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 1ef2_1_A DATA FIRST_RESID 1002 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLXIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVCHH LDPDIAEDVA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1002 S C 0.000 174.617 174.600 0.029 0.000 1.055 1002 S CA 0.000 58.221 58.200 0.035 0.000 1.107 1002 S CB 0.000 63.222 63.200 0.037 0.000 0.593 1003 N N 0.129 118.847 118.700 0.029 0.000 2.331 1003 N HA 0.722 5.462 4.740 -0.000 0.000 0.280 1003 N C -2.023 173.507 175.510 0.032 0.000 1.155 1003 N CA -0.267 52.792 53.050 0.015 0.000 0.822 1003 N CB 2.721 41.211 38.487 0.005 0.000 1.619 1003 N HN 0.710 nan 8.380 nan 0.000 0.476 1004 I N 0.879 121.467 120.570 0.029 0.000 2.752 1004 I HA 0.265 4.435 4.170 -0.000 0.000 0.295 1004 I C -0.027 176.115 176.117 0.042 0.000 1.219 1004 I CA -0.422 60.920 61.300 0.069 0.000 1.030 1004 I CB 1.824 39.921 38.000 0.162 0.000 1.259 1004 I HN 0.608 nan 8.210 nan 0.000 0.423 1005 S N 6.170 121.899 115.700 0.049 0.000 2.579 1005 S HA 0.301 4.771 4.470 -0.000 0.000 0.275 1005 S C 1.061 175.695 174.600 0.056 0.000 1.345 1005 S CA -0.388 57.830 58.200 0.030 0.000 1.031 1005 S CB 1.378 64.596 63.200 0.029 0.000 0.892 1005 S HN 0.805 nan 8.310 nan 0.000 0.529 1006 R N 0.561 121.071 120.500 0.015 0.000 2.105 1006 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 1006 R C 2.417 178.783 176.300 0.110 0.000 1.135 1006 R CA 1.779 57.897 56.100 0.029 0.000 0.967 1006 R CB -0.476 29.813 30.300 -0.017 0.000 0.861 1006 R HN 0.806 nan 8.270 nan 0.000 0.442 1007 Q N 0.800 120.647 119.800 0.079 0.000 1.993 1007 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 1007 Q C 1.956 178.011 176.000 0.092 0.000 0.984 1007 Q CA 2.205 58.055 55.803 0.078 0.000 0.837 1007 Q CB -0.412 28.355 28.738 0.048 0.000 0.902 1007 Q HN 0.291 nan 8.270 nan 0.000 0.423 1008 A N -0.651 122.220 122.820 0.084 0.000 1.978 1008 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 1008 A C 2.075 179.719 177.584 0.101 0.000 1.170 1008 A CA 1.588 53.665 52.037 0.066 0.000 0.636 1008 A CB -1.111 17.924 19.000 0.059 0.000 0.810 1008 A HN 0.647 nan 8.150 nan 0.000 0.448 1009 Y N 0.395 120.733 120.300 0.064 0.000 2.145 1009 Y HA -0.101 4.449 4.550 -0.000 0.000 0.286 1009 Y C 2.674 178.671 175.900 0.162 0.000 1.145 1009 Y CA 1.507 59.700 58.100 0.156 0.000 1.148 1009 Y CB -0.390 38.131 38.460 0.101 0.000 0.981 1009 Y HN 0.316 nan 8.280 nan 0.000 0.507 1010 A N -0.086 122.905 122.820 0.285 0.000 1.933 1010 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 1010 A C 1.762 179.376 177.584 0.050 0.000 1.175 1010 A CA 2.019 54.169 52.037 0.188 0.000 0.628 1010 A CB -0.786 18.313 19.000 0.165 0.000 0.814 1010 A HN 0.527 nan 8.150 nan 0.000 0.444 1011 D N -1.340 119.064 120.400 0.008 0.000 2.264 1011 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 1011 D C 1.811 178.021 176.300 -0.150 0.000 0.966 1011 D CA 0.973 54.945 54.000 -0.047 0.000 0.864 1011 