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 1qpq_1_C DATA FIRST_RESID 1002 DATA SEQUENCE GLSDWELAAA RAAIARGLDE DLRYGPDVTT LATVPASATT TASLVTREAG DATA SEQUENCE VVAGLDVALL TLNEVLGTNG YRVLDRVEDG ARVPPGEALM TLEAQTRGLL DATA SEQUENCE TAERTMLNLV GHLSGIATAT AAWVDAVRGT KAKIRDTRKT LPGLRALQKY DATA SEQUENCE AVRTGGGVNH RLGLGDAALI KDNHVAAAGS VVDALRAVRN AAPDLPCEVE DATA SEQUENCE VDSLEQLDAV LPEKPELILL DNFAVWQTQT AVQRRDSRAP TVMLESSGGL DATA SEQUENCE SLQTAATYAE TGVDYLAVGA LTHSVRVLDI GLDM 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 1002 G HA2 0.000 nan 3.960 nan 0.000 0.244 1002 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1002 G C 0.000 174.885 174.900 -0.024 0.000 0.946 1002 G CA 0.000 45.126 45.100 0.042 0.000 0.502 1003 L N 1.521 122.649 121.223 -0.158 0.000 2.417 1003 L HA 0.499 4.839 4.340 -0.000 0.000 0.268 1003 L C 1.321 178.119 176.870 -0.121 0.000 1.158 1003 L CA -0.418 54.255 54.840 -0.278 0.000 0.819 1003 L CB 1.352 43.199 42.059 -0.354 0.000 1.112 1003 L HN 0.743 nan 8.230 nan 0.000 0.458 1004 S N -0.237 115.406 115.700 -0.095 0.000 2.713 1004 S HA 0.197 4.667 4.470 -0.000 0.000 0.277 1004 S C 0.621 175.217 174.600 -0.007 0.000 1.168 1004 S CA -0.802 57.392 58.200 -0.009 0.000 0.994 1004 S CB 1.251 64.482 63.200 0.052 0.000 1.054 1004 S HN 0.628 nan 8.310 nan 0.000 0.555 1005 D N 0.351 120.781 120.400 0.050 0.000 2.092 1005 D HA -0.166 4.474 4.640 -0.000 0.000 0.193 1005 D C 1.608 177.988 176.300 0.133 0.000 0.994 1005 D CA 1.487 55.530 54.000 0.072 0.000 0.828 1005 D CB -0.331 40.520 40.800 0.086 0.000 0.963 1005 D HN 0.819 nan 8.370 nan 0.000 0.450 1006 W N 2.058 123.345 121.300 -0.022 0.000 2.358 1006 W HA -0.192 4.468 4.660 -0.000 0.000 0.303 1006 W C 1.744 178.245 176.519 -0.030 0.000 1.208 1006 W CA 1.041 58.374 57.345 -0.019 0.000 1.274 1006 W CB 0.106 29.561 29.460 -0.009 0.000 1.138 1006 W HN -0.003 nan 8.180 nan 0.000 0.515 1007 E N 0.546 120.553 120.200 -0.321 0.000 2.106 1007 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 1007 E C 2.070 178.452 176.600 -0.363 0.000 0.984 1007 E CA 1.205 57.306 56.400 -0.498 0.000 0.806 1007 E CB -0.414 29.062 29.700 -0.374 0.000 0.750 1007 E HN 0.144 nan 8.360 nan 0.000 0.458 1008 L N 0.827 121.922 121.223 -0.213 0.000 2.046 1008 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 1008 L C 2.222 179.016 176.870 -0.127 0.000 1.077 1008 L CA 1.871 56.622 54.840 -0.147 0.000 0.747 1008 L CB -0.701 41.312 42.059 -0.077 0.000 0.896 1008 L HN 0.063 nan 8.230 nan 0.000 0.432 1009 A N -1.156 121.610 122.820 -0.090 0.000 1.930 1009 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 1009 A C 2.409 179.920 177.584 -0.122 0.000 1.175 1009 A CA 1.521 53.536 52.037 -0.036 0.000 0.627 1009 A CB -0.882 18.182 19.000 0.106 0.000 0.815 1009 A HN 0.456 nan 8.150 nan 0.000 0.443 1010 A N -0.110 122.502 122.820 -0.346 0.000 1.930 1010 A HA 0.220 4.540 4.320 -0.000 0.000 0.217 1010 A C 2.474 179.907 177.584 -0.252 0.000 1.175 1010 A CA 1.854 53.630 52.037 -0.435 0.000 0.627 1010 A CB -0.913 17.564 19.000 -0.872 0.000 0.815 1010 A HN 0.955 nan 8.150 nan 0.000 0.443 1011 A N 0.088 122.767 122.820 -0.235 0.000 1.877 1011 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 1011 A C 2.251 179.771 177.584 -0.107 0.000 1.186 1011 A CA 1.523 53.463 52.037 -0.161 0.000 0.620 1011 A CB -0.502 18.401 19.000 -0.162 0.000 0.822 1011 A HN 0.540 nan 8.150 nan 0.000 0.443 1012 R N -0.518 119.928 120.500 -0.090 0.000 2.081 1012 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 1012 R C 2.494 178.767 176.300 -0.045 0.000 1.131 1012 R CA 1.225 57.293 56.100 -0.054 0.000 0.960 1012 R CB -0.531 29.748 30.300 -0.035 0.000 0.856 1012 R HN 0.522 nan 8.270 nan 0.000 0.436 1013 A N 1.418 124.209 122.820 -0.048 0.000 1.877 1013 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 1013 A C 2.406 179.967 177.584 -0.038 0.000 1.186 1013 A CA 1.800 53.818 52.037 -0.031 0.000 0.620 1013 A CB -0.672 18.317 19.000 -0.019 0.000 0.822 1013 A HN 0.405 nan 8.150 nan 0.000 0.443 1014 A N 0.321 123.106 122.820 -0.059 0.000 1.873 1014 A HA -0.029 4.290 4.320 -0.000 0.000 0.215 1014 A C 2.132 179.688 177.584 -0.047 0.000 1.186 1014 A CA 1.718 53.721 52.037 -0.056 0.000 0.616 1014 A CB -0.797 18.158 19.000 -0.074 0.000 0.823 1014 A HN 1.134 nan 8.150 nan 0.000 0.442 1015 I N -1.228 119.312 120.570 -0.049 0.000 2.226 1015 I HA -0.103 4.067 4.170 -0.000 0.000 0.245 1015 I C 2.301 178.399 176.117 -0.031 0.000 1.100 1015 I CA 1.871 63.147 61.300 -0.041 0.000 1.374 1015 I CB -0.787 37.187 38.000 -0.044 0.000 1.057 1015 I HN 0.171 nan 8.210 nan 0.000 0.413 1016 A N 1.036 123.839 122.820 -0.028 0.000 1.940 1016 A HA -0.190 4.129 4.320 -0.000 0.000 0.219 1016 A C 2.492 180.063 177.584 -0.020 0.000 1.176 1016 A CA 1.974 53.998 52.037 -0.021 0.000 0.631 1016 A CB -0.748 18.242 19.000 -0.017 0.000 0.814 1016 A HN 0.577 nan 8.150 nan 0.000 0.446 1017 R N -1.068 119.419 120.500 -0.022 0.000 2.090 1017 R HA -0.047 4.293 4.340 -0.000 0.000 0.228 1017 R C 2.439 178.729 176.300 -0.017 0.000 1.110 1017 R CA 0.944 57.032 56.100 -0.019 0.000 0.973 1017 R CB -0.563 29.725 30.300 -0.020 0.000 0.869 1017 R HN 0.525 nan 8.270 nan 0.000 0.440 1018 G N 1.388 110.176 108.800 -0.021 0.000 2.433 1018 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 1018 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 1018 G C 1.443 176.338 174.900 -0.008 0.000 1.186 1018 G CA 0.476 45.567 45.100 -0.016 0.000 0.779 1018 G HN 0.109 nan 8.290 nan 0.000 0.543 1019 L N 0.424 121.639 121.223 -0.012 0.000 2.046 1019 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 1019 L C 2.548 179.414 176.870 -0.006 0.000 1.077 1019 L CA 1.514 56.349 54.840 -0.008 0.000 0.747 1019 L CB -0.374 41.677 42.059 -0.013 0.000 0.896 1019 L HN 0.243 nan 8.230 nan 0.000 0.432 1020 D N 0.045 120.437 120.400 -0.013 0.000 2.178 1020 D HA -0.203 4.437 4.640 -0.000 0.000 0.201 1020 D C 2.004 178.293 176.300 -0.018 0.000 0.980 1020 D CA 1.202 55.187 54.000 -0.024 0.000 0.842 1020 D CB 0.154 40.936 40.800 -0.031 0.000 0.948 1020 D HN 0.311 nan 8.370 nan 0.000 0.472 1021 E N -0.310 119.895 120.200 0.008 0.000 2.110 1021 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 1021 E C 1.482 178.147 176.600 0.108 0.000 0.988 1021 E CA 1.039 57.470 56.400 0.051 0.000 0.804 1021 E CB 0.023 29.753 29.700 0.049 0.000 0.745 1021 E HN 0.328 nan 8.360 nan 0.000 0.458 1022 D N 0.346 120.788 120.400 0.070 0.000 2.123 1022 D HA -0.061 4.579 4.640 -0.000 0.000 0.200 1022 D C 1.783 178.143 176.300 0.100 0.000 0.976 1022 D CA 0.831 54.882 54.000 0.085 0.000 0.831 1022 D CB 0.132 40.957 40.800 0.041 0.000 0.974 1022 D HN 0.123 nan 8.370 nan 0.000 0.469 1023 L N 0.089 121.339 121.223 0.045 0.000 2.509 1023 L HA 0.176 4.516 4.340 -0.000 0.000 0.222 1023 L C 2.292 179.141 176.870 -0.034 0.000 1.123 1023 L CA -0.028 54.825 54.840 0.021 0.000 0.856 1023 L CB -0.086 41.972 42.059 -0.001 0.000 0.985 1023 L HN -0.087 nan 8.230 nan 0.000 0.456 1024 R N 0.653 121.079 120.500 -0.124 0.000 2.154 1024 R HA -0.228 4.112 4.340 -0.000 0.000 0.248 1024 R C 1.437 177.404 176.300 -0.556 0.000 1.155 1024 R CA 1.980 57.850 56.100 -0.382 0.000 0.979 1024 R CB -0.175 29.770 30.300 -0.592 0.000 0.869 1024 R HN 0.357 nan 8.270 nan 0.000 0.452 1025 Y N -1.039 119.258 120.300 -0.005 0.000 2.457 1025 Y HA 0.392 4.942 4.550 -0.000 0.000 0.263 1025 Y C 1.009 176.907 175.900 -0.004 0.000 1.164 1025 Y CA 0.325 58.422 58.100 -0.004 0.000 1.274 1025 Y CB 1.021 39.478 38.460 -0.004 0.000 1.097 1025 Y HN 0.327 nan 8.280 nan 0.000 0.523 1026 G N -0.074 108.767 108.800 0.068 0.000 2.359 1026 G HA2 0.098 4.058 3.960 -0.000 0.000 0.303 1026 G HA3 0.098 4.058 3.960 -0.000 0.000 0.303 1026 G C -3.075 171.852 174.900 0.044 0.000 1.293 1026 G CA -1.249 43.880 45.100 0.048 0.000 0.964 1026 G HN -0.161 nan 8.290 nan 0.000 0.531 1027 P HA 0.321 nan 4.420 nan 0.000 0.279 1027 P C -0.818 176.500 177.300 0.029 0.000 1.282 1027 P CA -0.230 62.884 63.100 0.024 0.000 0.788 1027 P CB 0.870 32.579 31.700 0.015 0.000 1.139 1028 D N 0.270 120.683 120.400 0.022 0.000 2.545 1028 D HA -0.015 4.625 4.640 -0.000 0.000 0.227 1028 D C 1.365 177.674 176.300 0.015 0.000 1.150 1028 D CA -0.137 53.875 54.000 0.019 0.000 1.046 1028 D CB -0.654 40.155 40.800 0.014 0.000 1.098 1028 D HN -0.013 nan 8.370 nan 0.000 0.502 1029 V N 3.392 123.316 119.914 0.017 0.000 2.317 1029 V HA -0.277 3.843 4.120 -0.000 0.000 0.251 1029 V C 2.164 178.263 176.094 0.009 0.000 1.065 1029 V CA 2.910 65.218 62.300 0.013 0.000 1.049 1029 V CB -0.584 31.248 31.823 0.014 0.000 0.651 1029 V HN 0.667 nan 8.190 nan 0.000 0.450 1030 T N -1.388 113.171 114.554 0.008 0.000 2.867 1030 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 1030 T C 1.940 176.643 174.700 0.004 0.000 1.057 1030 T CA 2.717 64.820 62.100 0.005 0.000 1.136 1030 T CB -0.570 68.299 68.868 0.002 0.000 0.874 1030 T HN 0.843 nan 8.240 nan 0.000 0.466 1031 T N -0.440 114.117 114.554 0.005 0.000 3.035 1031 T HA 0.112 4.462 4.350 -0.000 0.000 0.259 1031 T C 1.904 176.607 174.700 0.005 0.000 1.078 1031 T CA 0.376 62.479 62.100 0.005 0.000 1.132 1031 T CB -0.389 68.481 68.868 0.004 0.000 0.900 1031 T HN 0.232 nan 8.240 nan 0.000 0.480 1032 L N 1.751 122.978 121.223 0.006 0.000 2.083 1032 L HA 0.311 4.650 4.340 -0.000 0.000 0.209 1032 L C 3.010 179.884 176.870 0.006 0.000 1.083 1032 L CA 1.673 56.517 54.840 0.006 0.000 0.752 1032 L CB -1.214 40.849 42.059 0.008 0.000 0.899 1032 L HN 0.472 nan 8.230 nan 0.000 0.433 1033 A N -1.747 121.076 122.820 0.005 0.000 2.067 1033 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 1033 A C 2.200 179.786 177.584 0.004 0.000 1.156 1033 A CA 1.702 53.742 52.037 0.005 0.000 0.683 1033 A CB -0.634 18.368 19.000 0.004 0.000 0.808 1033 A HN 0.512 nan 8.150 nan 0.000 0.455 1034 T N -4.310 110.246 114.554 0.004 0.000 2.978 1034 T HA 0.338 4.688 4.350 -0.000 0.000 0.248 1034 T C 0.407 175.109 174.700 0.004 0.000 1.018 1034 T CA 0.541 62.643 62.100 0.003 0.000 1.026 1034 T CB -0.230 68.639 68.868 0.003 0.000 1.032 1034 T HN 0.610 nan 8.240 nan 0.000 0.485 1035 V N 3.965 123.882 119.914 0.004 0.000 2.495 1035 V HA 0.663 4.783 4.120 -0.000 0.000 0.298 1035 V C -2.937 173.160 176.094 0.005 0.000 1.031 1035 V CA -2.767 59.536 62.300 0.005 0.000 0.871 1035 V CB 2.119 33.945 31.823 0.005 0.000 0.988 1035 V HN 0.111 nan 