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 1rc6_1_B DATA FIRST_RESID 1009 DATA SEQUENCE GYREDLLANR AIVKHGNFAL LTPDGLVKNI IPGFENCDAT ILSTPKLGAS DATA SEQUENCE FVDYLVTLHQ NGGNQQGFGG EGIETFLYVI SGNITAKAEG KTFALSEGGY DATA SEQUENCE LYCPPGSLMT FVNAQAEDSQ IFLYKRRYVP VEGYAPWLVS GNASELERIX DATA SEQUENCE XXXXXXVILL DFLPKELGFD MNMHILSFAP GASHGYIETH VQEHGAYILS DATA SEQUENCE GQGVYNLDNN WIPVKKGDYI FMGAYSLQAG YGVXXXXAFS YIYSKDCNRD DATA SEQUENCE VEI 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 1009 G HA2 0.000 nan 3.960 nan 0.000 0.244 1009 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1009 G C 0.000 174.845 174.900 -0.091 0.000 0.946 1009 G CA 0.000 45.029 45.100 -0.118 0.000 0.502 1010 Y N 1.445 121.748 120.300 0.005 0.000 2.436 1010 Y HA 0.290 4.840 4.550 -0.000 0.000 0.336 1010 Y C 2.137 178.040 175.900 0.005 0.000 1.049 1010 Y CA -0.311 57.793 58.100 0.006 0.000 1.294 1010 Y CB 1.378 39.843 38.460 0.008 0.000 1.179 1010 Y HN 0.712 nan 8.280 nan 0.000 0.520 1011 R N 2.155 122.764 120.500 0.181 0.000 2.133 1011 R HA -0.280 4.060 4.340 -0.000 0.000 0.247 1011 R C 1.942 178.289 176.300 0.079 0.000 1.151 1011 R CA 2.223 58.381 56.100 0.096 0.000 0.971 1011 R CB -0.025 30.319 30.300 0.073 0.000 0.866 1011 R HN 0.926 nan 8.270 nan 0.000 0.447 1012 E N 0.073 120.324 120.200 0.085 0.000 2.051 1012 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 1012 E C 1.152 177.782 176.600 0.050 0.000 0.991 1012 E CA 1.698 58.123 56.400 0.041 0.000 0.799 1012 E CB -0.032 29.664 29.700 -0.008 0.000 0.748 1012 E HN 0.406 nan 8.360 nan 0.000 0.449 1013 D N 0.315 120.766 120.400 0.086 0.000 2.218 1013 D HA -0.143 4.497 4.640 -0.000 0.000 0.204 1013 D C 1.991 178.326 176.300 0.059 0.000 0.976 1013 D CA 0.577 54.624 54.000 0.078 0.000 0.853 1013 D CB -0.018 40.853 40.800 0.118 0.000 0.939 1013 D HN 0.210 nan 8.370 nan 0.000 0.481 1014 L N 0.408 121.666 121.223 0.059 0.000 2.017 1014 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 1014 L C 2.327 179.216 176.870 0.032 0.000 1.073 1014 L CA 1.141 56.006 54.840 0.041 0.000 0.745 1014 L CB -0.717 41.364 42.059 0.037 0.000 0.894 1014 L HN 0.036 nan 8.230 nan 0.000 0.432 1015 L N -0.579 120.661 121.223 0.030 0.000 2.650 1015 L HA 0.131 4.471 4.340 -0.000 0.000 0.235 1015 L C 0.981 177.865 176.870 0.024 0.000 1.149 1015 L CA -0.428 54.425 54.840 0.021 0.000 0.887 1015 L CB -0.736 41.331 42.059 0.013 0.000 1.021 1015 L HN 0.127 nan 8.230 nan 0.000 0.441 1016 A N 0.715 123.552 122.820 0.029 0.000 2.440 1016 A HA 0.284 4.604 4.320 -0.000 0.000 0.251 1016 A C 0.359 177.960 177.584 0.028 0.000 1.089 1016 A CA -0.207 51.847 52.037 0.028 0.000 0.779 1016 A CB 0.017 19.035 19.000 0.030 0.000 1.022 1016 A HN 0.549 nan 8.150 nan 0.000 0.492 1017 N N 1.221 119.937 118.700 0.028 0.000 2.623 1017 N HA -0.122 4.618 4.740 -0.000 0.000 0.271 1017 N C 0.141 175.669 175.510 0.031 0.000 1.206 1017 N CA 0.928 53.995 53.050 0.028 0.000 0.666 1017 N CB -0.626 37.876 38.487 0.026 0.000 0.887 1017 N HN 0.849 nan 8.380 nan 0.000 0.554 1018 R N -0.273 120.247 120.500 0.034 0.000 2.487 1018 R HA 0.248 4.588 4.340 -0.000 0.000 0.272 1018 R C 0.642 176.969 176.300 0.046 0.000 0.928 1018 R CA 0.235 56.360 56.100 0.041 0.000 1.077 1018 R CB 0.633 30.956 30.300 0.037 0.000 1.265 1018 R HN 0.391 nan 8.270 nan 0.000 0.537 1019 A N 2.350 125.192 122.820 0.036 0.000 2.517 1019 A HA 0.052 4.372 4.320 -0.000 0.000 0.284 1019 A C -0.053 177.535 177.584 0.006 0.000 1.195 1019 A CA 0.363 52.417 52.037 0.029 0.000 0.873 1019 A CB -0.643 18.372 19.000 0.025 0.000 1.055 1019 A HN 0.234 nan 8.150 nan 0.000 0.538 1020 I N 3.039 123.606 120.570 -0.004 0.000 2.693 1020 I HA 0.719 4.889 4.170 -0.000 0.000 0.303 1020 I C -0.567 175.412 176.117 -0.229 0.000 1.025 1020 I CA -0.848 60.411 61.300 -0.069 0.000 1.086 1020 I CB 2.246 40.249 38.000 0.004 0.000 1.268 1020 I HN 0.284 nan 8.210 nan 0.000 0.440 1021 V N 6.461 126.190 119.914 -0.308 0.000 2.925 1021 V HA 0.606 4.726 4.120 -0.000 0.000 0.311 1021 V C -0.418 175.384 176.094 -0.487 0.000 1.104 1021 V CA -0.738 61.283 62.300 -0.465 0.000 0.954 1021 V CB 2.190 33.762 31.823 -0.418 0.000 1.022 1021 V HN 0.652 nan 8.190 nan 0.000 0.427 1022 K N 2.220 122.284 120.400 -0.560 0.000 3.257 1022 K HA 0.258 4.578 4.320 -0.000 0.000 0.196 1022 K C -0.221 176.322 176.600 -0.096 0.000 1.089 1022 K CA -0.568 55.548 56.287 -0.284 0.000 0.959 1022 K CB 0.101 32.432 32.500 -0.281 0.000 0.719 1022 K HN 0.876 nan 8.250 nan 0.000 0.446 1023 H N 0.704 119.754 119.070 -0.033 0.000 3.010 1023 H HA -0.245 4.311 4.556 -0.000 0.000 0.257 1023 H C 1.419 176.810 175.328 0.106 0.000 0.791 1023 H CA 2.220 58.291 56.048 0.040 0.000 1.444 1023 H CB -0.017 29.747 29.762 0.004 0.000 1.227 1023 H HN 0.773 nan 8.280 nan 0.000 0.526 1024 G N 2.823 111.807 108.800 0.308 0.000 2.304 1024 G HA2 -0.389 3.570 3.960 -0.000 0.000 0.252 1024 G HA3 -0.389 3.570 3.960 -0.000 0.000 0.252 1024 G C 1.088 176.130 174.900 0.235 0.000 1.014 1024 G CA 0.814 46.089 45.100 0.292 0.000 0.619 1024 G HN 0.638 nan 8.290 nan 0.000 0.525 1025 N N -1.134 117.682 118.700 0.193 0.000 2.517 1025 N HA 0.497 5.237 4.740 -0.000 0.000 0.202 1025 N C 0.464 176.097 175.510 0.205 0.000 1.042 1025 N CA 0.813 53.966 53.050 0.173 0.000 0.952 1025 N CB 0.530 39.137 38.487 0.200 0.000 1.211 1025 N HN 0.794 nan 8.380 nan 0.000 0.458 1026 F N -0.985 118.988 119.950 0.037 0.000 2.807 1026 F HA 0.723 5.250 4.527 -0.000 0.000 0.316 1026 F C -2.295 173.570 175.800 0.108 0.000 1.162 1026 F CA -1.151 56.862 58.000 0.022 0.000 0.910 1026 F CB 1.050 40.031 39.000 -0.033 0.000 1.314 1026 F HN -0.103 nan 8.300 nan 0.000 0.454 1027 A N 2.781 125.607 122.820 0.010 0.000 2.540 1027 A HA 0.643 4.963 4.320 -0.000 0.000 0.297 1027 A C -2.633 175.029 177.584 0.129 0.000 1.056 1027 A CA -0.632 51.318 52.037 -0.146 0.000 0.700 1027 A CB 1.820 20.815 19.000 -0.008 0.000 1.280 1027 A HN 1.307 nan 8.150 nan 0.000 0.398 1028 L N 3.557 124.831 121.223 0.085 0.000 2.298 1028 L HA 0.731 5.071 4.340 -0.000 0.000 0.284 1028 L C -1.839 175.093 176.870 0.104 0.000 1.013 1028 L CA -0.507 54.413 54.840 0.133 0.000 0.824 1028 L CB 0.852 43.007 42.059 0.160 0.000 1.221 1028 L HN 0.656 nan 8.230 nan 0.000 0.418 1029 L N 4.132 125.453 121.223 0.163 0.000 2.342 1029 L HA 0.570 4.910 4.340 -0.000 0.000 0.271 1029 L C 0.393 177.357 176.870 0.157 0.000 1.008 1029 L CA -0.156 54.781 54.840 0.162 0.000 0.818 1029 L CB 2.165 44.362 42.059 0.230 0.000 1.296 1029 L HN 0.531 nan 8.230 nan 0.000 0.427 1030 T N 3.574 118.195 114.554 0.111 0.000 3.331 1030 T HA 0.219 4.569 4.350 -0.000 0.000 0.381 1030 T C -1.778 172.984 174.700 0.102 0.000 1.656 1030 T CA -0.836 61.325 62.100 0.101 0.000 1.453 1030 T CB 0.828 69.736 68.868 0.066 0.000 1.066 1030 T HN 0.423 nan 8.240 nan 0.000 0.655 1031 P HA -0.249 nan 4.420 nan 0.000 0.221 1031 P C 0.534 177.886 177.300 0.086 0.000 1.151 1031 P CA 1.487 64.653 63.100 0.109 0.000 0.843 1031 P CB 0.319 32.117 31.700 0.164 0.000 0.778 1032 D N 0.421 120.875 120.400 0.091 0.000 2.077 1032 D HA -0.071 4.568 4.640 -0.000 0.000 0.193 1032 D C 1.971 178.302 176.300 0.053 0.000 0.989 1032 D CA 1.617 55.660 54.000 0.072 0.000 0.831 1032 D CB -1.419 39.421 40.800 0.067 0.000 0.979 1032 D HN 0.167 nan 8.370 nan 0.000 0.449 1033 G N 0.278 109.106 108.800 0.048 0.000 3.325 1033 G HA2 0.326 4.286 3.960 -0.000 0.000 0.242 1033 G HA3 0.326 4.286 3.960 -0.000 0.000 0.242 1033 G C -0.327 174.592 174.900 0.032 0.000 1.120 1033 G CA 0.006 45.128 45.100 0.036 0.000 1.778 1033 G HN 0.088 nan 8.290 nan 0.000 0.610 1034 L N -0.108 121.134 121.223 0.031 0.000 2.409 1034 L HA 0.371 4.711 4.340 -0.000 0.000 0.262 1034 L C -0.153 176.726 176.870 0.016 0.000 0.992 1034 L CA -1.263 53.588 54.840 0.020 0.000 0.817 1034 L CB 2.541 44.611 42.059 0.017 0.000 1.350 1034 L HN -0.153 nan 8.230 nan 0.000 0.411 1035 V N 1.796 121.714 119.914 0.007 0.000 2.715 1035 V HA 0.193 4.313 4.120 -0.000 0.000 0.299 1035 V C 0.325 176.419 176.094 0.001 0.000 1.054 1035 V CA -0.857 61.447 62.300 0.006 0.000 1.077 1035 V CB 0.651 32.475 31.823 0.001 0.000 0.972 1035 V HN 0.572 nan 8.190 nan 0.000 0.484 1036 K N 2.944 123.348 120.400 0.007 0.000 2.258 1036 K HA 0.294 4.614 4.320 -0.000 0.000 0.264 1036 K C -0.217 176.375 176.600 -0.012 0.000 1.007 1036 K CA -0.243 56.045 56.287 0.001 0.000 0.941 1036 K CB 0.244 32.756 32.500 0.019 0.000 0.966 1036 K HN 0.593 nan 8.250 nan 0.000 0.480 1037 N N 1.878 120.560 118.700 -0.031 0.000 2.400 1037 N HA 0.237 4.977 4.740 -0.000 0.000 0.288 1037 N C -0.419 175.065 175.510 -0.043 0.000 1.024 1037 N CA -0.541 52.483 