D CB -0.117 40.661 40.800 -0.037 0.000 0.933 1011 D HN 0.494 nan 8.370 nan 0.000 0.499 1012 M N -1.585 117.849 119.600 -0.276 0.000 2.556 1012 M HA 0.089 4.569 4.480 -0.000 0.000 0.264 1012 M C 0.392 176.194 176.300 -0.829 0.000 1.163 1012 M CA 0.911 55.833 55.300 -0.631 0.000 1.186 1012 M CB 0.472 32.535 32.600 -0.894 0.000 1.321 1012 M HN -0.105 nan 8.290 nan 0.000 0.485 1013 F N -0.013 119.783 119.950 -0.256 0.000 2.729 1013 F HA 0.469 4.996 4.527 -0.000 0.000 0.315 1013 F C 0.804 176.561 175.800 -0.073 0.000 1.102 1013 F CA 0.055 57.926 58.000 -0.216 0.000 1.204 1013 F CB 0.434 39.175 39.000 -0.431 0.000 1.052 1013 F HN 0.233 nan 8.300 nan 0.000 0.551 1014 G N 1.721 110.580 108.800 0.097 0.000 2.707 1014 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 1014 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 1014 G C -2.972 172.054 174.900 0.210 0.000 1.315 1014 G CA -1.391 43.790 45.100 0.134 0.000 0.832 1014 G HN -0.051 nan 8.290 nan 0.000 0.573 1015 P HA 0.365 nan 4.420 nan 0.000 0.269 1015 P C 0.173 177.614 177.300 0.234 0.000 1.209 1015 P CA 0.524 63.740 63.100 0.193 0.000 0.776 1015 P CB 1.493 33.268 31.700 0.125 0.000 0.876 1016 T N 0.554 115.244 114.554 0.227 0.000 2.841 1016 T HA 0.278 4.628 4.350 -0.000 0.000 0.276 1016 T C -0.311 174.467 174.700 0.131 0.000 1.003 1016 T CA -0.808 61.419 62.100 0.212 0.000 0.995 1016 T CB 0.638 69.630 68.868 0.207 0.000 1.260 1016 T HN 0.107 nan 8.240 nan 0.000 0.581 1017 V N 2.309 122.298 119.914 0.126 0.000 2.555 1017 V HA 0.317 4.437 4.120 -0.000 0.000 0.299 1017 V C 1.797 177.928 176.094 0.062 0.000 1.012 1017 V CA 1.679 64.032 62.300 0.089 0.000 1.180 1017 V CB -0.265 31.611 31.823 0.088 0.000 0.887 1017 V HN 1.301 nan 8.190 nan 0.000 0.476 1018 G N 3.662 112.494 108.800 0.054 0.000 2.232 1018 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.226 1018 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.226 1018 G C -0.063 174.861 174.900 0.041 0.000 0.996 1018 G CA -0.010 45.113 45.100 0.038 0.000 0.626 1018 G HN 0.654 nan 8.290 nan 0.000 0.509 1019 D N 1.246 121.682 120.400 0.059 0.000 2.339 1019 D HA 0.558 5.198 4.640 -0.000 0.000 0.245 1019 D C 0.542 176.896 176.300 0.089 0.000 1.115 1019 D CA 0.327 54.370 54.000 0.073 0.000 0.917 1019 D CB 1.021 41.876 40.800 0.092 0.000 1.192 1019 D HN 0.388 nan 8.370 nan 0.000 0.428 1020 K N 0.159 120.635 120.400 0.127 0.000 2.267 1020 K HA 0.676 4.995 4.320 -0.000 0.000 0.246 1020 K C -1.006 175.758 176.600 0.274 0.000 0.954 1020 K CA -0.960 55.455 56.287 0.213 0.000 0.824 1020 K CB 2.334 34.983 32.500 0.249 0.000 1.167 1020 K HN 0.078 nan 8.250 nan 0.000 0.431 1021 V N 1.765 121.801 119.914 0.203 0.000 2.760 1021 V HA 0.372 4.492 4.120 -0.000 0.000 0.309 1021 V C -0.603 175.293 176.094 -0.330 0.000 1.077 1021 V CA -0.979 61.308 62.300 -0.021 0.000 0.910 1021 V CB 1.837 33.607 31.823 -0.088 0.000 1.008 1021 V HN 0.697 nan 8.190 nan 0.000 0.424 1022 R N 4.136 124.198 120.500 -0.730 0.000 