8.190 nan 0.000 0.432 1036 P HA 0.229 nan 4.420 nan 0.000 0.275 1036 P C 0.649 177.953 177.300 0.007 0.000 1.227 1036 P CA 0.139 63.243 63.100 0.006 0.000 0.781 1036 P CB 1.757 33.460 31.700 0.005 0.000 0.906 1037 A N 3.527 126.352 122.820 0.007 0.000 1.997 1037 A HA -0.223 4.097 4.320 -0.000 0.000 0.221 1037 A C 2.065 179.655 177.584 0.009 0.000 1.172 1037 A CA 2.495 54.537 52.037 0.008 0.000 0.645 1037 A CB -1.643 17.362 19.000 0.008 0.000 0.813 1037 A HN 0.673 nan 8.150 nan 0.000 0.454 1038 S N -0.289 115.416 115.700 0.008 0.000 2.522 1038 S HA 0.443 4.912 4.470 -0.000 0.000 0.227 1038 S C 1.057 175.663 174.600 0.010 0.000 0.986 1038 S CA 0.268 58.474 58.200 0.009 0.000 0.929 1038 S CB -0.724 62.480 63.200 0.007 0.000 0.769 1038 S HN 0.960 nan 8.310 nan 0.000 0.529 1039 A N 1.376 124.202 122.820 0.010 0.000 2.520 1039 A HA 0.496 4.816 4.320 -0.000 0.000 0.235 1039 A C 0.328 177.920 177.584 0.013 0.000 1.065 1039 A CA 0.276 52.319 52.037 0.010 0.000 0.764 1039 A CB 0.006 19.011 19.000 0.009 0.000 1.002 1039 A HN 0.302 nan 8.150 nan 0.000 0.502 1040 T N 1.032 115.594 114.554 0.014 0.000 3.041 1040 T HA 0.664 5.014 4.350 -0.000 0.000 0.321 1040 T C -0.396 174.314 174.700 0.017 0.000 1.184 1040 T CA 0.018 62.129 62.100 0.018 0.000 1.050 1040 T CB 1.722 70.601 68.868 0.019 0.000 1.159 1040 T HN 1.052 nan 8.240 nan 0.000 0.469 1041 T N -0.230 114.336 114.554 0.019 0.000 2.804 1041 T HA 0.734 5.084 4.350 -0.000 0.000 0.290 1041 T C -0.778 173.935 174.700 0.021 0.000 1.099 1041 T CA -0.921 61.188 62.100 0.016 0.000 1.011 1041 T CB 1.685 70.561 68.868 0.012 0.000 1.291 1041 T HN 0.410 nan 8.240 nan 0.000 0.523 1042 T N 1.152 115.716 114.554 0.018 0.000 2.779 1042 T HA 0.761 5.111 4.350 -0.000 0.000 0.280 1042 T C -0.360 174.349 174.700 0.015 0.000 0.987 1042 T CA -0.584 61.528 62.100 0.020 0.000 0.966 1042 T CB 1.065 69.944 68.868 0.017 0.000 0.933 1042 T HN 1.007 nan 8.240 nan 0.000 0.442 1043 A N 2.484 125.312 122.820 0.014 0.000 2.423 1043 A HA 0.900 5.220 4.320 -0.000 0.000 0.304 1043 A C -0.382 177.206 177.584 0.006 0.000 1.104 1043 A CA -0.778 51.263 52.037 0.007 0.000 0.757 1043 A CB 1.689 20.689 19.000 -0.000 0.000 1.313 1043 A HN 0.653 nan 8.150 nan 0.000 0.423 1044 S N 0.513 116.216 115.700 0.003 0.000 2.536 1044 S HA 0.569 5.039 4.470 -0.000 0.000 0.287 1044 S C -1.068 173.532 174.600 0.000 0.000 1.101 1044 S CA -0.531 57.671 58.200 0.004 0.000 0.950 1044 S CB 1.187 64.390 63.200 0.006 0.000 1.056 1044 S HN 0.526 nan 8.310 nan 0.000 0.481 1045 L N 3.822 125.044 121.223 -0.000 0.000 2.261 1045 L HA 0.500 4.839 4.340 -0.000 0.000 0.289 1045 L C -0.086 176.785 176.870 0.003 0.000 1.059 1045 L CA -0.200 54.639 54.840 -0.002 0.000 0.816 1045 L CB 0.589 42.646 42.059 -0.003 0.000 1.191 1045 L HN 0.548 nan 8.230 nan 0.000 0.431 1046 V N 2.460 122.375 119.914 0.003 0.000 2.656 1046 V HA 0.670 4.790 4.120 -0.000 0.000 0.307 1046 V C 0.285 176.382 176.094 0.004 0.000 1.051 1046 V CA -0.523 61.779 62.300 0.004 0.000 0.893 1046 V CB 2.078 33.904 31.823 0.004 0.000 0.999 1046 V HN 0.849 nan 8.190 nan 0.000 0.426 1047 T N 3.089 117.646 114.554 0.005 0.000 2.919 1047 T HA 0.422 4.772 4.350 -0.000 0.000 0.302 1047 T C 0.655 175.357 174.700 0.004 0.000 1.031 1047 T CA -0.294 61.809 62.100 0.005 0.000 1.127 1047 T CB 1.107 69.978 68.868 0.005 0.000 0.952 1047 T HN 0.796 nan 8.240 nan 0.000 0.540 1048 R N 0.622 121.125 120.500 0.005 0.000 2.280 1048 R HA 0.208 4.548 4.340 -0.000 0.000 0.195 1048 R C 0.899 177.201 176.300 0.004 0.000 0.935 1048 R CA 0.315 56.418 56.100 0.004 0.000 1.033 1048 R CB 0.161 30.463 30.300 0.005 0.000 0.964 1048 R HN 0.930 nan 8.270 nan 0.000 0.489 1049 E N -1.564 118.638 120.200 0.004 0.000 2.456 1049 E HA 0.649 4.999 4.350 -0.000 0.000 0.276 1049 E C -1.346 175.255 176.600 0.002 0.000 0.981 1049 E CA -1.264 55.137 56.400 0.003 0.000 0.814 1049 E CB 1.148 30.850 29.700 0.003 0.000 1.382 1049 E HN -0.078 nan 8.360 nan 0.000 0.459 1050 A N -0.010 122.811 122.820 0.001 0.000 2.302 1050 A HA 0.827 5.147 4.320 -0.000 0.000 0.285 1050 A C 0.327 177.911 177.584 -0.000 0.000 1.105 1050 A CA 0.436 52.473 52.037 0.000 0.000 0.816 1050 A CB 0.743 19.743 19.000 -0.001 0.000 1.067 1050 A HN 0.949 nan 8.150 nan 0.000 0.489 1051 G N -1.184 107.616 108.800 -0.001 0.000 2.323 1051 G HA2 0.475 4.435 3.960 -0.000 0.000 0.291 1051 G HA3 0.475 4.435 3.960 -0.000 0.000 0.291 1051 G C -1.604 173.294 174.900 -0.003 0.000 1.278 1051 G CA -0.051 45.048 45.100 -0.002 0.000 0.860 1051 G HN 1.185 nan 8.290 nan 0.000 0.504 1052 V N 0.164 120.075 119.914 -0.006 0.000 2.483 1052 V HA 0.654 4.774 4.120 -0.000 0.000 0.295 1052 V C 0.354 176.441 176.094 -0.011 0.000 1.035 1052 V CA -0.752 61.542 62.300 -0.010 0.000 0.896 1052 V CB 1.363 33.176 31.823 -0.016 0.000 0.986 1052 V HN 0.984 nan 8.190 nan 0.000 0.447 1053 V N 4.769 124.680 119.914 -0.005 0.000 2.546 1053 V HA 0.902 5.022 4.120 -0.000 0.000 0.284 1053 V C 0.189 176.286 176.094 0.006 0.000 1.050 1053 V CA 0.284 62.587 62.300 0.004 0.000 0.981 1053 V CB 1.186 33.017 31.823 0.013 0.000 0.990 1053 V HN 1.212 nan 8.190 nan 0.000 0.474 1054 A N 4.272 127.106 122.820 0.023 0.000 2.574 1054 A HA 0.756 5.076 4.320 -0.000 0.000 0.297 1054 A C 0.473 178.128 177.584 0.119 0.000 1.062 1054 A CA -0.014 52.057 52.037 0.057 0.000 0.686 1054 A CB 1.501 20.489 19.000 -0.021 0.000 1.285 1054 A HN 2.382 nan 8.150 nan 0.000 0.403 1055 G N 0.008 108.939 108.800 0.218 0.000 2.132 1055 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.228 1055 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.228 1055 G C 0.550 175.486 174.900 0.059 0.000 1.000 1055 G CA 0.403 45.589 45.100 0.143 0.000 0.693 1055 G HN 1.118 nan 8.290 nan 0.000 0.515 1056 L N 0.966 122.226 121.223 0.060 0.000 2.131 1056 L HA 0.066 4.406 4.340 -0.000 0.000 0.210 1056 L C 2.336 179.212 176.870 0.010 0.000 1.092 1056 L CA 2.381 57.239 54.840 0.030 0.000 0.759 1056 L CB -0.527 41.553 42.059 0.036 0.000 0.903 1056 L HN 0.322 nan 8.230 nan 0.000 0.435 1057 D N -1.059 119.343 120.400 0.004 0.000 2.178 1057 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 1057 D C 2.301 178.578 176.300 -0.039 0.000 0.980 1057 D CA 0.955 54.944 54.000 -0.019 0.000 0.842 1057 D CB 0.040 40.812 40.800 -0.047 0.000 0.948 1057 D HN 0.190 nan 8.370 nan 0.000 0.472 1058 V N 1.402 121.288 119.914 -0.047 0.000 2.594 1058 V HA -0.208 3.912 4.120 -0.000 0.000 0.253 1058 V C 2.496 178.561 176.094 -0.049 0.000 1.069 1058 V CA 1.558 63.825 62.300 -0.055 0.000 1.082 1058 V CB -0.670 31.124 31.823 -0.048 0.000 0.680 1058 V HN 0.169 nan 8.190 nan 0.000 0.469 1059 A N -0.011 122.783 122.820 -0.042 0.000 1.872 1059 A HA -0.083 4.236 4.320 -0.000 0.000 0.214 1059 A C 2.085 179.607 177.584 -0.103 0.000 1.187 1059 A CA 1.313 53.312 52.037 -0.063 0.000 0.614 1059 A CB -0.468 18.503 19.000 -0.049 0.000 0.826 1059 A HN 0.369 nan 8.150 nan 0.000 0.442 1060 L N -0.039 121.141 121.223 -0.072 0.000 2.042 1060 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 1060 L C 2.494 179.328 176.870 -0.060 0.000 1.076 1060 L CA 1.502 56.300 54.840 -0.070 0.000 0.749 1060 L CB -1.556 40.536 42.059 0.055 0.000 0.893 1060 L HN 0.378 nan 8.230 nan 0.000 0.432 1061 L N -1.112 120.090 121.223 -0.035 0.000 2.191 1061 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 1061 L C 2.297 179.139 176.870 -0.047 0.000 1.103 1061 L CA 1.184 56.009 54.840 -0.026 0.000 0.769 1061 L CB -0.811 41.225 42.059 -0.037 0.000 0.908 1061 L HN 0.302 nan 8.230 nan 0.000 0.438 1062 T N -0.294 114.213 114.554 -0.078 0.000 2.857 1062 T HA -0.075 4.274 4.350 -0.000 0.000 0.266 1062 T C 1.868 176.504 174.700 -0.107 0.000 1.048 1062 T CA 0.696 62.748 62.100 -0.080 0.000 1.139 1062 T CB 0.005 68.825 68.868 -0.080 0.000 0.874 1062 T HN 0.019 nan 8.240 nan 0.000 0.455 1063 L N 2.008 123.109 121.223 -0.203 0.000 2.027 1063 L HA 0.042 4.382 4.340 -0.000 0.000 0.206 1063 L C 2.254 179.067 176.870 -0.095 0.000 1.074 1063 L CA 1.406 56.066 54.840 -0.300 0.000 0.745 1063 L CB -1.519 40.038 42.059 -0.838 0.000 0.898 1063 L HN 0.178 nan 8.230 nan 0.000 0.433 1064 N N 0.046 118.761 118.700 0.024 0.000 2.060 1064 N HA -0.255 4.485 4.740 -0.000 0.000 0.195 1064 N C 1.860 177.412 175.510 0.070 0.000 1.028 1064 N CA 1.393 54.539 53.050 0.159 0.000 0.861 1064 N CB -0.184 38.378 38.487 0.126 0.000 1.029 1064 N HN 0.315 nan 8.380 nan 0.000 0.428 1065 E N 0.263 120.475 120.200 0.021 0.000 2.153 1065 E HA -0.036 4.314 4.350 -0.000 0.000 0.194 1065 E C 1.652 178.257 176.600 0.008 0.000 0.988 1065 E CA 0.596 57.001 56.400 0.008 0.000 0.811 1065 E CB 0.090 29.784 29.700 -0.010 0.000 0.746 1065 E HN 0.145 nan 8.360 nan 0.000 0.466 1066 V N -0.490 119.425 119.914 0.001 0.000 2.672 1066 V HA 0.025 4.145 4.120 -0.000 0.000 0.242 1066 V C 1.889 177.997 176.094 0.023 0.000 1.059 1066 V CA 0.905 63.206 62.300 0.001 0.000 1.081 1066 V CB -0.017 31.794 31.823 -0.019 0.000 0.752 1066 V HN 0.224 nan 8.190 nan 0.000 0.472 1067 L N -0.223 121.030 121.223 0.049 0.000 2.638 1067 L HA 0.557 4.897 4.340 -0.000 0.000 0.232 1067 L C 1.055 177.997 176.870 0.120 0.000 1.099 1067 L CA 0.635 55.531 54.840 0.093 0.000 0.883 1067 L CB 0.043 42.191 42.059 0.149 0.000 1.136 1067 L HN 0.482 nan 8.230 nan 0.000 0.492 1068 G N 0.195 109.070 108.800 0.125 0.000 2.716 1068 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.686 1068 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.686 1068 G C 0.495 175.475 174.900 0.134 0.000 1.337 1068 G CA -0.193 44.968 45.100 0.102 0.000 0.829 1068 G HN 0.058 nan 8.290 nan 0.000 0.599 1069 T N 0.559 115.149 114.554 0.061 0.000 2.737 1069 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 1069 T C 1.701 176.269 174.700 -0.219 0.000 1.040 1069 T CA 1.773 63.845 62.100 -0.046 0.000 1.142 1069 T CB -0.164 68.676 68.868 -0.046 0.000 0.861 1069 T HN 0.621 nan 8.240 nan 0.000 0.456 1070 N N 0.891 119.522 118.700 -0.115 0.000 2.322 1070 N HA 0.168 4.908 4.740 -0.000 0.000 0.216 1070 N C 1.348 176.810 175.510 -0.080 0.000 1.144 1070 N CA 0.130 53.104 53.050 -0.126 0.000 0.830 1070 N CB 0.498 38.944 38.487 -0.068 0.000 1.034 1070 N HN 0.496 nan 8.380 nan 0.000 0.484 1071 G N -0.082 108.698 108.800 -0.033 0.000 3.126 1071 G HA2 0.096 4.056 3.960 -0.000 0.000 0.224 1071 G HA3 0.096 4.056 3.960 -0.000 0.000 0.224 1071 G C -0.013 174.990 174.900 0.172 0.000 1.142 