53.050 -0.042 0.000 0.894 1037 N CB 1.275 39.723 38.487 -0.065 0.000 1.173 1037 N HN 0.256 nan 8.380 nan 0.000 0.487 1038 I N 4.089 124.646 120.570 -0.020 0.000 2.291 1038 I HA 0.293 4.462 4.170 -0.000 0.000 0.292 1038 I C 0.335 176.450 176.117 -0.002 0.000 1.064 1038 I CA -0.213 61.087 61.300 -0.000 0.000 1.269 1038 I CB -0.240 37.770 38.000 0.016 0.000 1.418 1038 I HN 0.293 nan 8.210 nan 0.000 0.485 1039 I N 8.933 129.492 120.570 -0.017 0.000 2.362 1039 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 1039 I C -1.966 174.268 176.117 0.194 0.000 0.994 1039 I CA -1.959 59.351 61.300 0.017 0.000 1.158 1039 I CB 1.914 39.772 38.000 -0.237 0.000 1.315 1039 I HN 0.283 nan 8.210 nan 0.000 0.451 1040 P HA 0.007 nan 4.420 nan 0.000 0.264 1040 P C 0.792 178.230 177.300 0.231 0.000 1.183 1040 P CA 0.808 64.003 63.100 0.158 0.000 0.763 1040 P CB 0.883 32.642 31.700 0.099 0.000 0.807 1041 G N 2.061 110.937 108.800 0.127 0.000 2.254 1041 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.225 1041 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.225 1041 G C -0.249 174.564 174.900 -0.144 0.000 1.003 1041 G CA -0.515 44.571 45.100 -0.024 0.000 0.622 1041 G HN 0.421 nan 8.290 nan 0.000 0.507 1042 F N 2.800 122.723 119.950 -0.045 0.000 2.404 1042 F HA 0.629 5.156 4.527 -0.000 0.000 0.358 1042 F C 0.404 176.191 175.800 -0.023 0.000 1.120 1042 F CA -0.762 57.209 58.000 -0.048 0.000 1.144 1042 F CB 1.220 40.205 39.000 -0.025 0.000 1.133 1042 F HN -0.071 nan 8.300 nan 0.000 0.495 1043 E N 2.695 122.934 120.200 0.064 0.000 2.207 1043 E HA 0.245 4.595 4.350 -0.000 0.000 0.270 1043 E C -0.246 176.404 176.600 0.084 0.000 0.927 1043 E CA -0.788 55.647 56.400 0.058 0.000 0.799 1043 E CB 1.180 30.880 29.700 0.000 0.000 1.172 1043 E HN 0.482 nan 8.360 nan 0.000 0.404 1044 N N 0.232 118.994 118.700 0.104 0.000 2.699 1044 N HA -0.194 4.546 4.740 -0.000 0.000 0.256 1044 N C -0.328 175.314 175.510 0.220 0.000 0.993 1044 N CA 1.199 54.341 53.050 0.153 0.000 0.759 1044 N CB -1.737 36.818 38.487 0.113 0.000 0.906 1044 N HN 0.651 nan 8.380 nan 0.000 0.541 1045 C N -2.774 116.654 119.300 0.214 0.000 3.302 1045 C HA 0.456 4.916 4.460 -0.000 0.000 0.347 1045 C C -1.186 173.863 174.990 0.099 0.000 1.218 1045 C CA -1.310 57.755 59.018 0.078 0.000 1.234 1045 C CB 2.033 29.809 27.740 0.060 0.000 1.551 1045 C HN 0.234 nan 8.230 nan 0.000 0.501 1046 D N 2.081 122.487 120.400 0.010 0.000 2.359 1046 D HA 0.567 5.207 4.640 -0.000 0.000 0.230 1046 D C 0.094 176.391 176.300 -0.005 0.000 1.118 1046 D CA 0.528 54.556 54.000 0.047 0.000 0.844 1046 D CB 1.805 42.652 40.800 0.077 0.000 1.059 1046 D HN 1.027 nan 8.370 nan 0.000 0.493 1047 A N 2.134 124.935 122.820 -0.032 0.000 2.304 1047 A HA 0.590 4.910 4.320 -0.000 0.000 0.323 1047 A C 0.063 177.605 177.584 -0.069 0.000 1.195 1047 A CA -0.652 51.324 52.037 -0.101 0.000 0.826 1047 A CB 1.315 20.127 19.000 -0.313 0.000 1.184 1047 A HN 0.338 nan 8.150 nan 0.000 0.496 1048 T N 3.466 117.993 114.554 -0.045 0.000 2.930 1048 T HA 0.504 4.854 4.350 -0.000 0.000 0.313 1048 T C -0.380 174.274 174.700 -0.077 0.000 1.019 1048 T CA -0.364 61.708 62.100 -0.046 0.000 1.004 1048 T CB -0.445 68.410 68.868 -0.022 0.000 0.987 1048 T HN 0.466 nan 8.240 nan 0.000 0.456 1049 I N 6.110 126.602 120.570 -0.129 0.000 2.648 1049 I HA 0.130 4.299 4.170 -0.000 0.000 0.284 1049 I C 0.829 176.777 176.117 -0.281 0.000 1.153 1049 I CA -0.060 61.066 61.300 -0.290 0.000 1.426 1049 I CB 0.699 38.525 38.000 -0.290 0.000 1.381 1049 I HN 0.618 nan 8.210 nan 0.000 0.571 1050 L N 3.362 124.354 121.223 -0.385 0.000 3.194 1050 L HA 0.263 4.603 4.340 -0.000 0.000 0.183 1050 L C 0.801 177.474 176.870 -0.329 0.000 1.359 1050 L CA -0.192 54.410 54.840 -0.397 0.000 1.759 1050 L CB -0.457 41.150 42.059 -0.754 0.000 1.854 1050 L HN 0.428 nan 8.230 nan 0.000 0.906 1051 S N 0.118 115.642 115.700 -0.293 0.000 2.576 1051 S HA 0.424 4.894 4.470 -0.000 0.000 0.276 1051 S C -0.098 174.225 174.600 -0.462 0.000 1.339 1051 S CA -0.241 57.761 58.200 -0.331 0.000 1.039 1051 S CB 0.804 63.877 63.200 -0.212 0.000 0.902 1051 S HN 0.573 nan 8.310 nan 0.000 0.516 1052 T N -0.451 113.793 114.554 -0.518 0.000 2.821 1052 T HA 0.443 4.792 4.350 -0.000 0.000 0.306 1052 T C -2.838 171.618 174.700 -0.406 0.000 1.313 1052 T CA -1.612 60.238 62.100 -0.416 0.000 1.012 1052 T CB 1.225 69.919 68.868 -0.290 0.000 1.298 1052 T HN 0.118 nan 8.240 nan 0.000 0.502 1053 P HA 0.003 nan 4.420 nan 0.000 0.218 1053 P C 1.276 178.476 177.300 -0.167 0.000 1.148 1053 P CA 0.951 63.923 63.100 -0.213 0.000 0.822 1053 P CB 0.108 31.727 31.700 -0.136 0.000 0.784 1054 K N -0.643 119.664 120.400 -0.154 0.000 2.442 1054 K HA -0.057 4.263 4.320 -0.000 0.000 0.198 1054 K C 1.587 178.140 176.600 -0.078 0.000 1.044 1054 K CA 0.647 56.872 56.287 -0.103 0.000 0.948 1054 K CB -0.424 32.021 32.500 -0.092 0.000 0.762 1054 K HN 0.155 nan 8.250 nan 0.000 0.472 1055 L N -1.472 119.644 121.223 -0.178 0.000 2.616 1055 L HA 0.132 4.472 4.340 -0.000 0.000 0.229 1055 L C 0.857 177.605 176.870 -0.204 0.000 1.110 1055 L CA 0.871 55.593 54.840 -0.196 0.000 0.884 1055 L CB 0.405 42.191 42.059 -0.454 0.000 1.115 1055 L HN 0.524 nan 8.230 nan 0.000 0.481 1056 G N -0.283 108.410 108.800 -0.177 0.000 2.238 1056 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.217 1056 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.217 1056 G C 0.492 175.370 174.900 -0.037 0.000 0.996 1056 G CA 0.018 45.109 45.100 -0.015 0.000 0.632 1056 G HN 0.551 nan 8.290 nan 0.000 0.503 1057 A N 0.640 123.219 122.820 -0.402 0.000 2.406 1057 A HA 0.636 4.956 4.320 -0.000 0.000 0.243 1057 A C 1.389 178.791 177.584 -0.302 0.000 1.082 1057 A CA 1.268 53.030 52.037 -0.457 0.000 0.786 1057 A CB 0.370 18.574 19.000 -1.326 0.000 1.029 1057 A HN 1.685 nan 8.150 nan 0.000 0.495 1058 S N -0.038 115.607 115.700 -0.093 0.000 2.537 1058 S HA 0.549 5.019 4.470 -0.000 0.000 0.246 1058 S C -0.221 174.462 174.600 0.139 0.000 1.036 1058 S CA -0.246 57.986 58.200 0.053 0.000 1.041 1058 S CB -1.036 62.265 63.200 0.168 0.000 0.799 1058 S HN 1.172 nan 8.310 nan 0.000 0.456 1059 F N -2.376 117.549 119.950 -0.040 0.000 2.779 1059 F HA 0.839 5.365 4.527 -0.000 0.000 0.316 1059 F C -1.714 173.951 175.800 -0.225 0.000 1.164 1059 F CA -1.535 56.359 58.000 -0.177 0.000 0.924 1059 F CB 0.971 39.789 39.000 -0.304 0.000 1.348 1059 F HN -0.161 nan 8.300 nan 0.000 0.467 1060 V N 1.633 121.485 119.914 -0.104 0.000 2.577 1060 V HA 0.545 4.665 4.120 -0.000 0.000 0.303 1060 V C -1.565 174.430 176.094 -0.165 0.000 1.042 1060 V CA -0.480 61.681 62.300 -0.232 0.000 0.872 1060 V CB 1.634 33.307 31.823 -0.250 0.000 0.998 1060 V HN 0.904 nan 8.190 nan 0.000 0.423 1061 D N 2.666 122.944 120.400 -0.203 0.000 2.490 1061 D HA 0.717 5.357 4.640 -0.000 0.000 0.232 1061 D C -1.311 174.743 176.300 -0.409 0.000 1.053 1061 D CA -0.617 53.327 54.000 -0.094 0.000 0.914 1061 D CB 1.965 42.941 40.800 0.293 0.000 1.431 1061 D HN 0.289 nan 8.370 nan 0.000 0.483 1062 Y N -1.175 118.946 120.300 -0.299 0.000 2.609 1062 Y HA 0.577 5.127 4.550 -0.000 0.000 0.342 1062 Y C -0.752 174.986 175.900 -0.271 0.000 1.058 1062 Y CA -1.413 56.522 58.100 -0.274 0.000 1.055 1062 Y CB 1.758 40.054 38.460 -0.274 0.000 1.292 1062 Y HN 0.457 nan 8.280 nan 0.000 0.476 1063 L N 2.004 123.228 121.223 0.001 0.000 2.376 1063 L HA 0.872 5.212 4.340 -0.000 0.000 0.275 1063 L C -1.808 175.035 176.870 -0.044 0.000 0.987 1063 L CA -0.785 54.031 54.840 -0.041 0.000 0.828 1063 L CB 1.210 43.240 42.059 -0.047 0.000 1.249 1063 L HN 0.531 nan 8.230 nan 0.000 0.409 1064 V N 2.553 122.425 119.914 -0.070 0.000 2.525 1064 V HA 0.394 4.514 4.120 -0.000 0.000 0.299 1064 V C 0.031 176.084 176.094 -0.069 0.000 1.034 1064 V CA -0.552 61.711 62.300 -0.062 0.000 0.863 1064 V CB 1.976 33.770 31.823 -0.049 0.000 0.999 1064 V HN 0.802 nan 8.190 nan 0.000 0.423 1065 T N 3.767 118.271 114.554 -0.084 0.000 2.744 1065 T HA 0.724 5.073 4.350 -0.000 0.000 0.291 1065 T C -0.516 174.029 174.700 -0.258 0.000 0.957 1065 T CA -0.476 61.540 62.100 -0.140 0.000 1.002 1065 T CB 0.585 69.374 68.868 -0.131 0.000 0.919 1065 T HN 0.390 nan 8.240 nan 0.000 0.468 1066 L N 4.510 125.620 121.223 -0.188 0.000 2.265 1066 L HA 0.451 4.791 4.340 -0.000 0.000 0.288 1066 L C 0.727 177.482 176.870 -0.192 0.000 1.058 1066 L CA -0.917 53.833 54.840 -0.151 0.000 0.809 1066 L CB 0.383 42.428 42.059 -0.023 0.000 1.179 1066 L HN 0.769 nan 8.230 nan 0.000 0.429 1067 H N 0.848 119.947 119.070 0.049 0.000 2.523 1067 H HA 0.236 4.791 4.556 -0.000 0.000 0.317 1067 H C -0.297 175.049 175.328 0.031 0.000 1.511 1067 H CA -0.806 55.264 