2.308 1022 R HA 0.529 4.869 4.340 -0.000 0.000 0.305 1022 R C -0.965 174.947 176.300 -0.647 0.000 1.053 1022 R CA -0.540 54.887 56.100 -1.122 0.000 0.957 1022 R CB 0.637 30.160 30.300 -1.296 0.000 1.022 1022 R HN 0.714 nan 8.270 nan 0.000 0.461 1023 L N 6.359 127.212 121.223 -0.616 0.000 2.342 1023 L HA 0.267 4.607 4.340 -0.000 0.000 0.285 1023 L C 1.125 177.777 176.870 -0.363 0.000 1.095 1023 L CA 0.233 54.747 54.840 -0.543 0.000 0.843 1023 L CB 0.454 42.102 42.059 -0.686 0.000 1.201 1023 L HN 1.135 nan 8.230 nan 0.000 0.445 1024 A N 4.176 126.836 122.820 -0.267 0.000 5.483 1024 A HA -0.308 4.012 4.320 -0.000 0.000 0.309 1024 A C 0.736 178.221 177.584 -0.166 0.000 1.898 1024 A CA 1.427 53.355 52.037 -0.182 0.000 0.716 1024 A CB -1.077 17.805 19.000 -0.197 0.000 1.309 1024 A HN 0.951 nan 8.150 nan 0.000 0.380 1025 D N 0.160 120.511 120.400 -0.082 0.000 2.615 1025 D HA 0.368 5.008 4.640 -0.000 0.000 0.236 1025 D C 0.620 176.829 176.300 -0.152 0.000 1.233 1025 D CA 0.949 54.890 54.000 -0.099 0.000 0.829 1025 D CB -0.944 39.834 40.800 -0.037 0.000 1.024 1025 D HN 1.095 nan 8.370 nan 0.000 0.490 1026 T N -2.908 111.529 114.554 -0.196 0.000 2.880 1026 T HA 0.295 4.645 4.350 -0.000 0.000 0.279 1026 T C 0.774 175.448 174.700 -0.043 0.000 0.990 1026 T CA -0.532 61.459 62.100 -0.182 0.000 0.938 1026 T CB 1.827 70.621 68.868 -0.124 0.000 1.206 1026 T HN -0.221 nan 8.240 nan 0.000 0.573 1027 E N -0.038 120.306 120.200 0.240 0.000 2.474 1027 E HA 0.268 4.618 4.350 -0.000 0.000 0.195 1027 E C 0.047 176.744 176.600 0.161 0.000 1.039 1027 E CA -0.084 56.447 56.400 0.219 0.000 0.881 1027 E CB -0.107 29.743 29.700 0.250 0.000 0.970 1027 E HN 0.546 nan 8.360 nan 0.000 0.486 1028 L N 0.944 122.168 121.223 0.002 0.000 2.319 1028 L HA 0.185 4.525 4.340 -0.000 0.000 0.280 1028 L C -0.370 176.377 176.870 -0.205 0.000 1.099 1028 L CA -0.206 54.617 54.840 -0.028 0.000 0.828 1028 L CB 0.301 42.311 42.059 -0.082 0.000 1.150 1028 L HN -0.076 nan 8.230 nan 0.000 0.442 1029 W N 4.977 126.231 121.300 -0.077 0.000 2.632 1029 W HA 0.622 5.282 4.660 -0.000 0.000 0.328 1029 W C -0.068 176.390 176.519 -0.102 0.000 1.044 1029 W CA -0.488 56.802 57.345 -0.091 0.000 1.225 1029 W CB 1.462 30.890 29.460 -0.053 0.000 1.396 1029 W HN 0.243 nan 8.180 nan 0.000 0.499 1030 I N -0.381 120.230 120.570 0.069 0.000 2.648 1030 I HA 0.699 4.869 4.170 -0.000 0.000 0.304 1030 I C -0.692 175.461 176.117 0.061 0.000 1.009 1030 I CA -1.122 60.179 61.300 0.002 0.000 1.114 1030 I CB 2.288 40.205 38.000 -0.139 0.000 1.293 1030 I HN 0.436 nan 8.210 nan 0.000 0.449 1031 E N 4.021 124.248 120.200 0.044 0.000 2.246 1031 E HA 0.402 4.752 4.350 -0.000 0.000 0.266 1031 E C -1.407 175.215 176.600 0.036 0.000 0.880 1031 E CA -0.882 55.550 56.400 0.054 0.000 0.762 1031 E CB 2.438 32.170 29.700 0.054 0.000 1.180 1031 E HN 0.620 nan 8.360 nan 0.000 0.416 1032 V N 5.189 125.130 119.914 0.044 0.000 2.434 1032 V HA -0.063 4.057 4.120 -0.000 0.000 0.281 1032 V C 