1071 G CA 0.160 45.314 45.100 0.089 0.000 0.759 1071 G HN 0.357 nan 8.290 nan 0.000 0.550 1072 Y N -2.266 118.033 120.300 -0.002 0.000 2.689 1072 Y HA 0.791 5.341 4.550 -0.000 0.000 0.333 1072 Y C -1.042 174.858 175.900 -0.001 0.000 1.208 1072 Y CA -2.288 55.811 58.100 -0.001 0.000 1.055 1072 Y CB 1.097 39.556 38.460 -0.001 0.000 1.304 1072 Y HN -0.079 nan 8.280 nan 0.000 0.455 1073 R N 1.432 121.991 120.500 0.099 0.000 2.574 1073 R HA 0.732 5.071 4.340 -0.000 0.000 0.288 1073 R C -2.207 174.170 176.300 0.128 0.000 1.004 1073 R CA -0.903 55.209 56.100 0.020 0.000 0.895 1073 R CB 2.218 32.517 30.300 -0.002 0.000 1.191 1073 R HN 0.740 nan 8.270 nan 0.000 0.444 1074 V N 6.807 126.787 119.914 0.110 0.000 2.368 1074 V HA 0.111 4.231 4.120 -0.000 0.000 0.266 1074 V C 0.736 176.864 176.094 0.056 0.000 1.045 1074 V CA -0.319 62.048 62.300 0.111 0.000 0.899 1074 V CB 1.147 33.043 31.823 0.122 0.000 1.006 1074 V HN 0.766 nan 8.190 nan 0.000 0.470 1075 L N 2.734 123.987 121.223 0.049 0.000 2.179 1075 L HA 0.285 4.625 4.340 -0.000 0.000 0.208 1075 L C 0.725 177.611 176.870 0.027 0.000 1.096 1075 L CA 1.303 56.161 54.840 0.031 0.000 0.779 1075 L CB -0.468 41.607 42.059 0.028 0.000 0.922 1075 L HN 0.713 nan 8.230 nan 0.000 0.443 1076 D N -1.496 118.923 120.400 0.030 0.000 2.685 1076 D HA 0.463 5.103 4.640 -0.000 0.000 0.236 1076 D C -1.020 175.297 176.300 0.028 0.000 1.233 1076 D CA -0.534 53.481 54.000 0.025 0.000 0.760 1076 D CB 1.618 42.429 40.800 0.020 0.000 1.410 1076 D HN 0.093 nan 8.370 nan 0.000 0.439 1077 R N 0.093 120.608 120.500 0.025 0.000 2.716 1077 R HA 0.785 5.124 4.340 -0.000 0.000 0.271 1077 R C -1.783 174.530 176.300 0.022 0.000 1.028 1077 R CA -0.918 55.197 56.100 0.025 0.000 0.883 1077 R CB 0.924 31.242 30.300 0.031 0.000 1.250 1077 R HN 0.126 nan 8.270 nan 0.000 0.465 1078 V N 0.892 120.819 119.914 0.022 0.000 2.975 1078 V HA 0.365 4.485 4.120 -0.000 0.000 0.318 1078 V C -0.404 175.704 176.094 0.024 0.000 1.077 1078 V CA -0.752 61.560 62.300 0.020 0.000 1.000 1078 V CB 2.012 33.845 31.823 0.017 0.000 1.066 1078 V HN 0.720 nan 8.190 nan 0.000 0.452 1079 E N 1.623 121.837 120.200 0.023 0.000 2.313 1079 E HA 0.278 4.628 4.350 -0.000 0.000 0.272 1079 E C -0.876 175.743 176.600 0.031 0.000 1.038 1079 E CA -0.576 55.841 56.400 0.029 0.000 0.863 1079 E CB 0.839 30.554 29.700 0.026 0.000 1.060 1079 E HN 0.542 nan 8.360 nan 0.000 0.402 1080 D N 0.077 120.506 120.400 0.047 0.000 2.455 1080 D HA 0.263 4.903 4.640 -0.000 0.000 0.241 1080 D C 1.157 177.468 176.300 0.018 0.000 1.138 1080 D CA 1.519 55.550 54.000 0.050 0.000 0.877 1080 D CB 0.626 41.492 40.800 0.110 0.000 1.187 1080 D HN 0.632 nan 8.370 nan 0.000 0.451 1081 G N 1.110 109.907 108.800 -0.006 0.000 2.176 1081 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.232 1081 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.232 1081 G C 0.415 175.309 174.900 -0.010 0.000 0.986 1081 G CA 0.162 45.249 45.100 -0.022 0.000 0.643 1081 G HN 0.824 nan 8.290 nan 0.000 0.522 1082 A N 0.807 123.627 122.820 -0.000 0.000 2.401 1082 A HA 0.688 5.008 4.320 -0.000 0.000 0.259 1082 A C 0.776 178.360 177.584 -0.000 0.000 1.103 1082 A CA -0.145 51.894 52.037 0.002 0.000 0.789 1082 A CB 0.367 19.372 19.000 0.007 0.000 1.035 1082 A HN 0.339 nan 8.150 nan 0.000 0.491 1083 R N 1.506 122.006 120.500 -0.000 0.000 2.340 1083 R HA 0.446 4.786 4.340 -0.000 0.000 0.300 1083 R C -1.083 175.218 176.300 0.001 0.000 1.069 1083 R CA -0.036 56.063 56.100 -0.000 0.000 0.984 1083 R CB 1.132 31.432 30.300 -0.000 0.000 1.003 1083 R HN 0.485 nan 8.270 nan 0.000 0.459 1084 V N 6.189 126.104 119.914 0.001 0.000 2.789 1084 V HA 0.447 4.567 4.120 -0.000 0.000 0.311 1084 V C -2.093 174.002 176.094 0.002 0.000 1.073 1084 V CA -1.857 60.445 62.300 0.002 0.000 0.921 1084 V CB 2.762 34.587 31.823 0.004 0.000 1.009 1084 V HN 0.717 nan 8.190 nan 0.000 0.426 1085 P HA 0.440 nan 4.420 nan 0.000 0.283 1085 P C -2.547 174.754 177.300 0.002 0.000 1.278 1085 P CA -1.808 61.293 63.100 0.002 0.000 0.834 1085 P CB 1.288 32.989 31.700 0.002 0.000 1.150 1086 P HA -0.182 nan 4.420 nan 0.000 0.209 1086 P C 1.265 178.567 177.300 0.003 0.000 1.167 1086 P CA 2.186 65.287 63.100 0.002 0.000 0.941 1086 P CB -0.647 31.054 31.700 0.002 0.000 0.787 1087 G N -0.766 108.035 108.800 0.003 0.000 3.414 1087 G HA2 0.025 3.985 3.960 -0.000 0.000 0.258 1087 G HA3 0.025 3.985 3.960 -0.000 0.000 0.258 1087 G C -0.017 174.885 174.900 0.004 0.000 1.348 1087 G CA -0.073 45.029 45.100 0.003 0.000 1.319 1087 G HN 0.189 nan 8.290 nan 0.000 0.555 1088 E N 0.855 121.058 120.200 0.004 0.000 2.360 1088 E HA 0.490 4.840 4.350 -0.000 0.000 0.269 1088 E C 0.297 176.901 176.600 0.006 0.000 1.022 1088 E CA -0.295 56.108 56.400 0.005 0.000 0.887 1088 E CB 0.924 30.627 29.700 0.005 0.000 0.990 1088 E HN 0.151 nan 8.360 nan 0.000 0.426 1089 A N 5.897 128.721 122.820 0.007 0.000 2.316 1089 A HA 0.242 4.562 4.320 -0.000 0.000 0.311 1089 A C 0.789 178.379 177.584 0.010 0.000 1.339 1089 A CA -0.366 51.676 52.037 0.008 0.000 0.960 1089 A CB -0.101 18.904 19.000 0.009 0.000 1.152 1089 A HN 0.862 nan 8.150 nan 0.000 0.547 1090 L N 1.708 122.936 121.223 0.010 0.000 2.093 1090 L HA 0.098 4.438 4.340 -0.000 0.000 0.208 1090 L C 1.054 177.933 176.870 0.014 0.000 1.085 1090 L CA 0.981 55.828 54.840 0.012 0.000 0.755 1090 L CB -0.197 41.868 42.059 0.011 0.000 0.904 1090 L HN 0.780 nan 8.230 nan 0.000 0.435 1091 M N -1.080 118.527 119.600 0.013 0.000 2.373 1091 M HA 0.292 4.772 4.480 -0.000 0.000 0.290 1091 M C -1.685 174.625 176.300 0.016 0.000 1.143 1091 M CA -0.191 55.119 55.300 0.017 0.000 0.949 1091 M CB 2.411 35.020 32.600 0.015 0.000 1.756 1091 M HN -0.298 nan 8.290 nan 0.000 0.494 1092 T N 5.662 120.230 114.554 0.023 0.000 2.812 1092 T HA 0.751 5.101 4.350 -0.000 0.000 0.282 1092 T C -1.015 173.707 174.700 0.037 0.000 0.990 1092 T CA -0.592 61.522 62.100 0.023 0.000 0.960 1092 T CB 1.000 69.880 68.868 0.021 0.000 0.948 1092 T HN 0.555 nan 8.240 nan 0.000 0.438 1093 L N 0.468 121.715 121.223 0.040 0.000 2.322 1093 L HA 0.864 5.204 4.340 -0.000 0.000 0.252 1093 L C -0.545 176.362 176.870 0.061 0.000 1.055 1093 L CA -1.143 53.737 54.840 0.068 0.000 0.849 1093 L CB 1.559 43.675 42.059 0.095 0.000 1.446 1093 L HN 0.494 nan 8.230 nan 0.000 0.416 1094 E N 0.075 120.326 120.200 0.085 0.000 2.191 1094 E HA 0.823 5.173 4.350 -0.000 0.000 0.263 1094 E C -1.461 175.201 176.600 0.102 0.000 0.881 1094 E CA -0.618 55.824 56.400 0.069 0.000 0.757 1094 E CB 1.744 31.475 29.700 0.051 0.000 1.147 1094 E HN 1.037 nan 8.360 nan 0.000 0.414 1095 A N 3.795 126.663 122.820 0.080 0.000 2.599 1095 A HA 0.301 4.621 4.320 -0.000 0.000 0.290 1095 A C -1.232 176.386 177.584 0.056 0.000 1.101 1095 A CA -0.766 51.330 52.037 0.097 0.000 0.674 1095 A CB 1.563 20.630 19.000 0.112 0.000 1.277 1095 A HN 0.619 nan 8.150 nan 0.000 0.419 1096 Q N 0.227 120.060 119.800 0.055 0.000 2.300 1096 Q HA 0.157 4.497 4.340 -0.000 0.000 0.280 1096 Q C 0.443 176.457 176.000 0.023 0.000 1.033 1096 Q CA 0.799 56.622 55.803 0.034 0.000 0.903 1096 Q CB 0.594 29.352 28.738 0.034 0.000 1.195 1096 Q HN 0.779 nan 8.270 nan 0.000 0.386 1097 T N 4.430 118.994 114.554 0.017 0.000 2.720 1097 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 1097 T C 1.545 176.248 174.700 0.006 0.000 1.037 1097 T CA 1.542 63.648 62.100 0.010 0.000 1.144 1097 T CB -0.027 68.846 68.868 0.009 0.000 0.864 1097 T HN 0.598 nan 8.240 nan 0.000 0.444 1098 R N 0.434 120.939 120.500 0.008 0.000 2.091 1098 R HA -0.045 4.295 4.340 -0.000 0.000 0.238 1098 R C 2.918 179.220 176.300 0.002 0.000 1.136 1098 R CA 1.370 57.473 56.100 0.005 0.000 0.959 1098 R CB -0.738 29.566 30.300 0.007 0.000 0.856 1098 R HN 0.467 nan 8.270 nan 0.000 0.437 1099 G N 0.924 109.727 108.800 0.004 0.000 2.418 1099 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 1099 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 1099 G C 1.436 176.325 174.900 -0.017 0.000 1.158 1099 G CA 0.397 45.496 45.100 -0.002 0.000 0.771 1099 G HN 0.126 nan 8.290 nan 0.000 0.545 1100 L N -0.412 120.800 121.223 -0.018 0.000 2.012 1100 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 1100 L C 2.760 179.616 176.870 -0.023 0.000 1.073 1100 L CA 0.529 55.351 54.840 -0.030 0.000 0.748 1100 L CB -0.355 41.691 42.059 -0.020 0.000 0.891 1100 L HN 0.150 nan 8.230 nan 0.000 0.431 1101 L N -0.834 120.382 121.223 -0.013 0.000 2.275 1101 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 1101 L C 2.433 179.298 176.870 -0.009 0.000 1.119 1101 L CA 1.734 56.568 54.840 -0.009 0.000 0.790 1101 L CB -1.075 40.982 42.059 -0.004 0.000 0.919 1101 L HN 0.200 nan 8.230 nan 0.000 0.443 1102 T N -1.329 113.219 114.554 -0.009 0.000 2.976 1102 T HA 0.061 4.411 4.350 -0.000 0.000 0.257 1102 T C 1.904 176.596 174.700 -0.014 0.000 1.051 1102 T CA 0.880 62.976 62.100 -0.007 0.000 1.141 1102 T CB 0.046 68.912 68.868 -0.003 0.000 0.881 1102 T HN 0.340 nan 8.240 nan 0.000 0.461 1103 A N 1.407 124.212 122.820 -0.025 0.000 1.968 1103 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 1103 A C 2.046 179.609 177.584 -0.035 0.000 1.169 1103 A CA 1.557 53.571 52.037 -0.037 0.000 0.638 1103 A CB -0.540 18.423 19.000 -0.061 0.000 0.812 1103 A HN 0.578 nan 8.150 nan 0.000 0.446 1104 E N -0.239 119.943 120.200 -0.030 0.000 2.110 1104 E HA -0.382 3.967 4.350 -0.000 0.000 0.225 1104 E C 2.231 178.820 176.600 -0.019 0.000 1.063 1104 E CA 2.144 58.529 56.400 -0.025 0.000 0.906 1104 E CB -0.175 29.514 29.700 -0.017 0.000 0.795 1104 E HN 0.386 nan 8.360 nan 0.000 0.479 1105 R N 0.107 120.599 120.500 -0.012 0.000 2.091 1105 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 1105 R C 2.331 178.625 176.300 -0.010 0.000 1.136 1105 R CA 2.396 58.491 56.100 -0.008 0.000 0.959 1105 R CB -1.153 29.144 30.300 -0.004 0.000 0.856 1105 R HN 0.272 nan 8.270 nan 0.000 0.437 1106 T N 0.903 115.448 114.554 -0.015 0.000 2.708 1106 T HA -0.176 4.173 4.350 -0.000 0.000 0.266 1106 T C 1.749 176.435 174.700 -0.022 0.000 1.037 1106 T CA 1.729 63.817 62.100 -0.019 0.000 1.146 1106 T CB -0.251 68.603 68.868 -0.023 0.000 0.865 1106 T HN 0.361 nan 8.240 nan 0.000 0.435 1107 M N 0.385 119.968 119.600 -0.028 0.000 2.067 1107 M HA -0.073 4.407 4.480 -0.000 0.000 0.260 1107 M C 1.856 178.146 176.300 -0.016 0.000 1.069 1107 M CA 1.580 56.861 55.300 -0.031 0.000 1.117 1107 M CB -0.223 