56.048 0.037 0.000 1.499 1067 H CB 0.501 30.283 29.762 0.034 0.000 1.742 1067 H HN 0.494 nan 8.280 nan 0.000 0.750 1068 Q N 1.130 121.034 119.800 0.174 0.000 2.247 1068 Q HA -0.048 4.292 4.340 -0.000 0.000 0.288 1068 Q C -0.284 175.761 176.000 0.074 0.000 1.079 1068 Q CA 0.312 56.169 55.803 0.091 0.000 0.932 1068 Q CB 0.015 28.791 28.738 0.065 0.000 1.133 1068 Q HN 0.601 nan 8.270 nan 0.000 0.377 1069 N N -0.302 118.427 118.700 0.049 0.000 2.878 1069 N HA -0.158 4.582 4.740 -0.000 0.000 0.247 1069 N C -0.146 175.382 175.510 0.031 0.000 1.021 1069 N CA 0.784 53.852 53.050 0.029 0.000 0.873 1069 N CB -0.979 37.520 38.487 0.019 0.000 1.128 1069 N HN 0.733 nan 8.380 nan 0.000 0.571 1070 G N -0.822 108.012 108.800 0.056 0.000 2.432 1070 G HA2 0.614 4.574 3.960 -0.000 0.000 0.257 1070 G HA3 0.614 4.574 3.960 -0.000 0.000 0.257 1070 G C 0.678 175.611 174.900 0.055 0.000 1.238 1070 G CA 0.340 45.476 45.100 0.060 0.000 0.838 1070 G HN 0.570 nan 8.290 nan 0.000 0.547 1071 G N 0.658 109.472 108.800 0.024 0.000 2.368 1071 G HA2 0.280 4.240 3.960 -0.000 0.000 0.269 1071 G HA3 0.280 4.240 3.960 -0.000 0.000 0.269 1071 G C -1.608 173.022 174.900 -0.450 0.000 1.291 1071 G CA -0.637 44.443 45.100 -0.033 0.000 0.903 1071 G HN 0.876 nan 8.290 nan 0.000 0.483 1072 N N 0.421 118.497 118.700 -1.041 0.000 2.519 1072 N HA 0.278 5.018 4.740 -0.000 0.000 0.286 1072 N C 0.086 175.132 175.510 -0.772 0.000 1.079 1072 N CA -0.418 52.002 53.050 -1.051 0.000 0.878 1072 N CB 1.920 39.454 38.487 -1.587 0.000 1.375 1072 N HN 0.442 nan 8.380 nan 0.000 0.514 1073 Q N 1.457 120.990 119.800 -0.446 0.000 2.356 1073 Q HA 0.001 4.341 4.340 -0.000 0.000 0.205 1073 Q C 1.132 176.992 176.000 -0.232 0.000 0.901 1073 Q CA 0.277 55.905 55.803 -0.292 0.000 0.938 1073 Q CB 0.614 29.238 28.738 -0.191 0.000 1.081 1073 Q HN 0.727 nan 8.270 nan 0.000 0.517 1074 Q N 0.517 120.163 119.800 -0.257 0.000 2.269 1074 Q HA 0.085 4.424 4.340 -0.000 0.000 0.201 1074 Q C -0.175 175.736 176.000 -0.149 0.000 0.946 1074 Q CA 0.905 56.605 55.803 -0.171 0.000 0.877 1074 Q CB 0.453 29.103 28.738 -0.146 0.000 0.963 1074 Q HN 0.277 nan 8.270 nan 0.000 0.472 1075 G N 0.361 109.044 108.800 -0.196 0.000 3.435 1075 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.683 1075 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.683 1075 G C -0.583 174.289 174.900 -0.047 0.000 1.189 1075 G CA -0.175 44.857 45.100 -0.113 0.000 1.069 1075 G HN 0.246 nan 8.290 nan 0.000 0.508 1076 F N 3.073 122.916 119.950 -0.179 0.000 2.118 1076 F HA 0.293 4.820 4.527 -0.000 0.000 0.293 1076 F C 2.122 177.912 175.800 -0.018 0.000 1.102 1076 F CA 2.529 60.474 58.000 -0.090 0.000 1.247 1076 F CB -0.650 38.357 39.000 0.011 0.000 1.017 1076 F HN 0.806 nan 8.300 nan 0.000 0.475 1077 G N -0.331 108.301 108.800 -0.279 0.000 1.956 1077 G HA2 0.272 4.232 3.960 -0.000 0.000 0.522 1077 G HA3 0.272 4.232 3.960 -0.000 0.000 0.522 1077 G C 0.158 174.882 174.900 -0.294 0.000 1.379 1077 G CA 0.394 45.264 45.100 -0.383 0.000 1.070 1077 G HN 1.090 nan 8.290 nan 0.000 0.470 1078 G N -3.081 105.615 108.800 -0.173 0.000 2.347 1078 G HA2 0.364 4.324 3.960 -0.000 0.000 0.303 1078 G HA3 0.364 4.324 3.960 -0.000 0.000 0.303 1078 G C -1.071 173.785 174.900 -0.073 0.000 1.481 1078 G CA -0.558 44.475 45.100 -0.112 0.000 0.914 1078 G HN 0.493 nan 8.290 nan 0.000 0.638 1079 E N 0.137 120.311 120.200 -0.043 0.000 2.465 1079 E HA 0.392 4.742 4.350 -0.000 0.000 0.260 1079 E C 1.425 178.024 176.600 -0.002 0.000 0.980 1079 E CA 1.340 57.728 56.400 -0.020 0.000 0.927 1079 E CB 0.854 30.549 29.700 -0.009 0.000 0.934 1079 E HN 2.041 nan 8.360 nan 0.000 0.459 1080 G N 3.425 112.235 108.800 0.018 0.000 2.166 1080 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 1080 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 1080 G C 0.334 175.280 174.900 0.076 0.000 0.986 1080 G CA 0.323 45.462 45.100 0.066 0.000 0.683 1080 G HN 0.487 nan 8.290 nan 0.000 0.527 1081 I N 1.262 121.840 120.570 0.015 0.000 2.378 1081 I HA 0.383 4.552 4.170 -0.000 0.000 0.291 1081 I C 0.398 176.496 176.117 -0.031 0.000 0.992 1081 I CA -0.869 60.429 61.300 -0.003 0.000 1.154 1081 I CB 1.400 39.352 38.000 -0.079 0.000 1.315 1081 I HN 0.386 nan 8.210 nan 0.000 0.448 1082 E N 4.783 125.005 120.200 0.038 0.000 2.214 1082 E HA 0.653 5.003 4.350 -0.000 0.000 0.274 1082 E C -0.842 175.764 176.600 0.010 0.000 0.977 1082 E CA -0.687 55.701 56.400 -0.020 0.000 0.827 1082 E CB 1.939 31.728 29.700 0.149 0.000 1.130 1082 E HN 0.567 nan 8.360 nan 0.000 0.394 1083 T N -0.350 114.140 114.554 -0.107 0.000 2.901 1083 T HA 0.663 5.013 4.350 -0.000 0.000 0.293 1083 T C -1.067 173.739 174.700 0.177 0.000 1.084 1083 T CA -0.892 61.290 62.100 0.137 0.000 1.008 1083 T CB 1.266 70.246 68.868 0.186 0.000 1.170 1083 T HN 0.526 nan 8.240 nan 0.000 0.509 1084 F N 1.074 121.151 119.950 0.211 0.000 2.588 1084 F HA 0.727 5.254 4.527 -0.000 0.000 0.314 1084 F C -2.093 173.764 175.800 0.094 0.000 1.134 1084 F CA -1.185 56.911 58.000 0.159 0.000 0.961 1084 F CB 1.664 40.772 39.000 0.179 0.000 1.239 1084 F HN 0.857 nan 8.300 nan 0.000 0.448 1085 L N 6.951 127.774 121.223 -0.667 0.000 2.362 1085 L HA 0.626 4.966 4.340 -0.000 0.000 0.271 1085 L C -2.207 174.309 176.870 -0.589 0.000 1.002 1085 L CA -0.925 53.613 54.840 -0.504 0.000 0.818 1085 L CB 2.013 43.806 42.059 -0.442 0.000 1.298 1085 L HN 0.798 nan 8.230 nan 0.000 0.420 1086 Y N 4.109 124.236 120.300 -0.287 0.000 2.354 1086 Y HA 0.474 5.024 4.550 -0.000 0.000 0.330 1086 Y C -1.129 174.756 175.900 -0.024 0.000 1.011 1086 Y CA -0.801 57.242 58.100 -0.095 0.000 1.099 1086 Y CB 1.772 40.326 38.460 0.157 0.000 1.179 1086 Y HN 0.276 nan 8.280 nan 0.000 0.442 1087 V N 8.800 128.335 119.914 -0.631 0.000 2.397 1087 V HA 0.012 4.132 4.120 -0.000 0.000 0.262 1087 V C 1.245 177.078 176.094 -0.436 0.000 1.047 1087 V CA 0.590 62.640 62.300 -0.416 0.000 1.003 1087 V CB 0.036 31.673 31.823 -0.310 0.000 1.037 1087 V HN 0.929 nan 8.190 nan 0.000 0.480 1088 I N 3.381 123.940 120.570 -0.018 0.000 2.394 1088 I HA -0.049 4.121 4.170 -0.000 0.000 0.251 1088 I C 1.015 177.201 176.117 0.115 0.000 1.136 1088 I CA 1.175 62.611 61.300 0.226 0.000 1.425 1088 I CB 0.116 38.275 38.000 0.265 0.000 1.079 1088 I HN 0.821 nan 8.210 nan 0.000 0.425 1089 S N -0.952 114.768 115.700 0.032 0.000 2.586 1089 S HA 0.636 5.106 4.470 -0.000 0.000 0.277 1089 S C -0.382 174.219 174.600 0.001 0.000 1.131 1089 S CA -0.302 57.916 58.200 0.030 0.000 0.848 1089 S CB 1.224 64.464 63.200 0.067 0.000 1.091 1089 S HN 0.672 nan 8.310 nan 0.000 0.453 1090 G N 1.798 110.600 108.800 0.004 0.000 2.545 1090 G HA2 0.082 4.042 3.960 -0.000 0.000 0.216 1090 G HA3 0.082 4.042 3.960 -0.000 0.000 0.216 1090 G C -1.199 173.692 174.900 -0.014 0.000 1.314 1090 G CA -0.199 44.901 45.100 -0.001 0.000 0.906 1090 G HN 1.314 nan 8.290 nan 0.000 0.563 1091 N N -0.436 118.257 118.700 -0.012 0.000 2.369 1091 N HA 0.683 5.423 4.740 -0.000 0.000 0.287 1091 N C -0.132 175.373 175.510 -0.009 0.000 1.067 1091 N CA -0.045 52.997 53.050 -0.014 0.000 0.888 1091 N CB 2.011 40.497 38.487 -0.002 0.000 1.616 1091 N HN 1.066 nan 8.380 nan 0.000 0.482 1092 I N -2.447 118.115 120.570 -0.014 0.000 3.322 1092 I HA 0.787 4.957 4.170 -0.000 0.000 0.313 1092 I C -0.902 175.232 176.117 0.027 0.000 1.129 1092 I CA -0.603 60.701 61.300 0.007 0.000 0.963 1092 I CB 2.608 40.602 38.000 -0.011 0.000 1.273 1092 I HN 0.196 nan 8.210 nan 0.000 0.473 1093 T N 2.428 117.015 114.554 0.056 0.000 2.930 1093 T HA 0.740 5.090 4.350 -0.000 0.000 0.313 1093 T C -0.401 174.367 174.700 0.112 0.000 1.019 1093 T CA -0.429 61.711 62.100 0.067 0.000 1.004 1093 T CB 1.124 70.015 68.868 0.038 0.000 0.987 1093 T HN 0.861 nan 8.240 nan 0.000 0.456 1094 A N 3.753 126.666 122.820 0.156 0.000 2.294 1094 A HA 0.893 5.213 4.320 -0.000 0.000 0.330 1094 A C -0.300 177.436 177.584 0.253 0.000 1.133 1094 A CA -0.745 51.415 52.037 0.205 0.000 0.836 1094 A CB 0.936 20.026 19.000 0.150 0.000 1.190 1094 A HN 0.711 nan 8.150 nan 0.000 0.492 1095 K N -0.232 120.293 120.400 0.209 0.000 2.535 1095 K HA 0.680 5.000 4.320 -0.000 0.000 0.251 1095 K C -1.229 175.475 176.600 0.174 0.000 0.942 1095 K CA -0.369 56.029 56.287 0.185 0.000 0.798 1095 K CB 2.508 35.045 32.500 0.063 0.000 1.267 1095 K HN 1.107 nan 8.250 nan 0.000 0.434 1096 A N 1.656 124.614 122.820 0.231 0.000 2.605 1096 A HA 0.386 4.706 4.320 -0.000 0.000 0.294 1096 A C -0.988 176.700 177.584 0.172 0.000 1.062 1096 A CA -0.730 51.407 52.037 0.167 0.000 0.682 1096 A CB 0.822 19.907 19.000 0.142 0.000 1.278 1096 A HN 0.838 nan 8.150 nan 0.000 0.410 1097 E N 0.244 120.506 