 nan 8.190 nan 0.000 0.450 1346 S N 0.857 116.543 115.700 -0.022 0.000 2.395 1346 S HA -0.010 4.444 4.470 -0.027 0.000 0.225 1346 S C 2.053 176.639 174.600 -0.023 0.000 1.027 1346 S CA 1.003 59.189 58.200 -0.023 0.000 0.965 1346 S CB -0.429 62.761 63.200 -0.015 0.000 0.812 1346 S HN 0.549 nan 8.310 nan 0.000 0.482 1347 A N 0.995 123.805 122.820 -0.016 0.000 2.121 1347 A HA 0.299 4.602 4.320 -0.027 0.000 0.218 1347 A C 0.954 178.526 177.584 -0.020 0.000 1.154 1347 A CA 0.204 52.233 52.037 -0.014 0.000 0.679 1347 A CB -0.746 18.251 19.000 -0.006 0.000 0.795 1347 A HN 0.508 nan 8.150 nan 0.000 0.458 1348 L N 0.705 121.910 121.223 -0.031 0.000 2.559 1348 L HA 0.105 4.429 4.340 -0.027 0.000 0.274 1348 L C -0.231 176.609 176.870 -0.050 0.000 1.205 1348 L CA 0.615 55.428 54.840 -0.045 0.000 0.907 1348 L CB 0.300 42.316 42.059 -0.071 0.000 1.153 1348 L HN 0.296 nan 8.230 nan 0.000 0.490 1349 L N 6.170 127.370 121.223 -0.039 0.000 2.255 1349 L HA 0.575 4.899 4.340 -0.027 0.000 0.289 1349 L C 0.920 177.760 176.870 -0.050 0.000 1.046 1349 L CA -0.188 54.632 54.840 -0.033 0.000 0.816 1349 L CB 0.341 42.395 42.059 -0.010 0.000 1.197 1349 L HN 0.888 nan 8.230 nan 0.000 0.427 1350 G N 2.894 111.652 108.800 -0.069 0.000 2.877 1350 G HA2 -0.182 3.762 3.960 -0.027 0.000 0.279 1350 G HA3 -0.182 3.762 3.960 -0.027 0.000 0.279 1350 G C -1.122 173.655 174.900 -0.206 0.000 1.431 1350 G CA -0.420 44.622 45.100 -0.097 0.000 0.883 1350 G HN 0.702 nan 8.290 nan 0.000 0.547 1351 D N -1.030 119.203 120.400 -0.277 0.000 2.654 1351 D HA 0.627 5.251 4.640 -0.027 0.000 0.231 1351 D C -0.437 175.568 176.300 -0.492 0.000 1.239 1351 D CA -0.169 53.549 54.000 -0.470 0.000 0.790 1351 D CB 1.370 41.975 40.800 -0.324 0.000 1.480 1351 D HN 1.000 nan 8.370 nan 0.000 0.442 1352 H N -1.019 117.895 119.070 -0.260 0.000 3.008 1352 H HA 0.500 5.040 4.556 -0.027 0.000 0.354 1352 H C -1.018 174.081 175.328 -0.381 0.000 1.252 1352 H CA -0.837 55.006 56.048 -0.343 0.000 1.117 1352 H CB 0.043 29.625 29.762 -0.300 0.000 1.857 1352 H HN 0.148 nan 8.280 nan 0.000 0.547 1353 Y N 0.208 120.470 120.300 -0.063 0.000 2.397 1353 Y HA 0.379 4.913 4.550 -0.027 0.000 0.335 1353 Y C 0.317 176.123 175.900 -0.158 0.000 1.213 1353 Y CA -0.289 57.757 58.100 -0.091 0.000 1.391 1353 Y CB 0.697 39.110 38.460 -0.079 0.000 1.293 1353 Y HN 0.355 nan 8.280 nan 0.000 0.557 1354 V N 3.600 123.579 119.914 0.109 0.000 2.581 1354 V HA 0.294 4.398 4.120 -0.027 0.000 0.303 1354 V C -0.070 176.104 176.094 0.134 0.000 1.041 1354 V CA -1.142 61.236 62.300 0.129 0.000 0.907 1354 V CB 1.502 33.421 31.823 0.159 0.000 0.994 1354 V HN 0.672 nan 8.190 nan 0.000 0.442 1355 Q N 2.155 122.051 119.800 0.160 0.000 2.169 1355 Q HA 0.617 4.941 4.340 -0.027 0.000 0.234 1355 Q C -0.724 175.316 176.000 0.067 0.000 0.980 1355 Q CA -0.674 55.189 55.803 0.100 0.000 0.941 1355 Q CB 2.104 30.910 28.738 0.113 0.000 1.199 1355 Q HN 0.544 nan 8.270 nan 0.000 0.496 1356 L N 1.833 123.079 121.223 0.037 0.000 2.379 1356 L HA 0.384 4.707 4.340 -0.027 0.000 0.269 1356 L C -1.543 175.334 176.870 0.010 0.000 1.084 1356 L CA -1.570 53.282 54.840 0.019 0.000 0.802 1356 L CB 0.287 42.354 42.059 0.014 0.000 1.175 1356 L HN 0.512 nan 8.230 nan 0.000 0.448 1357 P HA 0.000 nan 4.420 nan 0.000 0.216 1357 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 1357 P CB 0.000 31.691 31.700 -0.016 0.000 0.726