32.349 32.600 -0.048 0.000 1.334 1107 M HN 0.115 nan 8.290 nan 0.000 0.407 1108 L N 1.460 122.676 121.223 -0.011 0.000 2.083 1108 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 1108 L C 2.136 179.015 176.870 0.014 0.000 1.083 1108 L CA 1.673 56.514 54.840 0.001 0.000 0.752 1108 L CB -1.629 40.430 42.059 -0.000 0.000 0.899 1108 L HN 0.397 nan 8.230 nan 0.000 0.433 1109 N N -0.915 117.791 118.700 0.009 0.000 2.120 1109 N HA -0.154 4.585 4.740 -0.000 0.000 0.188 1109 N C 1.767 177.298 175.510 0.035 0.000 1.024 1109 N CA 0.880 53.941 53.050 0.018 0.000 0.852 1109 N CB -0.304 38.181 38.487 -0.003 0.000 1.003 1109 N HN 0.127 nan 8.380 nan 0.000 0.424 1110 L N 0.738 121.973 121.223 0.020 0.000 2.023 1110 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 1110 L C 2.355 179.269 176.870 0.073 0.000 1.073 1110 L CA 1.177 56.038 54.840 0.034 0.000 0.745 1110 L CB -1.334 40.725 42.059 0.001 0.000 0.900 1110 L HN 0.115 nan 8.230 nan 0.000 0.435 1111 V N -1.950 117.992 119.914 0.046 0.000 2.667 1111 V HA 0.011 4.130 4.120 -0.000 0.000 0.252 1111 V C 2.226 178.351 176.094 0.052 0.000 1.065 1111 V CA 1.542 63.871 62.300 0.048 0.000 1.083 1111 V CB -1.001 30.839 31.823 0.028 0.000 0.692 1111 V HN 0.354 nan 8.190 nan 0.000 0.468 1112 G N -0.578 108.257 108.800 0.057 0.000 2.402 1112 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 1112 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 1112 G C 1.423 176.364 174.900 0.068 0.000 1.162 1112 G CA 1.071 46.202 45.100 0.052 0.000 0.777 1112 G HN 0.720 nan 8.290 nan 0.000 0.539 1113 H N 0.440 119.514 119.070 0.007 0.000 2.326 1113 H HA 0.128 4.684 4.556 -0.000 0.000 0.301 1113 H C 2.515 177.849 175.328 0.009 0.000 1.081 1113 H CA 1.309 57.361 56.048 0.008 0.000 1.334 1113 H CB -0.217 29.548 29.762 0.005 0.000 1.385 1113 H HN 0.224 nan 8.280 nan 0.000 0.504 1114 L N -0.608 120.665 121.223 0.084 0.000 2.141 1114 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 1114 L C 2.459 179.313 176.870 -0.027 0.000 1.094 1114 L CA 1.200 56.057 54.840 0.028 0.000 0.763 1114 L CB -0.374 41.751 42.059 0.110 0.000 0.908 1114 L HN 0.279 nan 8.230 nan 0.000 0.437 1115 S N 0.082 115.776 115.700 -0.011 0.000 2.387 1115 S HA -0.059 4.411 4.470 -0.000 0.000 0.226 1115 S C 2.072 176.645 174.600 -0.045 0.000 1.026 1115 S CA 1.008 59.197 58.200 -0.019 0.000 0.972 1115 S CB -0.356 62.845 63.200 0.001 0.000 0.814 1115 S HN 0.580 nan 8.310 nan 0.000 0.477 1116 G N 2.153 110.913 108.800 -0.067 0.000 2.476 1116 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.218 1116 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.218 1116 G C 1.328 176.167 174.900 -0.101 0.000 1.164 1116 G CA 0.875 45.927 45.100 -0.081 0.000 0.768 1116 G HN 0.473 nan 8.290 nan 0.000 0.560 1117 I N 1.392 121.863 120.570 -0.164 0.000 2.127 1117 I HA -0.225 3.945 4.170 -0.000 0.000 0.241 1117 I C 3.331 179.394 176.117 -0.091 0.000 1.075 1117 I CA 1.181 62.392 61.300 -0.148 0.000 1.334 1117 I CB -0.346 37.544 38.000 -0.182 0.000 1.040 1117 I HN 0.260 nan 8.210 nan 0.000 0.405 1118 A N 0.153 122.922 122.820 -0.085 0.000 1.972 1118 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 1118 A C 2.359 179.922 177.584 -0.034 0.000 1.169 1118 A CA 2.389 54.383 52.037 -0.073 0.000 0.635 1118 A CB -1.025 17.924 19.000 -0.085 0.000 0.810 1118 A HN 0.413 nan 8.150 nan 0.000 0.446 1119 T N 0.147 114.686 114.554 -0.025 0.000 2.708 1119 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 1119 T C 2.256 176.973 174.700 0.029 0.000 1.037 1119 T CA 1.643 63.742 62.100 -0.002 0.000 1.146 1119 T CB -0.426 68.439 68.868 -0.006 0.000 0.865 1119 T HN 0.595 nan 8.240 nan 0.000 0.435 1120 A N 1.294 124.139 122.820 0.041 0.000 1.930 1120 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 1120 A C 2.580 180.298 177.584 0.223 0.000 1.175 1120 A CA 2.206 54.318 52.037 0.126 0.000 0.627 1120 A CB -1.221 17.850 19.000 0.118 0.000 0.815 1120 A HN 0.572 nan 8.150 nan 0.000 0.443 1121 T N -1.747 112.866 114.554 0.098 0.000 2.962 1121 T HA 0.117 4.467 4.350 -0.000 0.000 0.270 1121 T C 1.769 176.544 174.700 0.124 0.000 1.088 1121 T CA 1.661 63.811 62.100 0.084 0.000 1.127 1121 T CB -0.369 68.474 68.868 -0.042 0.000 0.883 1121 T HN 0.493 nan 8.240 nan 0.000 0.493 1122 A N 0.934 123.803 122.820 0.083 0.000 1.968 1122 A HA 0.496 4.816 4.320 -0.000 0.000 0.217 1122 A C 2.780 180.412 177.584 0.080 0.000 1.169 1122 A CA 1.442 53.516 52.037 0.061 0.000 0.638 1122 A CB -1.206 17.810 19.000 0.025 0.000 0.812 1122 A HN 0.734 nan 8.150 nan 0.000 0.446 1123 A N -0.963 121.914 122.820 0.096 0.000 1.873 1123 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 1123 A C 1.939 179.541 177.584 0.031 0.000 1.186 1123 A CA 1.383 53.439 52.037 0.032 0.000 0.616 1123 A CB -0.925 18.067 19.000 -0.012 0.000 0.823 1123 A HN 0.698 nan 8.150 nan 0.000 0.442 1124 W N -0.158 121.132 121.300 -0.016 0.000 2.338 1124 W HA -0.133 4.527 4.660 0.000 0.000 0.304 1124 W C 2.347 178.864 176.519 -0.004 0.000 1.212 1124 W CA 1.557 58.896 57.345 -0.009 0.000 1.264 1124 W CB -0.757 28.692 29.460 -0.017 0.000 1.142 1124 W HN 0.128 nan 8.180 nan 0.000 0.512 1125 V N 0.462 120.518 119.914 0.237 0.000 2.332 1125 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 1125 V C 1.778 177.921 176.094 0.082 0.000 1.055 1125 V CA 2.277 64.656 62.300 0.131 0.000 1.038 1125 V CB -0.848 31.025 31.823 0.083 0.000 0.651 1125 V HN 0.065 nan 8.190 nan 0.000 0.450 1126 D N 0.171 120.605 120.400 0.056 0.000 2.178 1126 D HA -0.079 4.561 4.640 -0.000 0.000 0.202 1126 D C 2.205 178.512 176.300 0.012 0.000 0.974 1126 D CA 1.457 55.471 54.000 0.023 0.000 0.841 1126 D CB -0.328 40.474 40.800 0.005 0.000 0.953 1126 D HN 0.440 nan 8.370 nan 0.000 0.478 1127 A N 0.568 123.391 122.820 0.005 0.000 1.902 1127 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 1127 A C 2.089 179.686 177.584 0.021 0.000 1.181 1127 A CA 1.747 53.773 52.037 -0.019 0.000 0.623 1127 A CB -0.515 18.431 19.000 -0.090 0.000 0.818 1127 A HN 0.250 nan 8.150 nan 0.000 0.443 1128 V N -2.352 117.599 119.914 0.061 0.000 3.421 1128 V HA 0.308 4.428 4.120 -0.000 0.000 0.316 1128 V C 0.635 176.756 176.094 0.045 0.000 1.347 1128 V CA -0.111 62.229 62.300 0.067 0.000 1.183 1128 V CB -1.264 30.621 31.823 0.104 0.000 1.092 1128 V HN 0.439 nan 8.190 nan 0.000 0.433 1129 R N 1.098 121.617 120.500 0.032 0.000 2.590 1129 R HA 0.467 4.807 4.340 -0.000 0.000 0.274 1129 R C 1.330 177.639 176.300 0.015 0.000 1.061 1129 R CA 1.198 57.311 56.100 0.022 0.000 1.081 1129 R CB 0.331 30.641 30.300 0.016 0.000 0.984 1129 R HN 0.852 nan 8.270 nan 0.000 0.448 1130 G N 1.833 110.640 108.800 0.011 0.000 2.143 1130 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.249 1130 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.249 1130 G C 0.022 174.926 174.900 0.006 0.000 0.981 1130 G CA 0.348 45.452 45.100 0.007 0.000 0.665 1130 G HN 0.683 nan 8.290 nan 0.000 0.528 1131 T N -0.948 113.611 114.554 0.008 0.000 2.916 1131 T HA 0.571 4.921 4.350 -0.000 0.000 0.292 1131 T C 1.362 176.058 174.700 -0.006 0.000 1.064 1131 T CA -0.010 62.093 62.100 0.005 0.000 1.011 1131 T CB 1.407 70.287 68.868 0.020 0.000 1.152 1131 T HN 0.356 nan 8.240 nan 0.000 0.510 1132 K N 0.668 121.055 120.400 -0.023 0.000 2.400 1132 K HA 0.450 4.770 4.320 -0.000 0.000 0.194 1132 K C 0.826 177.385 176.600 -0.070 0.000 1.033 1132 K CA -0.113 56.146 56.287 -0.045 0.000 1.021 1132 K CB 0.196 32.658 32.500 -0.062 0.000 0.808 1132 K HN 0.459 nan 8.250 nan 0.000 0.505 1133 A N 1.995 124.784 122.820 -0.051 0.000 2.531 1133 A HA 0.146 4.466 4.320 -0.000 0.000 0.236 1133 A C -0.685 176.896 177.584 -0.005 0.000 1.062 1133 A CA 0.112 52.117 52.037 -0.054 0.000 0.760 1133 A CB 0.133 19.138 19.000 0.009 0.000 0.995 1133 A HN 0.361 nan 8.150 nan 0.000 0.501 1134 K N 1.100 121.514 120.400 0.024 0.000 2.267 1134 K HA 0.585 4.905 4.320 -0.000 0.000 0.246 1134 K C -0.750 175.954 176.600 0.173 0.000 0.954 1134 K CA -0.499 55.867 56.287 0.132 0.000 0.824 1134 K CB 1.730 34.364 32.500 0.223 0.000 1.167 1134 K HN 0.517 nan 8.250 nan 0.000 0.431 1135 I N 3.096 123.725 120.570 0.098 0.000 2.315 1135 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 1135 I C 0.156 176.253 176.117 -0.033 0.000 1.006 1135 I CA -0.340 60.972 61.300 0.021 0.000 1.265 1135 I CB 0.757 38.763 38.000 0.009 0.000 1.387 1135 I HN 0.468 nan 8.210 nan 0.000 0.475 1136 R N 3.723 124.175 120.500 -0.080 0.000 2.892 1136 R HA 0.456 4.796 4.340 -0.000 0.000 0.265 1136 R C -0.779 175.450 176.300 -0.117 0.000 1.025 1136 R CA -0.851 55.182 56.100 -0.111 0.000 0.982 1136 R CB 2.082 32.266 30.300 -0.195 0.000 1.185 1136 R HN 0.581 nan 8.270 nan 0.000 0.484 1137 D N -0.505 119.850 120.400 -0.074 0.000 2.539 1137 D HA 0.352 4.992 4.640 -0.000 0.000 0.276 1137 D C 0.202 176.474 176.300 -0.046 0.000 1.206 1137 D CA -0.386 53.562 54.000 -0.087 0.000 1.081 1137 D CB 0.512 41.265 40.800 -0.079 0.000 1.142 1137 D HN 0.536 nan 8.370 nan 0.000 0.595 1138 T N -4.513 109.988 114.554 -0.088 0.000 2.693 1138 T HA 0.495 4.845 4.350 -0.000 0.000 0.278 1138 T C 0.367 175.015 174.700 -0.087 0.000 0.994 1138 T CA -1.055 60.970 62.100 -0.125 0.000 1.033 1138 T CB 1.174 69.975 68.868 -0.112 0.000 1.342 1138 T HN 0.305 nan 8.240 nan 0.000 0.538 1139 R N 0.214 120.660 120.500 -0.091 0.000 2.480 1139 R HA 0.204 4.544 4.340 -0.000 0.000 0.277 1139 R C 0.101 176.395 176.300 -0.009 0.000 1.008 1139 R CA -0.135 55.939 56.100 -0.043 0.000 1.090 1139 R CB 0.048 30.319 30.300 -0.049 0.000 1.234 1139 R HN 0.419 nan 8.270 nan 0.000 0.549 1140 K N 1.927 122.330 120.400 0.004 0.000 2.502 1140 K HA 0.053 4.373 4.320 -0.000 0.000 0.244 1140 K C 0.065 176.703 176.600 0.065 0.000 1.249 1140 K CA 0.066 56.389 56.287 0.060 0.000 1.193 1140 K CB 0.386 32.980 32.500 0.157 0.000 1.674 1140 K HN 0.097 nan 8.250 nan 0.000 0.302 1141 T N -2.171 112.412 114.554 0.049 0.000 2.949 1141 T HA 0.430 4.780 4.350 -0.000 0.000 0.287 1141 T C -0.116 174.618 174.700 0.057 0.000 1.034 1141 T CA -1.122 61.012 62.100 0.056 0.000 1.018 1141 T CB 1.267 70.163 68.868 0.048 0.000 1.135 1141 T HN -0.053 nan 8.240 nan 0.000 0.532 1142 L N 2.720 123.978 121.223 0.058 0.000 2.312 1142 L HA 0.445 4.785 4.340 -0.000 0.000 0.281 1142 L C -2.015 174.868 176.870 0.022 0.000 1.070 1142 L CA -2.531 52.329 54.840 0.033 0.000 0.805 1142 L CB 0.605 42.670 42.059 0.010 0.000 