120.200 0.103 0.000 2.238 1097 E HA -0.275 4.075 4.350 -0.000 0.000 0.219 1097 E C 1.150 177.790 176.600 0.067 0.000 1.275 1097 E CA 1.394 57.846 56.400 0.087 0.000 0.714 1097 E CB -1.682 28.089 29.700 0.119 0.000 1.154 1097 E HN 2.439 nan 8.360 nan 0.000 0.363 1098 G N -0.192 108.631 108.800 0.040 0.000 2.196 1098 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.268 1098 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.268 1098 G C 0.361 175.243 174.900 -0.029 0.000 0.975 1098 G CA 1.364 46.467 45.100 0.005 0.000 0.648 1098 G HN 0.383 nan 8.290 nan 0.000 0.538 1099 K N -0.397 119.985 120.400 -0.029 0.000 2.210 1099 K HA 0.720 5.040 4.320 -0.000 0.000 0.236 1099 K C -0.335 176.082 176.600 -0.304 0.000 1.016 1099 K CA -0.415 55.745 56.287 -0.211 0.000 0.913 1099 K CB 1.221 33.526 32.500 -0.325 0.000 1.141 1099 K HN 0.055 nan 8.250 nan 0.000 0.462 1100 T N 0.935 115.138 114.554 -0.585 0.000 2.893 1100 T HA 0.585 4.935 4.350 -0.000 0.000 0.293 1100 T C -1.424 172.844 174.700 -0.720 0.000 1.027 1100 T CA -0.670 61.181 62.100 -0.414 0.000 0.988 1100 T CB 0.477 69.224 68.868 -0.202 0.000 1.043 1100 T HN 0.282 nan 8.240 nan 0.000 0.461 1101 F N 1.106 121.043 119.950 -0.022 0.000 2.539 1101 F HA 0.654 5.181 4.527 -0.000 0.000 0.318 1101 F C 0.168 175.947 175.800 -0.035 0.000 1.135 1101 F CA -1.202 56.778 58.000 -0.035 0.000 0.915 1101 F CB 1.565 40.534 39.000 -0.052 0.000 1.176 1101 F HN 0.632 nan 8.300 nan 0.000 0.440 1102 A N 5.246 128.132 122.820 0.109 0.000 2.478 1102 A HA 0.691 5.011 4.320 -0.000 0.000 0.327 1102 A C -0.703 176.909 177.584 0.046 0.000 1.431 1102 A CA -0.424 51.646 52.037 0.054 0.000 1.014 1102 A CB -0.329 18.683 19.000 0.020 0.000 1.143 1102 A HN 0.782 nan 8.150 nan 0.000 0.532 1103 L N 2.922 124.162 121.223 0.028 0.000 2.292 1103 L HA 0.470 4.810 4.340 -0.000 0.000 0.284 1103 L C 0.880 177.728 176.870 -0.037 0.000 1.065 1103 L CA -0.316 54.511 54.840 -0.020 0.000 0.806 1103 L CB 1.552 43.570 42.059 -0.069 0.000 1.175 1103 L HN 0.795 nan 8.230 nan 0.000 0.431 1104 S N 1.224 116.902 115.700 -0.038 0.000 2.786 1104 S HA 0.346 4.816 4.470 -0.000 0.000 0.307 1104 S C -0.305 174.255 174.600 -0.066 0.000 1.121 1104 S CA -0.925 57.254 58.200 -0.035 0.000 0.975 1104 S CB 1.369 64.563 63.200 -0.010 0.000 1.220 1104 S HN 0.651 nan 8.310 nan 0.000 0.550 1105 E N -0.401 119.771 120.200 -0.046 0.000 2.568 1105 E HA 0.292 4.642 4.350 -0.000 0.000 0.262 1105 E C 1.290 177.848 176.600 -0.070 0.000 0.961 1105 E CA 1.074 57.438 56.400 -0.060 0.000 0.945 1105 E CB -0.440 29.264 29.700 0.007 0.000 0.924 1105 E HN 1.234 nan 8.360 nan 0.000 0.467 1106 G N 2.670 111.355 108.800 -0.192 0.000 2.205 1106 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.261 1106 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.261 1106 G C 0.487 175.362 174.900 -0.043 0.000 0.980 1106 G CA 0.115 45.169 45.100 -0.076 0.000 0.632 1106 G HN 0.901 nan 8.290 nan 0.000 0.533 1107 G N 0.061 108.778 108.800 -0.138 0.000 2.442 1107 G HA2 0.652 4.612 3.960 -0.000 0.000 0.249 1107 G HA3 0.652 4.612 3.960 -0.000 0.000 0.249 1107 G C -0.286 174.581 174.900 -0.055 0.000 1.263 1107 G CA 0.380 45.451 45.100 -0.048 0.000 0.846 1107 G HN 1.527 nan 8.290 nan 0.000 0.555 1108 Y N 0.082 120.321 120.300 -0.102 0.000 2.581 1108 Y HA 0.778 5.327 4.550 -0.000 0.000 0.345 1108 Y C -1.432 174.305 175.900 -0.271 0.000 1.036 1108 Y CA -2.209 55.768 58.100 -0.205 0.000 1.042 1108 Y CB 2.127 40.620 38.460 0.055 0.000 1.289 1108 Y HN 0.608 nan 8.280 nan 0.000 0.471 1109 L N 3.579 124.582 121.223 -0.367 0.000 2.516 1109 L HA 0.506 4.845 4.340 -0.000 0.000 0.267 1109 L C -2.228 174.517 176.870 -0.207 0.000 0.957 1109 L CA -0.846 53.764 54.840 -0.383 0.000 0.860 1109 L CB 1.741 43.527 42.059 -0.455 0.000 1.265 1109 L HN 0.800 nan 8.230 nan 0.000 0.403 1110 Y N 4.750 125.015 120.300 -0.058 0.000 2.360 1110 Y HA 0.725 5.275 4.550 -0.000 0.000 0.337 1110 Y C -0.979 174.965 175.900 0.074 0.000 1.039 1110 Y CA -0.599 57.587 58.100 0.143 0.000 1.109 1110 Y CB 1.589 40.258 38.460 0.348 0.000 1.201 1110 Y HN 0.758 nan 8.280 nan 0.000 0.458 1111 C N 9.001 127.771 119.300 -0.883 0.000 2.396 1111 C HA 0.488 4.948 4.460 -0.000 0.000 0.321 1111 C C -2.226 172.304 174.990 -0.767 0.000 1.233 1111 C CA -1.474 57.217 59.018 -0.545 0.000 1.440 1111 C CB 1.471 29.062 27.740 -0.248 0.000 2.110 1111 C HN 0.688 nan 8.230 nan 0.000 0.473 1112 P HA 0.202 nan 4.420 nan 0.000 0.274 1112 P C -2.762 174.416 177.300 -0.203 0.000 1.260 1112 P CA -1.075 61.928 63.100 -0.162 0.000 0.793 1112 P CB -0.440 31.227 31.700 -0.056 0.000 1.048 1113 P HA 0.007 nan 4.420 nan 0.000 0.264 1113 P C 1.122 178.369 177.300 -0.089 0.000 1.183 1113 P CA 1.696 64.719 63.100 -0.128 0.000 0.763 1113 P CB -0.354 31.277 31.700 -0.115 0.000 0.807 1114 G N 2.224 110.982 108.800 -0.069 0.000 2.383 1114 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.229 1114 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.229 1114 G C 0.444 175.315 174.900 -0.049 0.000 1.089 1114 G CA 0.064 45.134 45.100 -0.050 0.000 0.640 1114 G HN 0.547 nan 8.290 nan 0.000 0.510 1115 S N 2.680 118.348 115.700 -0.054 0.000 3.024 1115 S HA 0.489 4.959 4.470 -0.000 0.000 0.316 1115 S C 0.639 175.216 174.600 -0.038 0.000 1.197 1115 S CA -0.317 57.864 58.200 -0.033 0.000 1.097 1115 S CB 0.260 63.450 63.200 -0.016 0.000 1.471 1115 S HN 0.455 nan 8.310 nan 0.000 0.543 1116 L N 2.937 124.139 121.223 -0.035 0.000 2.554 1116 L HA 0.105 4.445 4.340 -0.000 0.000 0.293 1116 L C 0.278 177.153 176.870 0.008 0.000 1.252 1116 L CA 1.159 55.980 54.840 -0.031 0.000 0.862 1116 L CB -0.018 42.019 42.059 -0.037 0.000 1.113 1116 L HN 0.611 nan 8.230 nan 0.000 0.510 1117 M N 2.563 122.195 119.600 0.053 0.000 2.465 1117 M HA 0.619 5.099 4.480 -0.000 0.000 0.316 1117 M C -0.856 175.471 176.300 0.045 0.000 1.121 1117 M CA -0.384 54.978 55.300 0.104 0.000 0.934 1117 M CB 1.988 34.713 32.600 0.207 0.000 1.692 1117 M HN 0.746 nan 8.290 nan 0.000 0.444 1118 T N 1.158 115.709 114.554 -0.004 0.000 2.906 1118 T HA 0.866 5.216 4.350 -0.000 0.000 0.295 1118 T C -0.927 173.700 174.700 -0.122 0.000 1.061 1118 T CA -0.654 61.302 62.100 -0.240 0.000 1.000 1118 T CB 1.603 70.355 68.868 -0.193 0.000 1.103 1118 T HN 0.713 nan 8.240 nan 0.000 0.486 1119 F N -1.144 118.733 119.950 -0.121 0.000 2.703 1119 F HA 0.827 5.354 4.527 -0.000 0.000 0.308 1119 F C -1.909 173.822 175.800 -0.115 0.000 1.126 1119 F CA -1.321 56.616 58.000 -0.106 0.000 0.959 1119 F CB 1.042 39.964 39.000 -0.130 0.000 1.297 1119 F HN 0.583 nan 8.300 nan 0.000 0.441 1120 V N 1.178 121.180 119.914 0.147 0.000 3.087 1120 V HA 0.374 4.494 4.120 -0.000 0.000 0.306 1120 V C -0.899 175.245 176.094 0.082 0.000 1.187 1120 V CA -0.972 61.373 62.300 0.074 0.000 0.999 1120 V CB 2.123 33.941 31.823 -0.009 0.000 1.049 1120 V HN 0.904 nan 8.190 nan 0.000 0.431 1121 N N 1.728 120.466 118.700 0.063 0.000 2.458 1121 N HA 0.201 4.941 4.740 -0.000 0.000 0.258 1121 N C 0.529 176.057 175.510 0.029 0.000 1.219 1121 N CA 0.754 53.828 53.050 0.040 0.000 0.902 1121 N CB 1.796 40.305 38.487 0.037 0.000 1.076 1121 N HN 0.894 nan 8.380 nan 0.000 0.455 1122 A N 3.005 125.838 122.820 0.022 0.000 2.390 1122 A HA 0.078 4.397 4.320 -0.000 0.000 0.232 1122 A C 0.552 178.145 177.584 0.015 0.000 1.233 1122 A CA 0.059 52.106 52.037 0.016 0.000 0.907 1122 A CB -0.072 18.937 19.000 0.014 0.000 0.967 1122 A HN 0.812 nan 8.150 nan 0.000 0.512 1123 Q N -2.731 117.080 119.800 0.018 0.000 2.633 1123 Q HA 0.802 5.142 4.340 -0.000 0.000 0.292 1123 Q C 0.661 176.676 176.000 0.026 0.000 1.089 1123 Q CA -0.281 55.534 55.803 0.019 0.000 0.811 1123 Q CB 1.517 30.266 28.738 0.018 0.000 1.472 1123 Q HN 0.025 nan 8.270 nan 0.000 0.464 1124 A N 0.374 123.210 122.820 0.026 0.000 1.872 1124 A HA -0.015 4.305 4.320 -0.000 0.000 0.214 1124 A C 0.278 177.888 177.584 0.043 0.000 1.187 1124 A CA 1.117 53.173 52.037 0.031 0.000 0.614 1124 A CB -0.551 18.464 19.000 0.026 0.000 0.826 1124 A HN 0.753 nan 8.150 nan 0.000 0.442 1125 E N 1.293 121.518 120.200 0.041 0.000 2.391 1125 E HA 0.317 4.667 4.350 -0.000 0.000 0.255 1125 E C -0.780 175.854 176.600 0.058 0.000 1.187 1125 E CA -0.483 55.948 56.400 0.052 0.000 0.941 1125 E CB 0.175 29.901 29.700 0.043 0.000 1.010 1125 E HN 0.236 nan 8.360 nan 0.000 0.458 1126 D N 0.351 120.795 120.400 0.074 0.000 2.424 1126 D HA 0.116 4.756 4.640 -0.000 0.000 0.244 1126 D C -0.616 175.695 176.300 0.018 0.000 1.134 1126 D CA 0.316 54.347 54.000 0.052 0.000 0.881 1126 D CB 0.664 41.505 40.800 0.067 0.000 1.191 1126 D HN 0.122 nan 8.370 nan 0.000 0.445 1127 S N 1.420 117.114 115.700 -0.009 0.000 2.454 1127 S HA 0.264 4.734 4.470 -0.000 0.000 0.306 1127 S C -0.165 174.411 174.600 -0.039 0.000 1.100 1127 S CA -0.760 57.430 58.200 -0.016 0.000 1.087 1127 S CB 1.882 65.072 63.200 -0.018 0.000 1.019 1127 S HN 0.392 nan 8.310 nan 0.000 0.480 1128 Q N 2.585 122.371 119.800 -0.023 0.000 2.271 1128 Q HA 0.665 5.005 4.340 -0.000 0.000 0.258 1128 Q C -1.420 174.556 176.000 -0.041 0.000 0.936 1128 Q CA -0.530 55.259 55.803 -0.023 0.000 0.909 1128 Q CB 0.781 29.537 28.738 0.030 0.000 1.253 1128 Q HN 0.558 nan 8.270 nan 0.000 0.440 1129 I N 3.123 123.647 120.570 -0.077 0.000 2.785 1129 I HA 0.469 4.639 4.170 -0.000 0.000 0.302 1129 I C -1.529 174.564 176.117 -0.040 0.000 1.069 1129 I CA -0.769 60.464 61.300 -0.112 0.000 1.045 1129 I CB 1.971 39.789 38.000 -0.303 0.000 1.236 1129 I HN 0.671 nan 8.210 nan 0.000 0.429 1130 F N 6.673 126.554 119.950 -0.115 0.000 2.449 1130 F HA 0.683 5.210 4.527 -0.000 0.000 0.342 1130 F C -1.613 174.183 175.800 -0.005 0.000 1.127 1130 F CA -0.565 57.394 58.000 -0.068 0.000 0.975 1130 F CB 0.801 39.811 39.000 0.017 0.000 1.146 1130 F HN 0.185 nan 8.300 nan 0.000 0.444 1131 L N 6.300 127.107 121.223 -0.692 0.000 2.333 1131 L HA 0.551 4.891 4.340 -0.000 0.000 0.269 1131 L C -1.649 175.059 176.870 -0.269 0.000 1.010 1131 L CA -1.250 53.316 54.840 -0.456 0.000 0.818 1131 L CB 2.294 44.033 42.059 -0.534 0.000 1.306 1131 L HN 0.699 nan 8.230 nan 0.000 0.430 1132 Y N 2.599 122.904 120.300 0.008 0.000 2.519 1132 Y HA 0.476 5.026 4.550 -0.000 0.000 0.336 1132 Y C -1.427 174.706 175.900 0.389 0.000 1.089 1132 Y CA -1.103 57.110 58.100 0.189 0.000 1.025 1132 Y CB 1.571 40.088 38.460 0.095 0.000 1.318 1132 Y HN 0.535 nan 8.280 nan 0.000 0.452 1133 K N 5.157 125.538 120.400 -0.031 0.000 2.532 1133 K HA 0.866 5.186 4.320 -0.000 0.000 0.265 1133 K C -1.769 174.729 176.600 -0.170 0.000 0.948 1133 K CA -1.186 55.124 56.287 0.039 0.000 0.842 1133 K CB 3.031 35.578 32.500 0.078 0.000 1.392 1133 K HN 0.873 nan 8.250 nan 0.000 0.436 1134 R N 0.501 121.014 120.500 0.022 0.000 2.716 1134 R HA 0.420 4.760 4.340 -0.000 0.000 0.271 1134 R C -1.580 174.788 176.300 0.115 0.000 1.028 1134 R CA -1.271 54.877 56.100 0.080 0.000 0.883 1134 R CB 1.438 31.856 30.300 0.197 0.000 1.250 1134 R HN 0.674 nan 8.270 nan 0.000 0.465 1135 R N 1.801 122.363 120.500 0.103 0.000 2.210 1135 R HA 0.128 4.468 4.340 -0.000 0.000 0.338 1135 R C -1.018 175.364 176.300 0.136 0.000 1.062 1135 R CA -0.417 55.743 56.100 0.100 0.000 0.902 1135 R CB 0.254 30.588 30.300 0.057 0.000 1.050 1135 R HN 0.661 nan 8.270 nan 0.000 0.461 1136 Y N 3.980 124.315 120.300 0.058 0.000 2.597 1136 Y HA 0.148 4.698 4.550 -0.000 0.000 0.336 1136 Y C -0.674 175.255 175.900 0.048 0.000 1.216 1136 Y CA 0.125 58.264 58.100 0.064 0.000 1.463 1136 Y CB 0.805 39.297 38.460 0.054 0.000 1.303 1136 Y HN 0.277 nan 8.280 nan 0.000 0.576 1137 V N 9.281 128.635 119.914 -0.934 0.000 2.313 1137 V HA 0.278 4.398 4.120 -0.000 0.000 0.278 1137 V C -2.068 173.487 176.094 -0.899 0.000 1.017 1137 V CA -1.868 60.040 62.300 -0.653 0.000 0.823 1137 V CB 0.869 32.492 31.823 -0.334 0.000 1.010 1137 V HN 0.702 nan 8.190 nan 0.000 0.443 1138 P HA 0.279 nan 4.420 nan 0.000 0.274 1138 P C -0.789 176.502 177.300 -0.015 0.000 1.231 1138 P CA 0.031 63.115 63.100 -0.027 0.000 0.790 1138 P CB 2.386 34.197 31.700 0.184 0.000 0.951 1139 V N 1.887 121.854 119.914 0.090 0.000 2.925 1139 V HA 0.223 4.343 4.120 -0.000 0.000 0.311 1139 V C -0.309 175.910 176.094 0.208 0.000 1.104 1139 V CA -0.929 61.427 62.300 0.094 0.000 0.954 1139 V CB 2.009 33.842 31.823 0.017 0.000 1.022 1139 V HN 0.436 nan 8.190 nan 0.000 0.427 1140 E N 3.409 123.716 120.200 0.179 0.000 2.480 1140 E HA 0.227 4.577 4.350 -0.000 0.000 0.258 1140 E C 1.016 177.774 176.600 0.263 0.000 0.984 1140 E CA 1.129 57.637 56.400 0.180 0.000 0.930 1140 E CB 0.524 30.299 29.700 0.124 0.000 0.936 1140 E HN 1.414 nan 8.360 nan 0.000 0.466 1141 G N 2.889 111.773 108.800 0.140 0.000 2.160 1141 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 1141 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 1141 G C -0.544 174.197 174.900 -0.265 0.000 1.022 1141 G CA 0.313 45.383 45.100 -0.051 0.000 0.741 1141 G HN 0.444 nan 8.290 nan 0.000 0.508 1142 Y N -1.346 119.019 120.300 0.108 0.000 2.638 1142 Y HA 0.728 5.278 4.550 -0.000 0.000 0.335 1142 Y C 0.146 176.140 175.900 0.156 0.000 1.155 1142 Y CA -0.441 57.746 58.100 0.144 0.000 1.046 1142 Y CB 1.907 40.460 38.460 0.154 0.000 1.303 1142 Y HN 0.990 nan 8.280 nan 0.000 0.460 1143 A N 1.989 125.022 122.820 0.354 0.000 2.582 1143 A HA 0.708 5.028 4.320 -0.000 0.000 0.297 1143 A C -3.214 174.455 177.584 0.142 0.000 1.059 1143 A CA -1.369 50.787 52.037 0.198 0.000 0.705 1143 A CB 1.621 20.709 19.000 0.146 0.000 1.279 1143 A HN 0.296 nan 8.150 nan 0.000 0.404 1144 P HA 0.752 nan 4.420 nan 0.000 0.293 1144 P C -1.066 176.111 177.300 -0.205 0.000 1.304 1144 P CA -0.196 62.391 63.100 -0.856 0.000 0.767 1144 P CB 0.603 31.557 31.700 -1.243 0.000 1.247 1145 W N -1.924 119.222 121.300 -0.258 0.000 3.146 1145 W HA 0.440 5.100 4.660 -0.000 0.000 0.319 1145 W C -1.608 175.110 176.519 0.331 0.000 1.258 1145 W CA -1.251 56.150 57.345 0.093 0.000 1.189 1145 W CB -0.107 29.428 29.460 0.125 0.000 1.412 1145 W HN 0.188 nan 8.180 nan 0.000 0.567 1146 L N 3.064 124.577 121.223 0.483 0.000 2.578 1146 L HA 0.441 4.781 4.340 -0.000 0.000 0.279 1146 L C -0.760 176.379 176.870 0.449 0.000 1.227 1146 L CA 0.216 55.297 54.840 0.402 0.000 0.900 1146 L CB 0.159 42.384 42.059 0.277 0.000 1.144 1146 L HN 0.476 nan 8.230 nan 0.000 0.496 1147 V N 4.906 125.037 119.914 0.363 0.000 2.760 1147 V HA 0.703 4.823 4.120 -0.000 0.000 0.309 1147 V C -0.256 175.835 176.094 -0.004 0.000 1.077 1147 V CA -0.499 61.952 62.300 0.252 0.000 0.910 1147 V CB 1.842 33.830 31.823 0.274 0.000 1.008 1147 V HN 0.976 nan 8.190 nan 0.000 0.424 1148 S N 1.966 117.540 115.700 -0.211 0.000 2.550 1148 S HA 0.967 5.437 4.470 -0.000 0.000 0.270 1148 S C -0.315 173.913 174.600 -0.620 0.000 1.145 1148 S CA 0.397 58.229 58.200 -0.613 0.000 0.852 1148 S CB 1.981 64.732 63.200 -0.749 0.000 1.119 1148 S HN 1.683 nan 8.310 nan 0.000 0.465 1149 G N 2.883 111.131 108.800 -0.919 0.000 2.360 1149 G HA2 0.272 4.232 3.960 -0.000 0.000 0.276 1149 G HA3 0.272 4.232 3.960 -0.000 0.000 0.276 1149 G C -2.064 172.721 174.900 -0.192 0.000 1.256 1149 G CA -0.574 44.275 45.100 -0.418 0.000 0.890 1149 G HN 0.734 nan 8.290 nan 0.000 0.486 1150 N N -0.279 118.497 118.700 0.128 0.000 2.240 1150 N HA 0.550 5.290 4.740 -0.000 0.000 0.302 1150 N C 1.200 176.878 175.510 0.280 0.000 1.106 1150 N CA 0.189 53.376 53.050 0.229 0.000 0.778 1150 N CB 2.261 40.807 38.487 0.098 0.000 1.431 1150 N HN 0.800 nan 8.380 nan 0.000 0.479 1151 A N 1.904 124.887 122.820 0.272 0.000 1.940 1151 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 1151 A C 2.089 179.677 177.584 0.008 0.000 1.176 1151 A CA 2.499 54.573 52.037 0.062 0.000 0.631 1151 A CB -0.961 18.154 19.000 0.191 0.000 0.814 1151 A HN 0.839 nan 8.150 nan 0.000 0.446 1152 S N 1.477 117.211 115.700 0.057 0.000 2.381 1152 S HA -0.295 4.175 4.470 -0.000 0.000 0.230 1152 S C 1.463 176.068 174.600 0.008 0.000 1.052 1152 S CA 1.700 59.918 58.200 0.029 0.000 1.068 1152 S CB -0.963 62.261 63.200 0.039 0.000 0.918 1152 S HN 0.833 nan 8.310 nan 0.000 0.448 1153 E N 1.154 121.369 120.200 0.025 0.000 2.485 1153 E HA 0.295 4.645 4.350 -0.000 0.000 0.194 1153 E C 0.223 176.818 176.600 -0.008 0.000 1.098 1153 E CA -0.171 56.238 56.400 0.016 0.000 0.878 1153 E CB -0.389 29.333 29.700 0.036 0.000 0.939 1153 E HN 0.504 nan 8.360 nan 0.000 0.503 1154 L N 2.587 123.776 121.223 -0.057 0.000 2.399 1154 L HA 0.153 4.493 4.340 -0.000 0.000 0.265 1154 L C 1.184 177.987 176.870 -0.111 0.000 1.089 1154 L CA -1.124 53.642 54.840 -0.124 0.000 0.802 1154 L CB 0.938 42.821 42.059 -0.293 0.000 1.180 1154 L HN 0.241 nan 8.230 nan 0.000 0.454 1155 E N 1.882 122.015 120.200 -0.113 0.000 2.468 1155 E HA -0.158 4.192 4.350 -0.000 0.000 0.263 1155 E C -0.258 176.281 176.600 -0.103 0.000 1.192 1155 E CA -0.190 56.157 56.400 -0.089 0.000 1.016 1155 E CB 0.584 30.234 29.700 -0.084 0.000 0.980 1155 E HN 0.409 nan 8.360 nan 0.000 0.467 1156 R N 0.653 121.104 120.500 -0.081 0.000 2.727 1156 R HA 0.326 4.666 4.340 -0.000 0.000 0.410 1156 R C -0.144 176.108 176.300 -0.080 0.000 1.101 1156 R CA -0.347 55.704 56.100 -0.083 0.000 1.045 1156 R CB -0.912 29.351 30.300 -0.061 0.000 1.380 1156 R HN 0.602 nan 8.270 nan 0.000 0.587 1166 I N -0.888 119.515 120.570 -0.278 0.000 2.713 1166 I HA 0.832 5.002 4.170 -0.000 0.000 0.300 