1.174 1142 L HN 0.597 nan 8.230 nan 0.000 0.434 1143 P HA 0.076 nan 4.420 nan 0.000 0.258 1143 P C 0.762 178.070 177.300 0.013 0.000 1.187 1143 P CA 0.761 63.873 63.100 0.021 0.000 0.767 1143 P CB 0.552 32.261 31.700 0.015 0.000 0.770 1144 G N 2.908 111.725 108.800 0.028 0.000 2.213 1144 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.236 1144 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.236 1144 G C 0.479 175.369 174.900 -0.017 0.000 0.991 1144 G CA 0.065 45.174 45.100 0.015 0.000 0.629 1144 G HN 0.495 nan 8.290 nan 0.000 0.517 1145 L N 0.047 121.263 121.223 -0.011 0.000 2.858 1145 L HA 0.372 4.712 4.340 -0.000 0.000 0.251 1145 L C 2.304 179.174 176.870 0.001 0.000 1.149 1145 L CA 0.357 55.181 54.840 -0.026 0.000 0.955 1145 L CB 0.145 42.185 42.059 -0.033 0.000 1.289 1145 L HN 0.244 nan 8.230 nan 0.000 0.542 1146 R N 1.670 122.191 120.500 0.034 0.000 2.113 1146 R HA -0.238 4.102 4.340 -0.000 0.000 0.244 1146 R C 2.260 178.590 176.300 0.050 0.000 1.142 1146 R CA 2.082 58.221 56.100 0.065 0.000 0.953 1146 R CB -0.186 30.181 30.300 0.112 0.000 0.860 1146 R HN 0.332 nan 8.270 nan 0.000 0.438 1147 A N 0.842 123.652 122.820 -0.017 0.000 1.940 1147 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 1147 A C 2.241 179.766 177.584 -0.098 0.000 1.176 1147 A CA 1.412 53.369 52.037 -0.134 0.000 0.631 1147 A CB -0.493 18.056 19.000 -0.750 0.000 0.814 1147 A HN 0.388 nan 8.150 nan 0.000 0.446 1148 L N -1.097 120.067 121.223 -0.099 0.000 2.044 1148 L HA -0.223 4.117 4.340 -0.000 0.000 0.205 1148 L C 2.936 179.875 176.870 0.114 0.000 1.075 1148 L CA 1.519 56.361 54.840 0.003 0.000 0.747 1148 L CB -0.707 41.336 42.059 -0.027 0.000 0.903 1148 L HN 0.480 nan 8.230 nan 0.000 0.435 1149 Q N -0.060 119.790 119.800 0.083 0.000 2.096 1149 Q HA -0.262 4.077 4.340 -0.000 0.000 0.204 1149 Q C 2.214 178.237 176.000 0.039 0.000 0.982 1149 Q CA 1.532 57.379 55.803 0.073 0.000 0.850 1149 Q CB -0.075 28.711 28.738 0.080 0.000 0.901 1149 Q HN 0.205 nan 8.270 nan 0.000 0.422 1150 K N 0.141 120.574 120.400 0.055 0.000 2.097 1150 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 1150 K C 1.736 178.368 176.600 0.053 0.000 1.049 1150 K CA 1.083 57.399 56.287 0.047 0.000 0.933 1150 K CB -0.432 32.117 32.500 0.081 0.000 0.717 1150 K HN 0.264 nan 8.250 nan 0.000 0.442 1151 Y N 0.352 120.638 120.300 -0.025 0.000 2.181 1151 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 1151 Y C 1.873 177.759 175.900 -0.024 0.000 1.146 1151 Y CA 1.573 59.657 58.100 -0.027 0.000 1.164 1151 Y CB -0.578 37.852 38.460 -0.049 0.000 0.982 1151 Y HN 0.043 nan 8.280 nan 0.000 0.515 1152 A N 0.106 122.823 122.820 -0.170 0.000 1.933 1152 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 1152 A C 2.395 179.849 177.584 -0.216 0.000 1.175 1152 A CA 2.189 54.083 52.037 -0.239 0.000 0.628 1152 A CB -1.634 17.327 19.000 -0.065 0.000 0.814 1152 A HN 0.652 nan 8.150 nan 0.000 0.444 1153 V N -1.404 118.422 119.914 -0.146 0.000 2.515 1153 V HA -0.148 3.972 4.120 -0.000 0.000 0.250 1153 V C 2.178 178.194 176.094 -0.131 0.000 1.058 1153 V CA 2.274 64.499 62.300 -0.125 0.000 1.064 1153 V CB -0.800 30.959 31.823 -0.106 0.000 0.675 1153 V HN 0.537 nan 8.190 nan 0.000 0.461 1154 R N -0.100 120.306 120.500 -0.157 0.000 2.115 1154 R HA -0.086 4.254 4.340 -0.000 0.000 0.230 1154 R C 2.351 178.541 176.300 -0.184 0.000 1.111 1154 R CA 1.872 57.888 56.100 -0.140 0.000 0.976 1154 R CB -0.480 29.749 30.300 -0.118 0.000 0.870 1154 R HN 0.645 nan 8.270 nan 0.000 0.445 1155 T N -0.972 113.395 114.554 -0.311 0.000 2.867 1155 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 1155 T C 1.498 176.107 174.700 -0.151 0.000 1.057 1155 T CA 1.284 63.213 62.100 -0.286 0.000 1.136 1155 T CB -0.054 68.545 68.868 -0.448 0.000 0.874 1155 T HN 0.451 nan 8.240 nan 0.000 0.466 1156 G N -0.219 108.505 108.800 -0.126 0.000 2.920 1156 G HA2 0.386 4.346 3.960 -0.000 0.000 0.208 1156 G HA3 0.386 4.346 3.960 -0.000 0.000 0.208 1156 G C 1.114 175.993 174.900 -0.037 0.000 1.159 1156 G CA 0.432 45.493 45.100 -0.066 0.000 0.784 1156 G HN 0.714 nan 8.290 nan 0.000 0.535 1157 G N -1.562 107.210 108.800 -0.047 0.000 2.211 1157 G HA2 0.000 3.960 3.960 -0.000 0.000 0.201 1157 G HA3 0.000 3.960 3.960 -0.000 0.000 0.201 1157 G C 0.770 175.662 174.900 -0.012 0.000 0.997 1157 G CA 0.124 45.212 45.100 -0.020 0.000 0.652 1157 G HN 0.935 nan 8.290 nan 0.000 0.500 1158 G N -0.704 108.078 108.800 -0.030 0.000 2.621 1158 G HA2 0.692 4.652 3.960 -0.000 0.000 0.271 1158 G HA3 0.692 4.652 3.960 -0.000 0.000 0.271 1158 G C 0.122 175.004 174.900 -0.031 0.000 1.236 1158 G CA 0.362 45.444 45.100 -0.030 0.000 0.958 1158 G HN 1.626 nan 8.290 nan 0.000 0.512 1159 V N -1.281 118.614 119.914 -0.032 0.000 2.588 1159 V HA 0.527 4.647 4.120 -0.000 0.000 0.304 1159 V C -0.626 175.426 176.094 -0.071 0.000 1.042 1159 V CA -1.542 60.736 62.300 -0.038 0.000 0.877 1159 V CB 1.598 33.414 31.823 -0.011 0.000 0.996 1159 V HN 0.560 nan 8.190 nan 0.000 0.425 1160 N N 2.959 121.629 118.700 -0.050 0.000 2.492 1160 N HA 0.238 4.978 4.740 -0.000 0.000 0.260 1160 N C -0.133 175.344 175.510 -0.055 0.000 1.215 1160 N CA 0.289 53.321 53.050 -0.030 0.000 0.923 1160 N CB 0.498 38.991 38.487 0.010 0.000 1.092 1160 N HN 1.036 nan 8.380 nan 0.000 0.448 1161 H N 0.330 119.333 119.070 -0.111 0.000 2.965 1161 H HA 0.288 4.844 4.556 -0.000 0.000 0.220 1161 H C 0.489 175.769 175.328 -0.080 0.000 1.548 1161 H CA -0.820 55.147 56.048 -0.136 0.000 1.658 1161 H CB 0.791 30.469 29.762 -0.141 0.000 1.509 1161 H HN 0.508 nan 8.280 nan 0.000 0.930 1162 R N 0.560 121.240 120.500 0.300 0.000 2.738 1162 R HA 0.058 4.398 4.340 -0.000 0.000 0.268 1162 R C 0.050 176.385 176.300 0.060 0.000 1.062 1162 R CA -0.078 56.094 56.100 0.119 0.000 1.158 1162 R CB 0.349 30.703 30.300 0.090 0.000 1.046 1162 R HN 0.540 nan 8.270 nan 0.000 0.493 1163 L N 0.270 121.523 121.223 0.049 0.000 2.513 1163 L HA 0.295 4.635 4.340 -0.000 0.000 0.222 1163 L C 1.082 177.977 176.870 0.043 0.000 1.096 1163 L CA 0.635 55.513 54.840 0.064 0.000 0.857 1163 L CB 0.202 42.314 42.059 0.089 0.000 1.026 1163 L HN 0.995 nan 8.230 nan 0.000 0.469 1164 G N -1.670 107.138 108.800 0.014 0.000 2.731 1164 G HA2 0.348 4.308 3.960 -0.000 0.000 0.309 1164 G HA3 0.348 4.308 3.960 -0.000 0.000 0.309 1164 G C -0.532 174.362 174.900 -0.010 0.000 1.273 1164 G CA -0.522 44.578 45.100 0.000 0.000 0.798 1164 G HN -0.288 nan 8.290 nan 0.000 0.509 1165 L N 0.656 121.872 121.223 -0.012 0.000 2.249 1165 L HA 0.286 4.626 4.340 -0.000 0.000 0.207 1165 L C 2.675 179.535 176.870 -0.017 0.000 1.090 1165 L CA 2.080 56.914 54.840 -0.011 0.000 0.802 1165 L CB -0.499 41.558 42.059 -0.004 0.000 0.947 1165 L HN 0.680 nan 8.230 nan 0.000 0.453 1166 G N -1.934 106.852 108.800 -0.023 0.000 3.042 1166 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.212 1166 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.212 1166 G C 1.249 176.133 174.900 -0.026 0.000 1.166 1166 G CA 0.098 45.181 45.100 -0.028 0.000 0.767 1166 G HN 0.269 nan 8.290 nan 0.000 0.546 1167 D N 0.774 121.161 120.400 -0.021 0.000 2.117 1167 D HA 0.083 4.723 4.640 -0.000 0.000 0.197 1167 D C 1.068 177.364 176.300 -0.006 0.000 0.987 1167 D CA 1.374 55.366 54.000 -0.014 0.000 0.829 1167 D CB 0.254 41.053 40.800 -0.002 0.000 0.961 1167 D HN 0.299 nan 8.370 nan 0.000 0.460 1168 A N -1.111 121.707 122.820 -0.002 0.000 2.586 1168 A HA 0.615 4.935 4.320 -0.000 0.000 0.291 1168 A C -1.352 176.230 177.584 -0.005 0.000 1.062 1168 A CA -0.073 51.965 52.037 0.002 0.000 0.666 1168 A CB 1.042 20.056 19.000 0.023 0.000 1.281 1168 A HN 0.137 nan 8.150 nan 0.000 0.421 1169 A N 0.176 122.990 122.820 -0.010 0.000 2.304 1169 A HA 0.779 5.099 4.320 -0.000 0.000 0.301 1169 A C -0.621 176.957 177.584 -0.009 0.000 1.132 1169 A CA -0.339 51.682 52.037 -0.026 0.000 0.819 1169 A CB 0.629 19.604 19.000 -0.042 0.000 1.094 1169 A HN 1.601 nan 8.150 nan 0.000 0.492 1170 L N 3.302 124.517 121.223 -0.013 0.000 2.620 1170 L HA 0.383 4.722 4.340 -0.000 0.000 0.261 1170 L C -1.351 175.551 176.870 0.054 0.000 0.978 1170 L CA -0.402 54.448 54.840 0.017 0.000 0.897 1170 L CB 0.938 43.001 42.059 0.006 0.000 1.207 1170 L HN 0.710 nan 8.230 nan 0.000 0.425 1171 I N 4.551 125.152 120.570 0.051 0.000 2.421 1171 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 1171 I C 0.269 176.497 176.117 0.186 0.000 1.089 1171 I CA 0.121 61.498 61.300 0.129 0.000 1.354 1171 I CB 0.548 38.576 38.000 0.048 0.000 1.413 1171 I HN 0.529 nan 8.210 nan 0.000 0.513 1172 K N 4.274 124.868 120.400 0.324 0.000 2.267 1172 K HA 0.183 4.503 4.320 -0.000 0.000 0.236 1172 K C 0.907 177.514 176.600 0.012 0.000 1.030 1172 K CA -0.726 55.606 56.287 0.074 0.000 0.930 1172 K CB 0.815 33.287 32.500 -0.047 0.000 1.182 1172 K HN 0.557 nan 8.250 nan 0.000 0.474 1173 D N 0.466 120.848 120.400 -0.031 0.000 2.133 1173 D HA -0.244 4.396 4.640 -0.000 0.000 0.195 1173 D C 0.827 177.093 176.300 -0.058 0.000 0.997 1173 D CA 1.674 55.659 54.000 -0.026 0.000 0.840 1173 D CB -0.411 40.375 40.800 -0.023 0.000 0.947 1173 D HN 0.332 nan 8.370 nan 0.000 0.452 1174 N N 0.238 118.850 118.700 -0.147 0.000 2.381 1174 N HA -0.118 4.622 4.740 -0.000 0.000 0.182 1174 N C 1.675 177.094 175.510 -0.151 0.000 1.025 1174 N CA 0.793 53.741 53.050 -0.171 0.000 0.888 1174 N CB -0.314 38.039 38.487 -0.225 0.000 0.965 1174 N HN 0.495 nan 8.380 nan 0.000 0.438 1175 H N -0.146 118.922 119.070 -0.004 0.000 2.384 1175 H HA 0.135 4.691 4.556 -0.000 0.000 0.300 1175 H C 2.193 177.521 175.328 0.000 0.000 1.057 1175 H CA 0.385 56.431 56.048 -0.003 0.000 1.370 1175 H CB -0.295 29.464 29.762 -0.005 0.000 1.417 1175 H HN -0.054 nan 8.280 nan 0.000 0.527 1176 V N 1.585 121.575 119.914 0.128 0.000 2.332 1176 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 1176 V C 2.805 178.928 176.094 0.048 0.000 1.055 1176 V CA 1.696 64.041 62.300 0.074 0.000 1.038 1176 V CB -1.016 30.839 31.823 0.054 0.000 0.651 1176 V HN 0.459 nan 8.190 nan 0.000 0.450 1177 A N -0.057 122.782 122.820 0.031 0.000 1.858 1177 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 1177 A C 2.453 180.052 177.584 0.025 0.000 1.190 1177 A CA 2.291 54.339 52.037 0.018 0.000 0.617 1177 A CB -0.948 18.053 19.000 0.001 0.000 0.827 1177 A HN 0.585 nan 8.150 nan 0.000 0.443 1178 A N -0.306 122.535 122.820 0.035 0.000 1.877 1178 A HA 0.153 4.473 4.320 -0.000 0.000 0.216 1178 A C 2.427 180.034 177.584 0.038 0.000 1.186 1178 A CA 2.178 54.239 52.037 0.039 0.000 0.620 1178 A CB -0.969 18.067 19.000 0.059 0.000 0.822 1178 A HN 1.164 nan 8.150 nan 0.000 0.443 1179 A N -2.299 120.549 122.820 0.048 0.000 2.167 1179 A HA 0.366 4.686 4.320 -0.000 0.000 0.214 1179 A C 2.129 179.729 177.584 0.027 0.000 1.151 1179 A CA 1.378 53.435 52.037 0.035 0.000 0.735 1179 A CB -0.891 18.131 19.000 0.037 0.000 0.802 1179 A HN 1.904 nan 8.150 nan 0.000 0.467 1180 G N -1.580 107.237 108.800 0.028 0.000 2.320 1180 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.242 1180 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.242 1180 G C 0.461 175.375 174.900 0.023 0.000 1.033 1180 G CA 0.954 46.068 45.100 0.022 0.000 0.620 1180 G HN 1.803 nan 8.290 nan 0.000 0.517 1181 S N -1.838 113.878 115.700 0.026 0.000 2.570 1181 S HA 0.599 5.069 4.470 -0.000 0.000 0.270 1181 S C 1.253 175.871 174.600 0.031 0.000 1.149 1181 S CA 0.428 58.644 58.200 0.027 0.000 0.837 1181 S CB 1.607 64.820 63.200 0.022 0.000 1.124 1181 S HN 0.975 nan 8.310 nan 0.000 0.465 1182 V N 2.968 122.901 119.914 0.032 0.000 2.307 1182 V HA -0.067 4.053 4.120 -0.000 0.000 0.245 1182 V C 2.359 178.470 176.094 0.027 0.000 1.045 1182 V CA 2.021 64.342 62.300 0.035 0.000 1.024 1182 V CB -0.997 30.848 31.823 0.037 0.000 0.651 1182 V HN 0.734 nan 8.190 nan 0.000 0.449 1183 V N 0.415 120.343 119.914 0.024 0.000 2.407 1183 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 1183 V C 2.352 178.455 176.094 0.014 0.000 1.055 1183 V CA 2.072 64.382 62.300 0.018 0.000 1.049 1183 V CB -0.770 31.064 31.823 0.018 0.000 0.662 1183 V HN 0.528 nan 8.190 nan 0.000 0.455 1184 D N 0.748 121.157 120.400 0.016 0.000 2.092 1184 D HA -0.159 4.481 4.640 -0.000 0.000 0.193 1184 D C 2.293 178.598 176.300 0.008 0.000 0.994 1184 D CA 1.851 55.859 54.000 0.012 0.000 0.828 1184 D CB -0.466 40.343 40.800 0.015 0.000 0.963 1184 D HN 0.418 nan 8.370 nan 0.000 0.450 1185 A N 0.975 123.803 122.820 0.013 0.000 1.917 1185 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 1185 A C 2.362 179.940 177.584 -0.010 0.000 1.182 1185 A CA 1.175 53.216 52.037 0.006 0.000 0.633 1185 A CB -0.946 18.071 19.000 0.027 0.000 0.819 1185 A HN 0.289 nan 8.150 nan 0.000 0.448 1186 L N -1.176 120.046 121.223 -0.001 0.000 2.017 1186 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 1186 L C 2.816 179.681 176.870 -0.009 0.000 1.073 1186 L CA 1.284 56.120 54.840 -0.006 0.000 0.745 1186 L CB -0.260 41.801 42.059 0.004 0.000 0.894 1186 L HN 0.291 nan 8.230 nan 0.000 0.432 1187 R N -0.088 120.409 120.500 -0.005 0.000 2.073 1187 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 1187 R C 2.219 178.512 176.300 -0.011 0.000 1.134 1187 R CA 1.440 57.536 56.100 -0.005 0.000 0.952 1187 R CB -1.166 29.133 30.300 -0.001 0.000 0.850 1187 R HN 0.477 nan 8.270 nan 0.000 0.433 1188 A N 0.642 123.454 122.820 -0.014 0.000 1.917 1188 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 1188 A C 2.500 180.067 177.584 -0.029 0.000 1.182 1188 A CA 1.962 53.987 52.037 -0.020 0.000 0.633 1188 A CB -0.645 18.342 19.000 -0.022 0.000 0.819 1188 A HN 0.129 nan 8.150 nan 0.000 0.448 1189 V N 0.107 119.998 119.914 -0.038 0.000 2.453 1189 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 1189 V C 2.648 178.723 176.094 -0.031 0.000 1.048 1189 V CA 1.789 64.061 62.300 -0.046 0.000 1.049 1189 V CB -0.803 30.984 31.823 -0.060 0.000 0.672 1189 V HN 0.466 nan 8.190 nan 0.000 0.457 1190 R N 0.836 121.322 120.500 -0.022 0.000 2.105 1190 R HA -0.141 4.199 4.340 -0.000 0.000 0.239 1190 R C 2.073 178.364 176.300 -0.015 0.000 1.135 1190 R CA 1.561 57.652 56.100 -0.016 0.000 0.967 1190 R CB -0.878 29.416 30.300 -0.010 0.000 0.861 1190 R HN 0.567 nan 8.270 nan 0.000 0.442 1191 N N 0.861 119.552 118.700 -0.015 0.000 2.106 1191 N HA -0.093 4.647 4.740 -0.000 0.000 0.188 1191 N C 1.737 177.237 175.510 -0.016 0.000 1.029 1191 N CA 1.538 54.580 53.050 -0.013 0.000 0.848 1191 N CB -0.440 38.040 38.487 -0.012 0.000 1.007 1191 N HN 0.198 nan 8.380 nan 0.000 0.423 1192 A N 0.179 122.987 122.820 -0.021 0.000 1.897 1192 A HA 0.346 4.666 4.320 -0.000 0.000 0.215 1192 A C 1.144 178.714 177.584 -0.023 0.000 1.181 1192 A CA 1.435 53.459 52.037 -0.023 0.000 0.620 1192 A CB -0.195 18.787 19.000 -0.030 0.000 0.821 1192 A HN 0.293 nan 8.150 nan 0.000 0.443 1193 A N -0.654 122.151 122.820 -0.025 0.000 3.216 1193 A HA 0.566 4.886 4.320 -0.000 0.000 0.321 1193 A C -1.651 175.922 177.584 -0.019 0.000 1.042 1193 A CA -0.757 51.266 52.037 -0.023 0.000 0.838 1193 A CB 0.461 19.445 19.000 -0.027 0.000 1.136 1193 A HN 0.211 nan 8.150 nan 0.000 0.483 1194 P HA -0.144 nan 4.420 nan 0.000 0.225 1194 P C 0.377 177.671 177.300 -0.010 0.000 1.148 1194 P CA 1.303 64.396 63.100 -0.012 0.000 0.779 1194 P CB 0.244 31.938 31.700 -0.010 0.000 0.780 1195 D N -1.252 119.142 120.400 -0.011 0.000 2.346 1195 D HA 0.005 4.645 4.640 -0.000 0.000 0.206 1195 D C 0.765 177.059 176.300 -0.011 0.000 1.001 1195 D CA -0.093 53.900 54.000 -0.010 0.000 0.871 1195 D CB -0.403 40.390 40.800 -0.011 0.000 0.943 1195 D HN 0.132 nan 8.370 nan 0.000 0.518 1196 L N 1.680 122.895 121.223 -0.013 0.000 2.375 1196 L HA 0.381 4.721 4.340 -0.000 0.000 0.271 1196 L C -2.325 174.539 176.870 -0.010 0.000 1.107 1196 L CA -1.891 52.941 54.840 -0.013 0.000 0.806 1196 L CB 1.027 43.075 42.059 -0.018 0.000 1.146 1196 L HN -0.274 nan 8.230 nan 0.000 0.447 1197 P HA 0.125 nan 4.420 nan 0.000 0.271 1197 P C -1.280 176.019 177.300 -0.002 0.000 1.216 1197 P CA -0.254 62.843 63.100 -0.004 0.000 0.771 1197 P CB 0.595 32.292 31.700 -0.004 0.000 0.864 1198 C N 3.561 122.861 119.300 0.001 0.000 2.441 1198 C HA 0.514 4.974 4.460 -0.000 0.000 0.318 1198 C C -0.784 174.213 174.990 0.012 0.000 1.222 1198 C CA -0.193 58.825 59.018 0.002 0.000 1.474 1198 C CB 0.107 27.843 27.740 -0.006 0.000 2.125 1198 C HN 0.590 nan 8.230 nan 0.000 0.479 1199 E N 2.601 122.813 120.200 0.020 0.000 2.248 1199 E HA 0.611 4.961 4.350 -0.000 0.000 0.267 1199 E C -1.235 175.378 176.600 0.023 0.000 0.877 1199 E CA -0.432 55.986 56.400 0.030 0.000 0.759 1199 E CB 2.229 31.967 29.700 0.062 0.000 1.182 1199 E HN 0.504 nan 8.360 nan 0.000 0.418 1200 V N 2.212 122.137 119.914 0.018 0.000 2.540 1200 V HA 0.324 4.444 4.120 -0.000 0.000 0.302 1200 V C -0.969 175.130 176.094 0.010 0.000 1.035 1200 V CA -0.552 61.759 62.300 0.019 0.000 0.873 1200 V CB 1.677 33.511 31.823 0.018 0.000 0.992 1200 V HN 0.764 nan 8.190 nan 0.000 0.428 1201 E N 5.363 125.572 120.200 0.016 0.000 2.200 1201 E HA 0.552 4.902 4.350 -0.000 0.000 0.283 1201 E C -0.989 175.617 176.600 0.010 0.000 1.015 1201 E CA -0.514 55.885 56.400 -0.002 0.000 0.819 1201 E CB 1.718 31.420 29.700 0.003 0.000 1.081 1201 E HN 0.745 nan 8.360 nan 0.000 0.397 1202 V N 1.939 121.849 119.914 -0.008 0.000 2.680 1202 V HA 0.420 4.540 4.120 -0.000 0.000 0.309 1202 V C -0.353 175.818 176.094 0.129 0.000 1.052 1202 V CA -0.706 61.627 62.300 0.056 0.000 0.908 1202 V CB 1.764 33.630 31.823 0.073 0.000 1.001 1202 V HN 0.758 nan 8.190 nan 0.000 0.431 1203 D N 1.566 122.090 120.400 0.205 0.000 2.440 1203 D HA 0.303 4.943 4.640 -0.000 0.000 0.216 1203 D C 0.400 176.893 176.300 0.322 0.000 1.150 1203 D CA 0.493 54.678 54.000 0.309 0.000 0.832 1203 D CB 0.326 41.216 40.800 0.151 0.000 0.992 1203 D HN 0.973 nan 8.370 nan 0.000 0.502 1204 S N -1.287 114.591 115.700 0.295 0.000 2.547 1204 S HA 0.344 4.814 4.470 -0.000 0.000 0.270 1204 S C 0.369 175.013 174.600 0.073 0.000 1.150 1204 S CA -0.926 57.273 58.200 -0.001 0.000 0.850 1204 S CB 0.764 63.962 63.200 -0.004 0.000 1.118 1204 S HN -0.011 nan 8.310 nan 0.000 0.461 1205 L N 0.908 122.051 121.223 -0.132 0.000 2.265 1205 L HA -0.051 4.289 4.340 -0.000 0.000 0.215 1205 L C 2.248 179.149 176.870 0.052 0.000 1.117 1205 L CA 1.254 56.092 54.840 -0.003 0.000 0.782 1205 L CB -0.488 41.523 42.059 -0.081 0.000 0.914 1205 L HN 0.717 nan 8.230 nan 0.000 0.441 1206 E N -0.073 120.147 120.200 0.033 0.000 2.028 1206 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 1206 E C 2.213 178.847 176.600 0.057 0.000 0.988 1206 E CA 1.094 57.518 56.400 0.041 0.000 0.799 1206 E CB -0.201 29.516 29.700 0.029 0.000 0.755 1206 E HN 0.419 nan 8.360 nan 0.000 0.447 1207 Q N -0.031 119.812 119.800 0.071 0.000 2.096 1207 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 1207 Q C 2.307 178.356 176.000 0.081 0.000 0.982 1207 Q CA 1.220 57.067 55.803 0.074 0.000 0.850 1207 Q CB -0.287 28.502 28.738 0.085 0.000 0.901 1207 Q HN 0.207 nan 8.270 nan 0.000 0.422 1208 L N 1.372 122.666 121.223 0.118 0.000 2.013 1208 L HA -0.239 4.100 4.340 -0.000 0.000 0.212 1208 L C 1.517 178.431 176.870 0.074 0.000 1.073 1208 L CA 2.007 56.913 54.840 0.110 0.000 0.753 1208 L CB -0.434 41.730 42.059 0.175 0.000 0.890 1208 L HN 0.099 nan 8.230 nan 0.000 0.432 1209 D N 0.044 120.485 120.400 0.069 0.000 2.144 1209 D HA -0.172 4.468 4.640 -0.000 0.000 0.199 1209 D C 2.203 178.528 176.300 0.041 0.000 0.984 1209 D CA 1.562 55.593 54.000 0.051 0.000 0.834 1209 D CB -0.246 40.581 40.800 0.046 0.000 0.955 1209 D HN 0.565 nan 8.370 nan 0.000 0.465 1210 A N 0.616 123.460 122.820 0.041 0.000 1.930 1210 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 1210 A C 2.380 179.983 177.584 0.030 0.000 1.175 1210 A CA 1.859 53.916 52.037 0.034 0.000 0.627 1210 A CB -0.445 18.575 19.000 0.034 0.000 0.815 1210 A HN 0.256 nan 8.150 nan 0.000 0.443 1211 V N -3.260 116.674 119.914 0.034 0.000 3.174 1211 V HA 0.115 4.235 4.120 -0.000 0.000 0.254 1211 V C 2.086 178.195 176.094 0.024 0.000 1.120 1211 V CA 0.775 63.091 62.300 0.027 0.000 1.114 1211 V CB -0.707 31.132 31.823 0.027 0.000 0.756 1211 V HN 0.374 nan 8.190 nan 0.000 0.467 1212 L N 0.963 122.203 121.223 0.028 0.000 2.021 1212 L HA -0.085 4.255 4.340 -0.000 0.000 0.215 1212 L C 0.498 177.380 176.870 0.020 0.000 1.074 1212 L CA 2.613 57.468 54.840 0.025 0.000 0.760 1212 L CB -1.651 40.426 42.059 0.030 0.000 0.889 1212 L HN 0.371 nan 8.230 nan 0.000 0.433 1213 P HA -0.170 nan 4.420 nan 0.000 0.220 1213 P C 0.922 178.230 177.300 0.014 0.000 1.148 1213 P CA 1.225 64.335 63.100 0.016 0.000 0.803 1213 P CB -0.059 31.651 31.700 0.017 0.000 0.782 1214 E N 0.343 120.551 120.200 0.014 0.000 2.418 1214 E HA -0.056 4.294 4.350 -0.000 0.000 0.197 1214 E C 0.423 177.029 176.600 0.010 0.000 1.026 1214 E CA 0.198 