1166 I C -0.536 175.446 176.117 -0.225 0.000 1.009 1166 I CA -0.657 60.522 61.300 -0.203 0.000 1.305 1166 I CB 1.590 39.506 38.000 -0.139 0.000 1.430 1166 I HN 0.177 nan 8.210 nan 0.000 0.546 1167 L N 5.511 126.633 121.223 -0.168 0.000 2.381 1167 L HA 0.656 4.996 4.340 -0.000 0.000 0.268 1167 L C -1.307 175.483 176.870 -0.133 0.000 0.997 1167 L CA -0.541 54.211 54.840 -0.147 0.000 0.818 1167 L CB 1.826 43.817 42.059 -0.114 0.000 1.310 1167 L HN 0.629 nan 8.230 nan 0.000 0.416 1168 L N 3.440 124.580 121.223 -0.139 0.000 2.365 1168 L HA 0.566 4.906 4.340 -0.000 0.000 0.273 1168 L C -1.261 175.488 176.870 -0.201 0.000 1.000 1168 L CA -0.844 53.863 54.840 -0.222 0.000 0.819 1168 L CB 2.071 43.921 42.059 -0.348 0.000 1.284 1168 L HN 0.514 nan 8.230 nan 0.000 0.418 1169 D N 1.931 122.168 120.400 -0.272 0.000 2.381 1169 D HA 0.276 4.916 4.640 -0.000 0.000 0.235 1169 D C 0.344 176.383 176.300 -0.435 0.000 1.068 1169 D CA -0.276 53.539 54.000 -0.308 0.000 0.832 1169 D CB 1.716 42.412 40.800 -0.174 0.000 1.101 1169 D HN 0.262 nan 8.370 nan 0.000 0.515 1170 F N 0.818 120.442 119.950 -0.543 0.000 2.416 1170 F HA 0.058 4.585 4.527 -0.000 0.000 0.296 1170 F C 0.672 176.250 175.800 -0.370 0.000 1.099 1170 F CA 0.564 58.240 58.000 -0.540 0.000 1.427 1170 F CB 0.300 38.926 39.000 -0.623 0.000 1.079 1170 F HN 0.177 nan 8.300 nan 0.000 0.536 1171 L N -1.137 119.912 121.223 -0.289 0.000 2.301 1171 L HA 0.476 4.816 4.340 -0.000 0.000 0.264 1171 L C -2.295 174.204 176.870 -0.618 0.000 1.016 1171 L CA -2.642 51.896 54.840 -0.504 0.000 0.821 1171 L CB 0.622 42.273 42.059 -0.681 0.000 1.346 1171 L HN -0.348 nan 8.230 nan 0.000 0.429 1172 P HA 0.176 nan 4.420 nan 0.000 0.272 1172 P C -0.142 176.849 177.300 -0.516 0.000 1.223 1172 P CA -0.252 62.468 63.100 -0.634 0.000 0.784 1172 P CB 0.562 31.860 31.700 -0.670 0.000 0.923 1173 K N 0.323 120.604 120.400 -0.198 0.000 2.418 1173 K HA 0.055 4.375 4.320 -0.000 0.000 0.195 1173 K C 0.211 176.818 176.600 0.011 0.000 1.035 1173 K CA 0.454 56.686 56.287 -0.091 0.000 1.003 1173 K CB -0.088 32.390 32.500 -0.036 0.000 0.793 1173 K HN 0.475 nan 8.250 nan 0.000 0.494 1174 E N 1.263 121.522 120.200 0.098 0.000 2.481 1174 E HA -0.075 4.275 4.350 -0.000 0.000 0.263 1174 E C 1.222 177.943 176.600 0.201 0.000 0.992 1174 E CA 0.086 56.626 56.400 0.233 0.000 0.938 1174 E CB 0.273 30.244 29.700 0.452 0.000 0.933 1174 E HN 0.011 nan 8.360 nan 0.000 0.453 1175 L N 1.837 123.100 121.223 0.066 0.000 2.351 1175 L HA -0.181 4.159 4.340 -0.000 0.000 0.220 1175 L C 2.018 178.858 176.870 -0.050 0.000 1.127 1175 L CA 1.172 55.895 54.840 -0.195 0.000 0.786 1175 L CB -0.646 40.903 42.059 -0.850 0.000 0.914 1175 L HN 0.735 nan 8.230 nan 0.000 0.443 1176 G N 0.129 109.081 108.800 0.254 0.000 2.450 1176 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 1176 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 1176 G C 0.490 175.391 174.900 0.001 0.000 1.130 1176 G CA 0.161 45.417 45.100 0.260 0.000 0.760 1176 G HN 0.184 nan 8.290 nan 0.000 0.557 1177 F N 0.865 120.787 119.950 -0.047 0.000 2.404 1177 F HA 0.324 4.851 4.527 -0.000 0.000 0.339 1177 F C 0.649 176.448 175.800 -0.001 0.000 1.105 1177 F CA -0.935 57.017 58.000 -0.081 0.000 1.087 1177 F CB 1.788 40.611 39.000 -0.294 0.000 1.143 1177 F HN 0.092 nan 8.300 nan 0.000 0.491 1178 D N 2.123 122.652 120.400 0.215 0.000 2.462 1178 D HA 0.189 4.829 4.640 -0.000 0.000 0.221 1178 D C -0.272 176.088 176.300 0.100 0.000 1.173 1178 D CA 0.089 54.142 54.000 0.089 0.000 0.831 1178 D CB 0.019 40.789 40.800 -0.049 0.000 1.001 1178 D HN 0.563 nan 8.370 nan 0.000 0.499 1179 M N -2.495 117.174 119.600 0.114 0.000 3.084 1179 M HA 0.503 4.983 4.480 -0.000 0.000 0.273 1179 M C -2.002 174.257 176.300 -0.068 0.000 1.242 1179 M CA -0.939 54.386 55.300 0.042 0.000 0.819 1179 M CB 2.166 34.820 32.600 0.089 0.000 1.625 1179 M HN -0.174 nan 8.290 nan 0.000 0.493 1180 N N -0.339 118.243 118.700 -0.197 0.000 2.935 1180 N HA 0.629 5.369 4.740 -0.000 0.000 0.248 1180 N C -2.017 173.118 175.510 -0.625 0.000 1.276 1180 N CA -0.731 52.080 53.050 -0.399 0.000 0.906 1180 N CB 1.890 40.165 38.487 -0.352 0.000 1.564 1180 N HN 0.668 nan 8.380 nan 0.000 0.500 1181 M N 2.185 121.268 119.600 -0.862 0.000 2.383 1181 M HA 0.401 4.881 4.480 -0.000 0.000 0.325 1181 M C -1.164 174.579 176.300 -0.928 0.000 1.092 1181 M CA -0.275 54.420 55.300 -1.008 0.000 0.961 1181 M CB 1.018 32.694 32.600 -1.541 0.000 1.672 1181 M HN 0.647 nan 8.290 nan 0.000 0.438 1182 H N 1.251 119.874 119.070 -0.745 0.000 2.865 1182 H HA 0.721 5.277 4.556 -0.000 0.000 0.372 1182 H C -1.031 174.028 175.328 -0.448 0.000 1.173 1182 H CA -0.558 55.152 56.048 -0.564 0.000 1.147 1182 H CB 2.445 31.677 29.762 -0.883 0.000 1.805 1182 H HN 0.573 nan 8.280 nan 0.000 0.553 1183 I N 2.182 122.700 120.570 -0.086 0.000 2.499 1183 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 1183 I C -1.094 174.883 176.117 -0.233 0.000 1.048 1183 I CA -0.483 60.728 61.300 -0.148 0.000 1.062 1183 I CB 1.671 39.659 38.000 -0.019 0.000 1.238 1183 I HN 0.221 nan 8.210 nan 0.000 0.426 1184 L N 5.128 126.083 121.223 -0.445 0.000 2.322 1184 L HA 0.511 4.851 4.340 -0.000 0.000 0.281 1184 L C -0.231 176.430 176.870 -0.349 0.000 1.014 1184 L CA -0.200 54.366 54.840 -0.456 0.000 0.815 1184 L CB 2.002 43.672 42.059 -0.649 0.000 1.247 1184 L HN 0.494 nan 8.230 nan 0.000 0.421 1185 S N 2.484 118.018 115.700 -0.275 0.000 2.526 1185 S HA 0.734 5.204 4.470 -0.000 0.000 0.293 1185 S C -1.261 173.242 174.600 -0.162 0.000 1.092 1185 S CA -0.379 57.758 58.200 -0.105 0.000 0.980 1185 S CB 0.857 64.007 63.200 -0.083 0.000 1.048 1185 S HN 0.306 nan 8.310 nan 0.000 0.483 1186 F N 2.504 122.497 119.950 0.071 0.000 2.577 1186 F HA 0.569 5.096 4.527 -0.000 0.000 0.344 1186 F C 0.558 176.458 175.800 0.165 0.000 1.145 1186 F CA -0.758 57.342 58.000 0.167 0.000 0.996 1186 F CB 1.295 40.481 39.000 0.311 0.000 1.248 1186 F HN 0.701 nan 8.300 nan 0.000 0.447 1187 A N 4.874 127.839 122.820 0.241 0.000 2.466 1187 A HA 0.386 4.706 4.320 -0.000 0.000 0.238 1187 A C -1.556 176.149 177.584 0.201 0.000 1.074 1187 A CA -0.848 51.294 52.037 0.177 0.000 0.774 1187 A CB 0.048 19.111 19.000 0.105 0.000 1.015 1187 A HN 0.590 nan 8.150 nan 0.000 0.498 1188 P HA -0.166 nan 4.420 nan 0.000 0.211 1188 P C 1.474 178.840 177.300 0.109 0.000 1.181 1188 P CA 2.062 65.240 63.100 0.130 0.000 0.929 1188 P CB -0.076 31.679 31.700 0.091 0.000 0.789 1189 G N -0.809 108.037 108.800 0.076 0.000 2.843 1189 G HA2 0.096 4.056 3.960 -0.000 0.000 0.205 1189 G HA3 0.096 4.056 3.960 -0.000 0.000 0.205 1189 G C 0.492 175.421 174.900 0.048 0.000 1.160 1189 G CA 0.292 45.421 45.100 0.048 0.000 0.819 1189 G HN 0.499 nan 8.290 nan 0.000 0.516 1190 A N -0.330 122.552 122.820 0.102 0.000 2.520 1190 A HA 0.472 4.792 4.320 -0.000 0.000 0.235 1190 A C 1.230 178.850 177.584 0.060 0.000 1.065 1190 A CA 0.502 52.613 52.037 0.122 0.000 0.764 1190 A CB 0.446 19.621 19.000 0.291 0.000 1.002 1190 A HN 0.217 nan 8.150 nan 0.000 0.502 1191 S N 0.117 115.799 115.700 -0.030 0.000 2.701 1191 S HA 0.198 4.668 4.470 -0.000 0.000 0.242 1191 S C 0.063 174.618 174.600 -0.075 0.000 1.025 1191 S CA -0.112 58.026 58.200 -0.103 0.000 1.016 1191 S CB -0.146 62.938 63.200 -0.193 0.000 0.977 1191 S HN 0.823 nan 8.310 nan 0.000 0.546 1192 H N -0.201 118.974 119.070 0.175 0.000 2.616 1192 H HA 0.706 5.262 4.556 -0.000 0.000 0.353 1192 H C 0.412 176.005 175.328 0.441 0.000 1.170 1192 H CA -0.625 55.564 56.048 0.234 0.000 1.212 1192 H CB 1.703 31.574 29.762 0.181 0.000 1.653 1192 H HN 0.303 nan 8.280 nan 0.000 0.537 1193 G N 0.163 109.305 108.800 0.571 0.000 2.694 1193 G HA2 0.277 4.237 3.960 -0.000 0.000 0.290 1193 G HA3 0.277 4.237 3.960 -0.000 0.000 0.290 1193 G C -2.105 173.101 174.900 0.510 0.000 1.386 1193 G CA -0.689 44.716 45.100 0.508 0.000 0.872 1193 G HN 0.546 nan 8.290 nan 0.000 0.475 1194 Y N 1.309 121.751 120.300 0.238 0.000 2.310 1194 Y HA 0.702 5.252 4.550 -0.000 0.000 0.326 1194 Y C 0.058 175.938 175.900 -0.032 0.000 1.151 1194 Y CA -0.743 57.463 58.100 0.176 0.000 1.195 1194 Y CB 0.948 39.538 38.460 0.216 0.000 1.210 1194 Y HN 0.545 nan 8.280 nan 0.000 0.483 1195 I N 2.527 122.667 120.570 -0.717 0.000 2.908 1195 I HA 0.626 4.796 4.170 -0.000 0.000 0.300 1195 I C -1.558 174.130 176.117 -0.715 0.000 1.385 1195 I CA -0.909 59.994 61.300 -0.661 0.000 1.004 1195 I CB 1.844 39.669 38.000 -0.292 0.000 1.309 1195 I HN 0.862 nan 8.210 nan 0.000 0.449 1196 E N 1.614 121.510 120.200 -0.505 0.000 2.405 1196 E HA 0.463 4.813 4.350 -0.000 0.000 0.283 1196 E C -1.885 174.602 176.600 -0.188 0.000 1.140 1196 