56.604 56.400 0.011 0.000 0.862 1214 E CB -0.517 29.189 29.700 0.011 0.000 0.799 1214 E HN 0.325 nan 8.360 nan 0.000 0.518 1215 K N 0.952 121.358 120.400 0.011 0.000 3.419 1215 K HA -0.141 4.179 4.320 -0.000 0.000 0.272 1215 K C -2.353 174.252 176.600 0.009 0.000 0.973 1215 K CA 0.227 56.520 56.287 0.010 0.000 0.749 1215 K CB -1.131 31.374 32.500 0.008 0.000 1.403 1215 K HN 0.238 nan 8.250 nan 0.000 0.456 1216 P HA 0.033 nan 4.420 nan 0.000 0.274 1216 P C 0.419 177.725 177.300 0.011 0.000 1.246 1216 P CA -0.020 63.085 63.100 0.009 0.000 0.795 1216 P CB 0.784 32.490 31.700 0.010 0.000 1.006 1217 E N -0.124 120.083 120.200 0.012 0.000 2.051 1217 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 1217 E C 0.351 176.966 176.600 0.025 0.000 0.991 1217 E CA 1.392 57.802 56.400 0.016 0.000 0.799 1217 E CB -0.209 29.498 29.700 0.013 0.000 0.748 1217 E HN 0.355 nan 8.360 nan 0.000 0.449 1218 L N -0.481 120.757 121.223 0.025 0.000 2.424 1218 L HA 0.475 4.815 4.340 -0.000 0.000 0.258 1218 L C -1.126 175.756 176.870 0.020 0.000 0.995 1218 L CA -0.546 54.315 54.840 0.034 0.000 0.821 1218 L CB 2.237 44.321 42.059 0.040 0.000 1.383 1218 L HN -0.117 nan 8.230 nan 0.000 0.410 1219 I N 2.776 123.352 120.570 0.010 0.000 2.465 1219 I HA 0.411 4.581 4.170 -0.000 0.000 0.291 1219 I C -0.950 175.141 176.117 -0.044 0.000 1.014 1219 I CA -0.559 60.730 61.300 -0.018 0.000 1.093 1219 I CB 2.228 40.211 38.000 -0.030 0.000 1.267 1219 I HN 0.367 nan 8.210 nan 0.000 0.431 1220 L N 7.336 128.523 121.223 -0.058 0.000 2.262 1220 L HA 0.487 4.827 4.340 -0.000 0.000 0.288 1220 L C -0.821 175.928 176.870 -0.202 0.000 1.035 1220 L CA -0.562 54.226 54.840 -0.086 0.000 0.820 1220 L CB 0.693 42.731 42.059 -0.035 0.000 1.204 1220 L HN 0.536 nan 8.230 nan 0.000 0.424 1221 L N 4.854 125.875 121.223 -0.338 0.000 2.385 1221 L HA 0.182 4.522 4.340 -0.000 0.000 0.285 1221 L C -0.176 176.425 176.870 -0.448 0.000 1.125 1221 L CA -0.227 54.164 54.840 -0.747 0.000 0.890 1221 L CB 0.082 41.586 42.059 -0.925 0.000 1.251 1221 L HN 0.606 nan 8.230 nan 0.000 0.445 1222 D N 4.884 125.131 120.400 -0.255 0.000 2.352 1222 D HA 0.027 4.667 4.640 -0.000 0.000 0.245 1222 D C 0.482 176.867 176.300 0.141 0.000 1.224 1222 D CA 0.131 54.114 54.000 -0.028 0.000 0.879 1222 D CB 0.213 41.023 40.800 0.016 0.000 1.057 1222 D HN 0.423 nan 8.370 nan 0.000 0.491 1223 N N 3.140 121.903 118.700 0.104 0.000 2.756 1223 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 1223 N C -0.953 174.744 175.510 0.313 0.000 1.062 1223 N CA 0.421 53.568 53.050 0.162 0.000 0.696 1223 N CB -0.981 37.577 38.487 0.119 0.000 0.946 1223 N HN 0.300 nan 8.380 nan 0.000 0.548 1224 F N 1.006 120.959 119.950 0.006 0.000 2.384 1224 F HA 0.508 5.035 4.527 -0.000 0.000 0.338 1224 F C 1.327 177.153 175.800 0.044 0.000 1.103 1224 F CA -1.112 56.868 58.000 -0.033 0.000 1.157 1224 F CB 0.743 39.710 39.000 -0.055 0.000 1.167 1224 F HN 0.113 nan 8.300 nan 0.000 0.529 1225 A N 2.673 125.488 122.820 -0.008 0.000 2.366 1225 A HA 0.363 4.683 4.320 -0.000 0.000 0.249 1225 A C 1.135 178.655 177.584 -0.106 0.000 1.084 1225 A CA -0.438 51.575 52.037 -0.040 0.000 0.794 1225 A CB 0.170 19.044 19.000 -0.211 0.000 1.034 1225 A HN 0.684 nan 8.150 nan 0.000 0.491 1226 V N 1.605 121.417 119.914 -0.171 0.000 2.392 1226 V HA -0.268 3.852 4.120 -0.000 0.000 0.249 1226 V C 2.260 178.283 176.094 -0.118 0.000 1.059 1226 V CA 2.366 64.456 62.300 -0.351 0.000 1.051 1226 V CB -1.289 30.270 31.823 -0.440 0.000 0.658 1226 V HN 1.079 nan 8.190 nan 0.000 0.455 1227 W N 0.804 122.076 121.300 -0.046 0.000 2.402 1227 W HA -0.152 4.507 4.660 -0.000 0.000 0.286 1227 W C 1.821 178.350 176.519 0.017 0.000 1.221 1227 W CA 1.135 58.468 57.345 -0.019 0.000 1.257 1227 W CB -0.916 28.528 29.460 -0.027 0.000 1.120 1227 W HN 0.284 nan 8.180 nan 0.000 0.551 1228 Q N 0.718 119.921 119.800 -0.996 0.000 2.172 1228 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 1228 Q C 2.316 178.263 176.000 -0.089 0.000 0.964 1228 Q CA 2.296 57.583 55.803 -0.859 0.000 0.855 1228 Q CB -0.278 27.741 28.738 -1.199 0.000 0.918 1228 Q HN 0.172 nan 8.270 nan 0.000 0.444 1229 T N 0.616 115.204 114.554 0.057 0.000 2.821 1229 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 1229 T C 1.714 176.471 174.700 0.095 0.000 1.046 1229 T CA 1.362 63.568 62.100 0.177 0.000 1.139 1229 T CB -0.123 68.859 68.868 0.191 0.000 0.871 1229 T HN 0.163 nan 8.240 nan 0.000 0.454 1230 Q N 1.151 120.985 119.800 0.056 0.000 2.084 1230 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 1230 Q C 2.271 178.319 176.000 0.081 0.000 0.978 1230 Q CA 1.920 57.763 55.803 0.066 0.000 0.844 1230 Q CB -0.886 27.900 28.738 0.080 0.000 0.898 1230 Q HN 0.468 nan 8.270 nan 0.000 0.426 1231 T N 0.469 115.079 114.554 0.093 0.000 2.674 1231 T HA -0.159 4.191 4.350 -0.000 0.000 0.265 1231 T C 1.778 176.532 174.700 0.090 0.000 1.039 1231 T CA 1.614 63.774 62.100 0.101 0.000 1.150 1231 T CB -0.843 68.089 68.868 0.106 0.000 0.864 1231 T HN 0.477 nan 8.240 nan 0.000 0.427 1232 A N 1.150 124.038 122.820 0.114 0.000 1.903 1232 A HA -0.137 4.182 4.320 -0.000 0.000 0.219 1232 A C 2.616 180.243 177.584 0.071 0.000 1.191 1232 A CA 1.938 54.050 52.037 0.124 0.000 0.638 1232 A CB -1.250 17.855 19.000 0.174 0.000 0.823 1232 A HN 0.367 nan 8.150 nan 0.000 0.451 1233 V N -0.466 119.484 119.914 0.060 0.000 2.407 1233 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 1233 V C 2.632 178.747 176.094 0.036 0.000 1.055 1233 V CA 2.302 64.625 62.300 0.038 0.000 1.049 1233 V CB -0.907 30.935 31.823 0.033 0.000 0.662 1233 V HN 0.651 nan 8.190 nan 0.000 0.455 1234 Q N -0.442 119.386 119.800 0.046 0.000 2.079 1234 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 1234 Q C 2.527 178.551 176.000 0.040 0.000 0.974 1234 Q CA 1.555 57.383 55.803 0.042 0.000 0.840 1234 Q CB -0.162 28.607 28.738 0.051 0.000 0.898 1234 Q HN 0.577 nan 8.270 nan 0.000 0.430 1235 R N 0.086 120.615 120.500 0.049 0.000 2.075 1235 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 1235 R C 2.387 178.709 176.300 0.036 0.000 1.126 1235 R CA 0.834 56.961 56.100 0.045 0.000 0.963 1235 R CB -0.227 30.107 30.300 0.056 0.000 0.858 1235 R HN 0.091 nan 8.270 nan 0.000 0.435 1236 R N 1.516 122.036 120.500 0.034 0.000 2.073 1236 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 1236 R C 1.079 177.389 176.300 0.018 0.000 1.134 1236 R CA 1.902 58.016 56.100 0.023 0.000 0.952 1236 R CB -0.483 29.827 30.300 0.017 0.000 0.850 1236 R HN 0.134 nan 8.270 nan 0.000 0.433 1237 D N -0.026 120.384 120.400 0.017 0.000 2.221 1237 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 1237 D C 1.815 178.123 176.300 0.014 0.000 0.982 1237 D CA 1.833 55.840 54.000 0.013 0.000 0.857 1237 D CB 0.035 40.843 40.800 0.013 0.000 0.934 1237 D HN 0.433 nan 8.370 nan 0.000 0.475 1238 S N -0.767 114.944 115.700 0.018 0.000 2.483 1238 S HA 0.120 4.590 4.470 -0.000 0.000 0.221 1238 S C 1.801 176.411 174.600 0.017 0.000 1.030 1238 S CA -0.131 58.079 58.200 0.017 0.000 0.925 1238 S CB 0.326 63.538 63.200 0.021 0.000 0.795 1238 S HN 0.124 nan 8.310 nan 0.000 0.511 1239 R N 1.161 121.672 120.500 0.019 0.000 2.167 1239 R HA 0.483 4.823 4.340 -0.000 0.000 0.201 1239 R C 0.382 176.691 176.300 0.015 0.000 1.024 1239 R CA 0.792 56.903 56.100 0.018 0.000 1.053 1239 R CB 0.248 30.561 30.300 0.022 0.000 0.987 1239 R HN 0.383 nan 8.270 nan 0.000 0.493 1240 A N 1.104 123.933 122.820 0.014 0.000 3.300 1240 A HA 0.355 4.675 4.320 -0.000 0.000 0.300 1240 A C -2.324 175.265 177.584 0.009 0.000 1.099 1240 A CA -1.102 50.942 52.037 0.012 0.000 0.846 1240 A CB 0.764 19.772 19.000 0.013 0.000 1.255 1240 A HN -0.085 nan 8.150 nan 0.000 0.519 1241 P HA -0.230 nan 4.420 nan 0.000 0.218 1241 P C 1.704 179.004 177.300 0.000 0.000 1.150 1241 P CA 2.480 65.582 63.100 0.003 0.000 0.841 1241 P CB 0.100 31.802 31.700 0.003 0.000 0.784 1242 T N -4.972 109.583 114.554 0.003 0.000 3.088 1242 T HA 0.067 4.417 4.350 -0.000 0.000 0.259 1242 T C 0.741 175.445 174.700 0.005 0.000 1.122 1242 T CA 0.021 62.123 62.100 0.003 0.000 1.095 1242 T CB -0.815 68.055 68.868 0.004 0.000 0.930 1242 T HN -0.182 nan 8.240 nan 0.000 0.508 1243 V N 2.661 122.579 119.914 0.007 0.000 2.614 1243 V HA 0.345 4.464 4.120 -0.000 0.000 0.291 1243 V C 0.349 176.447 176.094 0.008 0.000 1.049 1243 V CA -0.328 61.978 62.300 0.010 0.000 1.038 1243 V CB 0.867 32.697 31.823 0.011 0.000 0.980 1243 V HN 0.497 nan 8.190 nan 0.000 0.481 1244 M N 5.090 124.702 119.600 0.021 0.000 2.363 1244 M HA 0.461 4.941 4.480 -0.000 0.000 0.343 1244 M C -1.143 175.178 176.300 0.034 0.000 1.165 1244 M CA -0.724 54.590 55.300 0.023 0.000 1.046 1244 M CB 1.564 34.203 32.600 0.064 0.000 1.648 1244 M HN 0.322 nan 8.290 nan 0.000 0.452 1245 L N 2.446 123.676 121.223 0.011 0.000 2.317 1245 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 1245 L C -0.371 176.527 176.870 0.048 0.000 1.024 1245 L CA -0.080 54.764 54.840 0.005 0.000 0.810 1245 L CB 1.544 43.589 42.059 -0.022 0.000 1.240 1245 L HN 0.642 nan 8.230 nan 0.000 0.427 1246 E N 1.266 121.487 120.200 0.036 0.000 2.260 1246 E HA 0.497 4.846 4.350 -0.000 0.000 0.266 1246 E C -1.366 175.220 176.600 -0.023 0.000 0.887 1246 E CA -0.417 56.028 56.400 0.075 0.000 0.777 1246 E CB 1.322 31.091 29.700 0.115 0.000 1.205 1246 E HN 0.592 nan 8.360 nan 0.000 0.414 1247 S N 2.396 118.083 115.700 -0.021 0.000 2.513 1247 S HA 0.473 4.943 4.470 -0.000 0.000 0.276 1247 S C -0.647 173.890 174.600 -0.107 0.000 1.254 1247 S CA -0.585 57.561 58.200 -0.089 0.000 1.053 1247 S CB 1.435 64.588 63.200 -0.077 0.000 0.958 1247 S HN 0.418 nan 8.310 nan 0.000 0.491 1248 S N 1.603 117.229 115.700 -0.124 0.000 2.546 1248 S HA 0.804 5.274 4.470 -0.000 0.000 0.272 1248 S C 0.116 174.664 174.600 -0.088 0.000 1.140 1248 S CA 0.293 58.431 58.200 -0.103 0.000 0.920 1248 S CB 1.002 64.157 63.200 -0.076 0.000 1.083 1248 S HN 1.218 nan 8.310 nan 0.000 0.476 1249 G N 2.906 111.663 108.800 -0.072 0.000 2.061 1249 G HA2 0.136 4.096 3.960 -0.000 0.000 0.059 1249 G HA3 0.136 4.096 3.960 -0.000 0.000 0.059 1249 G C 0.399 175.288 174.900 -0.018 0.000 1.013 1249 G CA 0.039 45.122 45.100 -0.029 0.000 1.185 1249 G HN 1.471 nan 8.290 nan 0.000 0.410 1250 G N 0.721 109.518 108.800 -0.006 0.000 3.401 1250 G HA2 0.502 4.462 3.960 -0.000 0.000 0.251 1250 G HA3 0.502 4.462 3.960 -0.000 0.000 0.251 1250 G C -0.287 174.613 174.900 0.000 0.000 0.960 1250 G CA 0.116 45.236 45.100 0.033 0.000 1.900 1250 G HN 0.401 nan 8.290 nan 0.000 0.645 1251 L N 1.569 122.781 121.223 -0.018 0.000 2.307 1251 L HA 0.636 4.976 4.340 -0.000 0.000 0.282 1251 L C 0.581 177.608 176.870 0.263 0.000 1.051 1251 L CA -0.577 54.289 54.840 0.044 0.000 0.804 1251 L CB 1.680 43.761 42.059 0.038 0.000 1.197 1251 L HN 0.296 nan 8.230 nan 0.000 0.431 1252 S N 1.947 117.790 115.700 0.238 0.000 2.595 1252 S HA 0.426 4.896 4.470 -0.000 0.000 0.281 1252 S C 0.382 174.833 174.600 -0.248 0.000 1.117 1252 S CA -0.708 57.565 58.200 0.122 0.000 0.873 1252 S CB 1.158 64.394 63.200 0.059 0.000 1.108 1252 S HN 0.413 nan 8.310 nan 0.000 0.477 1253 L N 1.425 122.298 121.223 -0.583 0.000 2.191 1253 L HA 0.006 4.346 4.340 -0.000 0.000 0.212 1253 L C 2.391 178.981 176.870 -0.467 0.000 1.103 1253 L CA 1.832 56.071 54.840 -1.002 0.000 0.769 1253 L CB -0.996 40.548 42.059 -0.858 0.000 0.908 1253 L HN 0.802 nan 8.230 nan 0.000 0.438 1254 Q N -1.307 118.351 119.800 -0.236 0.000 2.245 1254 Q HA -0.042 4.298 4.340 -0.000 0.000 0.201 1254 Q C 1.909 177.876 176.000 -0.055 0.000 0.955 1254 Q CA 1.588 57.319 55.803 -0.120 0.000 0.870 1254 Q CB -1.084 27.618 28.738 -0.060 0.000 0.945 1254 Q HN 0.674 nan 8.270 nan 0.000 0.461 1255 T N -2.777 111.774 114.554 -0.005 0.000 3.044 1255 T HA 0.434 4.784 4.350 -0.000 0.000 0.250 1255 T C 1.919 176.747 174.700 0.213 0.000 1.081 1255 T CA 0.444 62.623 62.100 0.131 0.000 1.040 1255 T CB 0.081 69.115 68.868 0.276 0.000 0.962 1255 T HN 0.197 nan 8.240 nan 0.000 0.506 1256 A N 2.326 125.189 122.820 0.073 0.000 1.896 1256 A HA 0.042 4.362 4.320 -0.000 0.000 0.220 1256 A C 2.781 180.469 177.584 0.173 0.000 1.206 1256 A CA 2.325 54.452 52.037 0.149 0.000 0.647 1256 A CB -1.530 17.450 19.000 -0.035 0.000 0.828 1256 A HN 0.807 nan 8.150 nan 0.000 0.455 1257 A N -1.508 121.358 122.820 0.077 0.000 1.972 1257 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 1257 A C 2.257 179.887 177.584 0.077 0.000 1.169 1257 A CA 2.211 54.289 52.037 0.069 0.000 0.635 1257 A CB -1.189 17.825 19.000 0.023 0.000 0.810 1257 A HN 0.488 nan 8.150 nan 0.000 0.446 1258 T N -1.279 113.318 114.554 0.071 0.000 2.788 1258 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 1258 T C 1.683 176.367 174.700 -0.028 0.000 1.044 1258 T CA 1.749 63.849 62.100 -0.001 0.000 1.139 1258 T CB -0.421 68.411 68.868 -0.059 0.000 0.867 1258 T HN 0.579 nan 8.240 nan 0.000 0.454 1259 Y N 1.320 121.653 120.300 0.055 0.000 2.220 1259 Y HA 0.105 4.655 4.550 -0.000 0.000 0.291 1259 Y C 2.757 178.686 175.900 0.050 0.000 1.129 1259 Y CA 0.674 58.811 58.100 0.061 0.000 1.161 1259 Y CB -0.648 37.862 38.460 0.083 0.000 0.997 1259 Y HN 0.179 nan 8.280 nan 0.000 0.522 1260 A N 0.277 123.224 122.820 0.212 0.000 1.908 1260 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 1260 A C 1.999 179.625 177.584 0.071 0.000 1.181 1260 A CA 1.935 54.047 52.037 0.125 0.000 0.627 1260 A CB -0.637 18.429 19.000 0.110 0.000 0.818 1260 A HN 0.527 nan 8.150 nan 0.000 0.445 1261 E N -0.502 119.731 120.200 0.055 0.000 2.204 1261 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 1261 E C 2.108 178.721 176.600 0.022 0.000 0.990 1261 E CA 1.444 57.861 56.400 0.027 0.000 0.821 1261 E CB -0.381 29.328 29.700 0.015 0.000 0.750 1261 E HN 0.895 nan 8.360 nan 0.000 0.477 1262 T N -2.658 111.912 114.554 0.027 0.000 2.881 1262 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 1262 T C 1.634 176.349 174.700 0.026 0.000 1.068 1262 T CA 1.087 63.202 62.100 0.025 0.000 1.131 1262 T CB 0.007 68.896 68.868 0.035 0.000 0.871 1262 T HN 0.321 nan 8.240 nan 0.000 0.479 1263 G N 0.577 109.391 108.800 0.024 0.000 2.192 1263 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.193 1263 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.193 1263 G C 0.146 175.041 174.900 -0.009 0.000 0.999 1263 G CA -0.086 45.017 45.100 0.005 0.000 0.659 1263 G HN 1.363 nan 8.290 nan 0.000 0.503 1264 V N -1.357 118.563 119.914 0.011 0.000 3.178 1264 V HA 0.316 4.436 4.120 -0.000 0.000 0.306 1264 V C 1.229 177.277 176.094 -0.078 0.000 1.107 1264 V CA 0.909 63.202 62.300 -0.010 0.000 1.195 1264 V CB 0.762 32.605 31.823 0.034 0.000 0.993 1264 V HN 0.176 nan 8.190 nan 0.000 0.493 1265 D N 0.492 120.798 120.400 -0.157 0.000 2.249 1265 D HA 0.106 4.746 4.640 -0.000 0.000 0.205 1265 D C -0.219 175.699 176.300 -0.636 0.000 0.962 1265 D CA 1.602 55.349 54.000 -0.421 0.000 0.860 1265 D CB 0.252 40.730 40.800 -0.536 0.000 0.955 1265 D HN 0.702 nan 8.370 nan 0.000 0.505 1266 Y N -0.860 119.426 120.300 -0.024 0.000 2.625 1266 Y HA 0.450 5.000 4.550 -0.000 0.000 0.338 1266 Y C -0.905 174.977 175.900 -0.029 0.000 1.123 1266 Y CA -1.050 57.028 58.100 -0.035 0.000 1.046 1266 Y CB 1.422 39.839 38.460 -0.072 0.000 1.299 1266 Y HN -0.326 nan 8.280 nan 0.000 0.464 1267 L N 1.874 123.187 121.223 0.149 0.000 2.404 1267 L HA 0.779 5.119 4.340 -0.000 0.000 0.272 1267 L C -0.564 176.279 176.870 -0.045 0.000 0.980 1267 L CA -0.724 54.136 54.840 0.034 0.000 0.836 1267 L CB 1.663 43.757 42.059 0.058 0.000 1.238 1267 L HN 0.760 nan 8.230 nan 0.000 0.408 1268 A N 4.298 127.075 122.820 -0.072 0.000 2.279 1268 A HA 0.700 5.020 4.320 -0.000 0.000 0.306 1268 A C -0.611 176.846 177.584 -0.211 0.000 1.300 1268 A CA -0.413 51.565 52.037 -0.099 0.000 0.925 1268 A CB 0.356 19.343 19.000 -0.021 0.000 1.152 1268 A HN 0.391 nan 8.150 nan 0.000 0.544 1269 V N 3.693 123.406 119.914 -0.335 0.000 2.313 1269 V HA 0.374 4.494 4.120 -0.000 0.000 0.278 1269 V C 1.413 177.275 176.094 -0.388 0.000 1.017 1269 V CA 0.262 62.267 62.300 -0.492 0.000 0.823 1269 V CB 0.905 32.111 31.823 -1.028 0.000 1.010 1269 V HN 1.029 nan 8.190 nan 0.000 0.443 1270 G N 3.438 112.072 108.800 -0.276 0.000 2.422 1270 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.218 1270 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.218 1270 G C 1.524 175.969 174.900 -0.758 0.000 1.140 1270 G CA 0.999 45.934 45.100 -0.275 0.000 0.775 1270 G HN 0.837 nan 8.290 nan 0.000 0.545 1271 A N 0.427 122.816 122.820 -0.719 0.000 2.070 1271 A HA 0.089 4.409 4.320 -0.000 0.000 0.220 1271 A C 2.222 179.523 177.584 -0.472 0.000 1.159 1271 A CA 0.985 52.563 52.037 -0.766 0.000 0.656 1271 A CB -0.273 18.613 19.000 -0.190 0.000 0.800 1271 A HN 0.288 nan 8.150 nan 0.000 0.453 1272 L N 0.094 121.066 121.223 -0.419 0.000 2.127 1272 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 1272 L C 2.703 179.440 176.870 -0.222 0.000 1.089 1272 L CA 2.518 57.182 54.840 -0.293 0.000 0.757 1272 L CB -0.885 40.978 42.059 -0.325 0.000 0.899 1272 L HN 0.702 nan 8.230 nan 0.000 0.434 1273 T N -4.945 109.466 114.554 -0.238 0.000 3.026 1273 T HA 0.102 4.452 4.350 -0.000 0.000 0.245 1273 T C 0.696 175.385 174.700 -0.018 0.000 1.004 1273 T CA 0.085 62.120 62.100 -0.108 0.000 1.069 1273 T CB -0.300 68.532 68.868 -0.061 0.000 1.005 1273 T HN 0.407 nan 8.240 nan 0.000 0.472 1274 H N 1.202 120.270 119.070 -0.002 0.000 2.499 1274 H HA 0.708 5.264 4.556 -0.000 0.000 0.352 1274 H C 0.303 175.642 175.328 0.019 0.000 1.237 1274 H CA -0.596 55.462 56.048 0.018 0.000 1.343 1274 H CB 0.232 29.997 29.762 0.004 0.000 1.578 1274 H HN 0.039 nan 8.280 nan 0.000 0.577 1275 S N -1.326 114.574 115.700 0.333 0.000 3.631 1275 S HA -0.156 4.314 4.470 -0.000 0.000 0.366 1275 S C 0.026 174.674 174.600 0.081 0.000 0.993 1275 S CA 0.590 58.920 58.200 0.216 0.000 1.167 1275 S CB -2.317 61.064 63.200 0.301 0.000 0.909 1275 S HN 0.993 nan 8.310 nan 0.000 0.478 1276 V N -0.079 119.870 119.914 0.058 0.000 2.532 1276 V HA 0.703 4.823 4.120 -0.000 0.000 0.295 1276 V C 0.249 176.348 176.094 0.008 0.000 1.041 1276 V CA -1.002 61.286 62.300 -0.019 0.000 0.926 1276 V CB 1.829 33.547 31.823 -0.175 0.000 0.992 1276 V HN 0.458 nan 8.190 nan 0.000 0.457 1277 R N 4.129 124.624 120.500 -0.008 0.000 2.294 1277 R HA 0.561 4.901 4.340 -0.000 0.000 0.319 1277 R C -0.807 175.490 176.300 -0.004 0.000 0.984 1277 R CA -0.572 55.535 56.100 0.011 0.000 0.861 1277 R CB 1.801 32.111 30.300 0.016 0.000 1.104 1277 R HN 0.814 nan 8.270 nan 0.000 0.451 1278 V N 5.736 125.662 119.914 0.020 0.000 2.763 1278 V HA 0.007 4.127 4.120 -0.000 0.000 0.306 1278 V C -0.130 175.971 176.094 0.011 0.000 1.059 1278 V CA -0.129 62.185 62.300 0.023 0.000 1.138 1278 V CB 0.891 32.744 31.823 0.050 0.000 0.940 1278 V HN 0.581 nan 8.190 nan 0.000 0.489 1279 L N 6.233 127.459 121.223 0.006 0.000 2.315 1279 L HA 0.356 4.696 4.340 -0.000 0.000 0.283 1279 L C 0.096 176.974 176.870 0.012 0.000 1.089 1279 L CA 0.163 55.007 54.840 0.005 0.000 0.833 1279 L CB 0.683 42.743 42.059 0.001 0.000 1.170 1279 L HN 0.729 nan 8.230 nan 0.000 0.442 1280 D N 5.723 126.129 120.400 0.011 0.000 2.363 1280 D HA 0.229 4.869 4.640 -0.000 0.000 0.263 1280 D C -0.609 175.696 176.300 0.009 0.000 1.258 1280 D CA 0.540 54.547 54.000 0.011 0.000 0.907 1280 D CB 0.095 40.901 40.800 0.010 0.000 1.107 1280 D HN 0.424 nan 8.370 nan 0.000 0.495 1281 I N 2.496 123.072 120.570 0.010 0.000 2.582 1281 I HA 0.531 4.701 4.170 -0.000 0.000 0.292 1281 I C 0.686 176.806 176.117 0.005 0.000 1.066 1281 I CA -0.959 60.345 61.300 0.007 0.000 1.053 1281 I CB 2.427 40.433 38.000 0.009 0.000 1.241 1281 I HN 0.330 nan 8.210 nan 0.000 0.421 1282 G N 4.407 113.209 108.800 0.003 0.000 2.537 1282 G HA2 0.672 4.632 3.960 -0.000 0.000 0.308 1282 G HA3 0.672 4.632 3.960 -0.000 0.000 0.308 1282 G C -1.801 173.099 174.900 -0.001 0.000 1.237 1282 G CA -0.624 44.477 45.100 0.001 0.000 0.968 1282 G HN 0.401 nan 8.290 nan 0.000 0.481 1283 L N 1.121 122.342 121.223 -0.004 0.000 2.262 1283 L HA 0.494 4.834 4.340 -0.000 0.000 0.288 1283 L C -1.108 175.760 176.870 -0.003 0.000 1.035 1283 L CA -0.772 54.064 54.840 -0.006 0.000 0.820 1283 L CB 1.052 43.105 42.059 -0.011 0.000 1.204 1283 L HN 0.246 nan 8.230 nan 0.000 0.424 1284 D N 6.343 126.742 120.400 -0.001 0.000 2.233 1284 D HA 0.488 5.127 4.640 -0.000 0.000 0.240 1284 D C -0.112 176.189 176.300 0.001 0.000 1.074 1284 D CA 0.082 54.083 54.000 0.001 0.000 0.838 1284 D CB 1.713 42.514 40.800 0.002 0.000 1.124 1284 D HN 0.519 nan 8.370 nan 0.000 0.475 1285 M N 0.000 119.601 119.600 0.002 0.000 2.572 1285 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1285 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1285 M CB 0.000 32.601 32.600 0.002 0.000 1.302 1285 M HN 0.000 nan 8.290 nan 0.000 0.411