E CA -0.335 55.903 56.400 -0.271 0.000 0.904 1196 E CB 2.239 31.817 29.700 -0.202 0.000 1.209 1196 E HN 0.842 nan 8.360 nan 0.000 0.428 1197 T N 2.222 116.693 114.554 -0.139 0.000 2.876 1197 T HA 0.705 5.055 4.350 -0.000 0.000 0.289 1197 T C -1.387 173.191 174.700 -0.204 0.000 1.014 1197 T CA -0.720 61.208 62.100 -0.287 0.000 0.986 1197 T CB 0.976 69.742 68.868 -0.170 0.000 1.021 1197 T HN 0.568 nan 8.240 nan 0.000 0.458 1198 H N -1.529 117.509 119.070 -0.054 0.000 3.094 1198 H HA 0.477 5.033 4.556 -0.000 0.000 0.335 1198 H C -0.217 174.956 175.328 -0.259 0.000 1.254 1198 H CA -0.942 55.045 56.048 -0.102 0.000 1.240 1198 H CB -0.137 29.605 29.762 -0.034 0.000 1.936 1198 H HN 0.189 nan 8.280 nan 0.000 0.536 1199 V N 0.450 120.231 119.914 -0.221 0.000 2.788 1199 V HA -0.061 4.058 4.120 -0.000 0.000 0.251 1199 V C 0.306 176.207 176.094 -0.322 0.000 1.068 1199 V CA 1.248 63.180 62.300 -0.613 0.000 1.090 1199 V CB -0.665 30.865 31.823 -0.488 0.000 0.710 1199 V HN 0.750 nan 8.190 nan 0.000 0.467 1200 Q N 0.615 120.323 119.800 -0.154 0.000 2.288 1200 Q HA 0.407 4.747 4.340 -0.000 0.000 0.254 1200 Q C -0.133 175.661 176.000 -0.344 0.000 0.932 1200 Q CA -0.060 55.626 55.803 -0.195 0.000 0.902 1200 Q CB 0.440 29.056 28.738 -0.203 0.000 1.203 1200 Q HN 0.482 nan 8.270 nan 0.000 0.415 1201 E N 1.624 121.711 120.200 -0.188 0.000 2.397 1201 E HA 0.235 4.585 4.350 -0.000 0.000 0.254 1201 E C -0.386 175.975 176.600 -0.399 0.000 1.231 1201 E CA -0.161 56.165 56.400 -0.123 0.000 0.954 1201 E CB 0.456 30.363 29.700 0.344 0.000 1.024 1201 E HN 0.454 nan 8.360 nan 0.000 0.481 1202 H N -1.448 117.688 119.070 0.110 0.000 3.046 1202 H HA 0.460 5.016 4.556 -0.000 0.000 0.363 1202 H C -0.812 174.702 175.328 0.311 0.000 1.203 1202 H CA -0.841 55.279 56.048 0.119 0.000 1.169 1202 H CB 2.024 31.741 29.762 -0.075 0.000 1.851 1202 H HN 0.643 nan 8.280 nan 0.000 0.546 1203 G N 0.514 109.595 108.800 0.468 0.000 2.730 1203 G HA2 0.606 4.566 3.960 -0.000 0.000 0.291 1203 G HA3 0.606 4.566 3.960 -0.000 0.000 0.291 1203 G C -1.049 173.997 174.900 0.243 0.000 1.456 1203 G CA -0.295 45.121 45.100 0.525 0.000 0.996 1203 G HN 0.658 nan 8.290 nan 0.000 0.528 1204 A N 2.189 124.905 122.820 -0.172 0.000 2.342 1204 A HA 0.759 5.079 4.320 -0.000 0.000 0.323 1204 A C -1.719 175.755 177.584 -0.183 0.000 1.125 1204 A CA -0.758 51.203 52.037 -0.126 0.000 0.785 1204 A CB 1.594 20.417 19.000 -0.295 0.000 1.221 1204 A HN 0.939 nan 8.150 nan 0.000 0.463 1205 Y N 3.884 124.102 120.300 -0.136 0.000 2.328 1205 Y HA 0.496 5.046 4.550 -0.000 0.000 0.336 1205 Y C -0.463 175.382 175.900 -0.091 0.000 0.960 1205 Y CA -1.396 56.675 58.100 -0.048 0.000 1.134 1205 Y CB 0.974 39.338 38.460 -0.160 0.000 1.166 1205 Y HN 0.522 nan 8.280 nan 0.000 0.464 1206 I N 8.470 128.710 120.570 -0.552 0.000 2.494 1206 I HA -0.052 4.118 4.170 -0.000 0.000 0.289 1206 I C 1.053 176.906 176.117 -0.441 0.000 1.106 1206 I CA 0.572 61.641 61.300 -0.385 0.000 1.369 1206 I CB 0.400 38.242 38.000 -0.264 0.000 1.410 1206 I HN 0.907 nan 8.210 nan 0.000 0.523 1207 L N 4.763 125.890 121.223 -0.159 0.000 2.109 1207 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 1207 L C 0.991 177.881 176.870 0.033 0.000 1.086 1207 L CA 0.872 55.710 54.840 -0.003 0.000 0.760 1207 L CB -0.176 41.913 42.059 0.051 0.000 0.910 1207 L HN 0.853 nan 8.230 nan 0.000 0.437 1208 S N -2.443 113.279 115.700 0.036 0.000 2.615 1208 S HA 0.640 5.110 4.470 -0.000 0.000 0.268 1208 S C -0.210 174.500 174.600 0.184 0.000 1.146 1208 S CA -0.316 57.941 58.200 0.094 0.000 0.818 1208 S CB 1.394 64.656 63.200 0.102 0.000 1.111 1208 S HN 0.454 nan 8.310 nan 0.000 0.465 1209 G N 0.457 109.364 108.800 0.178 0.000 2.593 1209 G HA2 0.123 4.083 3.960 -0.000 0.000 0.237 1209 G HA3 0.123 4.083 3.960 -0.000 0.000 0.237 1209 G C -0.575 174.442 174.900 0.195 0.000 1.312 1209 G CA 0.340 45.576 45.100 0.226 0.000 0.896 1209 G HN 1.548 nan 8.290 nan 0.000 0.574 1210 Q N -0.639 119.221 119.800 0.100 0.000 2.386 1210 Q HA 0.592 4.932 4.340 -0.000 0.000 0.274 1210 Q C -0.189 175.422 176.000 -0.649 0.000 1.011 1210 Q CA 0.072 55.777 55.803 -0.162 0.000 0.867 1210 Q CB 1.339 30.017 28.738 -0.101 0.000 1.409 1210 Q HN 2.125 nan 8.270 nan 0.000 0.395 1211 G N 0.669 108.852 108.800 -1.029 0.000 2.782 1211 G HA2 0.661 4.621 3.960 -0.000 0.000 0.304 1211 G HA3 0.661 4.621 3.960 -0.000 0.000 0.304 1211 G C -1.693 172.702 174.900 -0.841 0.000 1.315 1211 G CA -0.398 43.890 45.100 -1.353 0.000 0.791 1211 G HN 0.472 nan 8.290 nan 0.000 0.519 1212 V N 0.212 119.593 119.914 -0.890 0.000 2.577 1212 V HA 0.534 4.654 4.120 -0.000 0.000 0.303 1212 V C -1.403 174.617 176.094 -0.124 0.000 1.042 1212 V CA -0.687 61.352 62.300 -0.435 0.000 0.872 1212 V CB 1.440 32.990 31.823 -0.455 0.000 0.998 1212 V HN 0.643 nan 8.190 nan 0.000 0.423 1213 Y N 2.743 122.955 120.300 -0.147 0.000 2.496 1213 Y HA 0.530 5.080 4.550 -0.000 0.000 0.331 1213 Y C 0.382 176.130 175.900 -0.255 0.000 1.140 1213 Y CA -0.969 57.040 58.100 -0.153 0.000 1.166 1213 Y CB 1.944 40.295 38.460 -0.181 0.000 1.249 1213 Y HN 0.719 nan 8.280 nan 0.000 0.479 1214 N N 2.808 121.243 118.700 -0.443 0.000 2.746 1214 N HA 0.268 5.008 4.740 -0.000 0.000 0.250 1214 N C -0.627 174.552 175.510 -0.550 0.000 1.146 1214 N CA -0.204 52.394 53.050 -0.752 0.000 0.828 1214 N CB 0.285 38.028 38.487 -1.240 0.000 1.158 1214 N HN 0.415 nan 8.380 nan 0.000 0.519 1215 L N 0.461 121.369 121.223 -0.525 0.000 1.946 1215 L HA 0.209 4.549 4.340 -0.000 0.000 0.213 1215 L C 0.324 176.851 176.870 -0.572 0.000 1.149 1215 L CA 1.095 55.534 54.840 -0.667 0.000 0.910 1215 L CB -0.888 40.323 42.059 -1.414 0.000 0.939 1215 L HN 0.487 nan 8.230 nan 0.000 0.501 1216 D N 0.998 121.031 120.400 -0.612 0.000 2.713 1216 D HA 0.137 4.777 4.640 -0.000 0.000 0.229 1216 D C 0.391 176.567 176.300 -0.207 0.000 1.136 1216 D CA 0.104 53.953 54.000 -0.252 0.000 1.010 1216 D CB -0.727 40.082 40.800 0.015 0.000 1.084 1216 D HN 0.334 nan 8.370 nan 0.000 0.495 1217 N N 0.486 119.013 118.700 -0.287 0.000 2.815 1217 N HA -0.190 4.550 4.740 -0.000 0.000 0.247 1217 N C -0.452 174.880 175.510 -0.296 0.000 1.030 1217 N CA 0.450 53.335 53.050 -0.275 0.000 0.881 1217 N CB -0.424 37.978 38.487 -0.143 0.000 1.134 1217 N HN 0.319 nan 8.380 nan 0.000 0.582 1218 N N -0.115 118.394 118.700 -0.318 0.000 2.342 1218 N HA 0.231 4.971 4.740 -0.000 0.000 0.293 1218 N C -0.752 174.593 175.510 -0.276 0.000 1.026 1218 N CA -0.253 52.677 53.050 -0.201 0.000 0.857 1218 N CB 0.678 39.139 38.487 -0.042 0.000 1.256 1218 N HN 0.122 nan 8.380 nan 0.000 0.484 1219 W N 2.203 123.477 121.300 -0.042 0.000 2.266 1219 W HA 0.385 5.045 4.660 -0.000 0.000 0.317 1219 W C 0.245 176.741 176.519 -0.037 0.000 1.310 1219 W CA -0.330 56.987 57.345 -0.047 0.000 1.207 1219 W CB 0.597 30.038 29.460 -0.033 0.000 1.199 1219 W HN 0.158 nan 8.180 nan 0.000 0.544 1220 I N 5.777 126.439 120.570 0.154 0.000 2.468 1220 I HA 0.185 4.354 4.170 -0.000 0.000 0.285 1220 I C -2.122 174.022 176.117 0.045 0.000 1.039 1220 I CA -2.803 58.549 61.300 0.086 0.000 1.074 1220 I CB 1.594 39.625 38.000 0.052 0.000 1.228 1220 I HN 0.104 nan 8.210 nan 0.000 0.436 1221 P HA 0.153 nan 4.420 nan 0.000 0.268 1221 P C -0.507 176.750 177.300 -0.071 0.000 1.204 1221 P CA 0.099 63.166 63.100 -0.054 0.000 0.768 1221 P CB 1.454 33.127 31.700 -0.044 0.000 0.842 1222 V N 4.385 124.219 119.914 -0.133 0.000 2.864 1222 V HA 0.609 4.729 4.120 -0.000 0.000 0.314 1222 V C 0.381 176.410 176.094 -0.108 0.000 1.073 1222 V CA -0.428 61.798 62.300 -0.123 0.000 0.956 1222 V CB 2.123 33.855 31.823 -0.152 0.000 1.023 1222 V HN 0.730 nan 8.190 nan 0.000 0.435 1223 K N 1.751 122.119 120.400 -0.054 0.000 2.578 1223 K HA 0.507 4.827 4.320 -0.000 0.000 0.287 1223 K C -0.964 175.619 176.600 -0.029 0.000 1.010 1223 K CA -1.131 55.148 56.287 -0.013 0.000 0.889 1223 K CB 1.997 34.480 32.500 -0.028 0.000 1.514 1223 K HN 0.405 nan 8.250 nan 0.000 0.424 1224 K N 0.217 120.616 120.400 -0.002 0.000 2.511 1224 K HA -0.020 4.300 4.320 -0.000 0.000 0.277 1224 K C 0.721 177.255 176.600 -0.111 0.000 1.025 1224 K CA 2.158 58.408 56.287 -0.062 0.000 1.112 1224 K CB -0.537 31.969 32.500 0.011 0.000 0.859 1224 K HN 0.879 nan 8.250 nan 0.000 0.485 1225 G N 3.016 111.639 108.800 -0.295 0.000 2.232 1225 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.226 1225 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.226 1225 G C -0.363 174.456 174.900 -0.135 0.000 0.996 1225 G CA 0.115 45.116 45.100 -0.165 0.000 0.626 1225 G HN 0.708 nan 8.290 nan 0.000 0.509 1226 D N -0.322 119.966 120.400 -0.187 0.000 2.344 1226 D HA 0.583 5.222 4.640 -0.000 0.000 0.244 1226 D C -0.286 175.999 176.300 -0.024 0.000 1.134 1226 D CA 0.218 54.178 54.000 -0.066 0.000 0.930 1226 D CB 0.936 41.677 40.800 -0.099 0.000 1.175 1226 D HN 0.280 nan 8.370 nan 0.000 0.437 1227 Y N 0.463 120.768 120.300 0.008 0.000 2.462 1227 Y HA 0.556 5.106 4.550 -0.000 0.000 0.346 1227 Y C -1.237 174.696 175.900 0.055 0.000 0.976 1227 Y CA -0.820 57.340 58.100 0.101 0.000 1.044 1227 Y CB 1.019 39.631 38.460 0.253 0.000 1.230 1227 Y HN 0.249 nan 8.280 nan 0.000 0.455 1228 I N 6.732 126.812 120.570 -0.816 0.000 2.499 1228 I HA 0.300 4.469 4.170 -0.000 0.000 0.288 1228 I C -1.544 174.323 176.117 -0.416 0.000 1.048 1228 I CA -0.786 60.238 61.300 -0.460 0.000 1.062 1228 I CB 2.128 39.862 38.000 -0.443 0.000 1.238 1228 I HN 0.620 nan 8.210 nan 0.000 0.426 1229 F N 7.315 127.191 119.950 -0.123 0.000 2.361 1229 F HA 0.583 5.110 4.527 -0.000 0.000 0.364 1229 F C -0.529 175.385 175.800 0.191 0.000 1.117 1229 F CA -0.646 57.411 58.000 0.095 0.000 1.071 1229 F CB 0.901 40.023 39.000 0.204 0.000 1.188 1229 F HN 0.344 nan 8.300 nan 0.000 0.464 1230 M N 6.710 126.080 119.600 -0.384 0.000 2.055 1230 M HA 0.323 4.803 4.480 -0.000 0.000 0.347 1230 M C 0.661 176.604 176.300 -0.595 0.000 1.123 1230 M CA -0.418 54.726 55.300 -0.261 0.000 1.035 1230 M CB 0.904 33.568 32.600 0.107 0.000 1.484 1230 M HN 0.749 nan 8.290 nan 0.000 0.428 1231 G N 2.055 110.451 108.800 -0.672 0.000 2.684 1231 G HA2 0.517 4.477 3.960 -0.000 0.000 0.255 1231 G HA3 0.517 4.477 3.960 -0.000 0.000 0.255 1231 G C -0.241 174.629 174.900 -0.049 0.000 1.219 1231 G CA -0.697 44.140 45.100 -0.438 0.000 0.901 1231 G HN 0.847 nan 8.290 nan 0.000 0.548 1232 A N -0.837 122.015 122.820 0.054 0.000 2.488 1232 A HA 0.499 4.819 4.320 -0.000 0.000 0.249 1232 A C -0.495 177.171 177.584 0.137 0.000 1.083 1232 A CA -0.029 52.024 52.037 0.027 0.000 0.768 1232 A CB -0.622 18.399 19.000 0.036 0.000 1.017 1232 A HN 1.286 nan 8.150 nan 0.000 0.496 1233 Y N 0.286 120.584 120.300 -0.003 0.000 3.165 1233 Y HA -0.186 4.364 4.550 -0.000 0.000 0.187 1233 Y C 0.724 176.551 175.900 -0.123 0.000 1.678 1233 Y CA 0.888 58.946 58.100 -0.070 0.000 1.249 1233 Y CB -2.258 36.186 38.460 -0.026 0.000 1.499 1233 Y HN 1.174 nan 8.280 nan 0.000 0.461 1234 S N -0.640 114.963 115.700 -0.163 0.000 2.595 1234 S HA 0.865 5.335 4.470 -0.000 0.000 0.281 1234 S C -1.114 173.272 174.600 -0.357 0.000 1.117 1234 S CA -1.127 56.968 58.200 -0.175 0.000 0.873 1234 S CB 2.730 65.887 63.200 -0.072 0.000 1.108 1234 S HN 0.577 nan 8.310 nan 0.000 0.477 1235 L N 2.141 123.217 121.223 -0.246 0.000 2.287 1235 L HA 0.595 4.935 4.340 -0.000 0.000 0.287 1235 L C -0.679 176.038 176.870 -0.255 0.000 1.022 1235 L CA -0.112 54.568 54.840 -0.267 0.000 0.814 1235 L CB 1.199 43.127 42.059 -0.219 0.000 1.217 1235 L HN 0.768 nan 8.230 nan 0.000 0.420 1236 Q N 4.005 123.657 119.800 -0.247 0.000 2.240 1236 Q HA 0.938 5.278 4.340 -0.000 0.000 0.260 1236 Q C -0.987 174.747 176.000 -0.445 0.000 1.018 1236 Q CA -0.740 54.906 55.803 -0.261 0.000 0.898 1236 Q CB 2.054 30.776 28.738 -0.026 0.000 1.301 1236 Q HN 0.868 nan 8.270 nan 0.000 0.469 1237 A N -0.662 121.818 122.820 -0.567 0.000 2.585 1237 A HA 0.710 5.030 4.320 -0.000 0.000 0.299 1237 A C -0.900 176.288 177.584 -0.661 0.000 1.047 1237 A CA 0.061 51.783 52.037 -0.526 0.000 0.723 1237 A CB 1.344 20.105 19.000 -0.398 0.000 1.275 1237 A HN 0.832 nan 8.150 nan 0.000 0.408 1238 G N -0.209 108.370 108.800 -0.368 0.000 2.559 1238 G HA2 0.857 4.817 3.960 -0.000 0.000 0.291 1238 G HA3 0.857 4.817 3.960 -0.000 0.000 0.291 1238 G C -1.475 173.419 174.900 -0.010 0.000 1.424 1238 G CA 0.251 45.178 45.100 -0.288 0.000 0.786 1238 G HN 2.245 nan 8.290 nan 0.000 0.485 1239 Y N -1.671 118.558 120.300 -0.118 0.000 2.592 1239 Y HA 0.765 5.315 4.550 -0.000 0.000 0.334 1239 Y C 0.204 175.886 175.900 -0.363 0.000 1.136 1239 Y CA -1.141 56.809 58.100 -0.250 0.000 1.042 1239 Y CB 0.854 39.265 38.460 -0.081 0.000 1.325 1239 Y HN 1.041 nan 8.280 nan 0.000 0.457 1240 G N 1.070 109.846 108.800 -0.039 0.000 2.539 1240 G HA2 0.558 4.518 3.960 -0.000 0.000 0.258 1240 G HA3 0.558 4.518 3.960 -0.000 0.000 0.258 1240 G C -0.980 173.963 174.900 0.071 0.000 1.202 1240 G CA 0.008 45.079 45.100 -0.049 0.000 0.851 1240 G HN 1.527 nan 8.290 nan 0.000 0.556 1247 F N 3.976 124.029 119.950 0.171 0.000 2.464 1247 F HA 0.562 5.089 4.527 -0.000 0.000 0.353 1247 F C 0.581 176.539 175.800 0.262 0.000 1.191 1247 F CA -0.071 58.032 58.000 0.172 0.000 1.147 1247 F CB 0.348 39.420 39.000 0.122 0.000 1.294 1247 F HN 0.725 nan 8.300 nan 0.000 0.583 1248 S N 6.398 122.034 115.700 -0.108 0.000 2.526 1248 S HA 0.788 5.258 4.470 -0.000 0.000 0.293 1248 S C -1.265 173.208 174.600 -0.211 0.000 1.092 1248 S CA -0.587 57.493 58.200 -0.199 0.000 0.980 1248 S CB 1.785 64.945 63.200 -0.066 0.000 1.048 1248 S HN 0.644 nan 8.310 nan 0.000 0.483 1249 Y N 0.697 120.789 120.300 -0.347 0.000 2.534 1249 Y HA 0.757 5.307 4.550 -0.000 0.000 0.345 1249 Y C -1.083 174.701 175.900 -0.194 0.000 1.031 1249 Y CA -1.493 56.423 58.100 -0.306 0.000 1.022 1249 Y CB 0.947 39.161 38.460 -0.410 0.000 1.292 1249 Y HN 0.844 nan 8.280 nan 0.000 0.459 1250 I N 4.589 125.104 120.570 -0.091 0.000 2.498 1250 I HA 0.600 4.770 4.170 -0.000 0.000 0.301 1250 I C -1.552 174.534 176.117 -0.052 0.000 0.984 1250 I CA -1.006 60.146 61.300 -0.246 0.000 1.204 1250 I CB 1.327 38.973 38.000 -0.590 0.000 1.362 1250 I HN 0.836 nan 8.210 nan 0.000 0.471 1251 Y N 3.895 124.047 120.300 -0.246 0.000 2.558 1251 Y HA 0.596 5.146 4.550 -0.000 0.000 0.333 1251 Y C -0.871 174.919 175.900 -0.183 0.000 1.125 1251 Y CA -1.043 56.971 58.100 -0.143 0.000 1.039 1251 Y CB 0.364 38.803 38.460 -0.035 0.000 1.331 1251 Y HN 0.578 nan 8.280 nan 0.000 0.456 1252 S N 2.549 118.192 115.700 -0.096 0.000 2.669 1252 S HA 0.712 5.182 4.470 -0.000 0.000 0.270 1252 S C -0.778 173.844 174.600 0.036 0.000 1.225 1252 S CA -0.678 57.323 58.200 -0.331 0.000 0.991 1252 S CB 1.710 64.512 63.200 -0.664 0.000 0.987 1252 S HN 0.983 nan 8.310 nan 0.000 0.552 1253 K N 0.897 121.262 120.400 -0.058 0.000 2.578 1253 K HA 0.109 4.429 4.320 -0.000 0.000 0.263 1253 K C -2.005 174.608 176.600 0.021 0.000 0.973 1253 K CA -0.501 55.852 56.287 0.110 0.000 0.909 1253 K CB 1.107 33.781 32.500 0.289 0.000 1.326 1253 K HN 0.911 nan 8.250 nan 0.000 0.440 1254 D N 3.056 123.475 120.400 0.032 0.000 2.313 1254 D HA 0.452 5.092 4.640 -0.000 0.000 0.247 1254 D C 0.303 176.622 176.300 0.032 0.000 1.094 1254 D CA -0.192 53.838 54.000 0.049 0.000 0.925 1254 D CB 1.358 42.205 40.800 0.079 0.000 1.188 1254 D HN 0.808 nan 8.370 nan 0.000 0.430 1255 C N -1.311 118.005 119.300 0.028 0.000 3.284 1255 C HA 0.443 4.903 4.460 -0.000 0.000 0.348 1255 C C -0.191 174.799 174.990 0.001 0.000 1.448 1255 C CA -0.965 58.063 59.018 0.016 0.000 1.223 1255 C CB 0.550 28.305 27.740 0.026 0.000 1.588 1255 C HN 0.755 nan 8.230 nan 0.000 0.451 1256 N N 0.270 118.964 118.700 -0.010 0.000 2.708 1256 N HA -0.159 4.581 4.740 -0.000 0.000 0.251 1256 N C -0.540 174.935 175.510 -0.059 0.000 1.123 1256 N CA 1.408 54.437 53.050 -0.036 0.000 0.739 1256 N CB -0.839 37.626 38.487 -0.038 0.000 1.113 1256 N HN 0.787 nan 8.380 nan 0.000 0.561 1257 R N 0.221 120.695 120.500 -0.044 0.000 2.744 1257 R HA 0.351 4.691 4.340 -0.000 0.000 0.279 1257 R C -0.210 176.071 176.300 -0.032 0.000 0.977 1257 R CA -0.724 55.344 56.100 -0.053 0.000 0.906 1257 R CB 1.729 31.989 30.300 -0.066 0.000 1.197 1257 R HN 0.000 nan 8.270 nan 0.000 0.463 1258 D N 0.260 120.643 120.400 -0.029 0.000 2.383 1258 D HA 0.197 4.837 4.640 -0.000 0.000 0.248 1258 D C -0.632 175.664 176.300 -0.006 0.000 1.170 1258 D CA -0.340 53.653 54.000 -0.012 0.000 0.977 1258 D CB 1.215 42.011 40.800 -0.007 0.000 1.120 1258 D HN 0.058 nan 8.370 nan 0.000 0.481 1259 V N 2.866 122.784 119.914 0.006 0.000 2.370 1259 V HA 0.183 4.303 4.120 -0.000 0.000 0.279 1259 V C 0.186 176.289 176.094 0.014 0.000 1.029 1259 V CA -0.696 61.612 62.300 0.014 0.000 0.870 1259 V CB 1.211 33.051 31.823 0.029 0.000 0.984 1259 V HN 0.452 nan 8.190 nan 0.000 0.451 1260 E N 3.293 123.499 120.200 0.011 0.000 2.366 1260 E HA 0.394 4.744 4.350 -0.000 0.000 0.266 1260 E C -0.237 176.373 176.600 0.017 0.000 1.051 1260 E CA -0.218 56.188 56.400 0.011 0.000 0.884 1260 E CB 2.120 31.823 29.700 0.005 0.000 1.006 1260 E HN 0.515 nan 8.360 nan 0.000 0.417 1261 I N 0.000 120.580 120.570 0.017 0.000 2.984 1261 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1261 I CA 0.000 61.311 61.300 0.018 0.000 1.566 1261 I CB 0.000 38.011 38.000 0.018 0.000 1.214 1261 I HN 0.000 nan 8.210 nan 0.000 0.494