1.019 177.144 176.094 0.051 0.000 1.005 1032 V CA 0.797 63.126 62.300 0.047 0.000 1.089 1032 V CB 0.400 32.265 31.823 0.071 0.000 0.978 1032 V HN 0.841 nan 8.190 nan 0.000 0.474 1033 E N 2.311 122.539 120.200 0.048 0.000 2.216 1033 E HA 0.016 4.366 4.350 -0.000 0.000 0.192 1033 E C 0.329 176.967 176.600 0.064 0.000 0.988 1033 E CA 0.536 56.969 56.400 0.056 0.000 0.834 1033 E CB 0.339 30.076 29.700 0.061 0.000 0.772 1033 E HN 0.757 nan 8.360 nan 0.000 0.479 1034 D N -0.838 119.604 120.400 0.070 0.000 2.648 1034 D HA 0.162 4.802 4.640 -0.000 0.000 0.244 1034 D C -1.954 174.389 176.300 0.071 0.000 1.244 1034 D CA -0.505 53.536 54.000 0.069 0.000 0.772 1034 D CB 2.075 42.923 40.800 0.081 0.000 1.379 1034 D HN -0.206 nan 8.370 nan 0.000 0.428 1035 D N 1.786 122.214 120.400 0.046 0.000 2.736 1035 D HA 0.244 4.884 4.640 -0.000 0.000 0.243 1035 D C 0.179 176.464 176.300 -0.024 0.000 1.304 1035 D CA -0.386 53.635 54.000 0.036 0.000 0.934 1035 D CB 1.540 42.372 40.800 0.052 0.000 1.382 1035 D HN 0.106 nan 8.370 nan 0.000 0.571 1036 L N 2.299 123.524 121.223 0.004 0.000 2.591 1036 L HA 0.164 4.504 4.340 -0.000 0.000 0.228 1036 L C 1.481 178.319 176.870 -0.054 0.000 1.133 1036 L CA 0.437 55.267 54.840 -0.016 0.000 0.880 1036 L CB -0.480 41.595 42.059 0.026 0.000 1.033 1036 L HN 0.360 nan 8.230 nan 0.000 0.450 1037 T N -0.995 113.506 114.554 -0.088 0.000 2.788 1037 T HA 0.282 4.632 4.350 -0.000 0.000 0.280 1037 T C 0.200 174.762 174.700 -0.231 0.000 0.984 1037 T CA -0.194 61.840 62.100 -0.110 0.000 0.972 1037 T CB 0.634 69.470 68.868 -0.054 0.000 1.039 1037 T HN 0.093 nan 8.240 nan 0.000 0.530 1038 T N 3.081 117.536 114.554 -0.165 0.000 2.809 1038 T HA 0.359 4.709 4.350 -0.000 0.000 0.296 1038 T C -0.792 173.859 174.700 -0.081 0.000 1.015 1038 T CA -0.205 61.798 62.100 -0.162 0.000 0.954 1038 T CB -0.084 68.745 68.868 -0.066 0.000 0.950 1038 T HN 0.526 nan 8.240 nan 0.000 0.450 1039 Y N 1.949 122.238 120.300 -0.018 0.000 2.802 1039 Y HA 0.232 4.782 4.550 -0.000 0.000 0.333 1039 Y C 1.743 177.635 175.900 -0.013 0.000 1.244 1039 Y CA 0.743 58.834 58.100 -0.016 0.000 1.558 1039 Y CB 0.139 38.573 38.460 -0.043 0.000 1.233 1039 Y HN 1.043 nan 8.280 nan 0.000 0.547 1040 G N 2.221 111.108 108.800 0.145 0.000 2.213 1040 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.226 1040 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.226 1040 G C 0.556 175.469 174.900 0.021 0.000 0.992 1040 G CA -0.088 45.053 45.100 0.068 0.000 0.632 1040 G HN 0.554 nan 8.290 nan 0.000 0.511 1041 E N 0.986 121.190 120.200 0.006 0.000 2.499 1041 E HA 0.232 4.582 4.350 -0.000 0.000 0.199 1041 E C 0.281 176.868 176.600 -0.022 0.000 1.016 1041 E CA 0.012 56.411 56.400 -0.001 0.000 0.933 1041 E CB 0.432 30.136 29.700 0.006 0.000 1.050 1041 E HN 0.685 nan 8.360 nan 0.000 0.462 1042 E N 0.751 120.894 120.200 -0.095 0.000 2.392 1042 E HA 0.062 4.412 4.350 -0.000 0.000 0.264 1042 E C 0.161 176.773 176.600 0.021 0.000 1.024 1042 E CA -0.121 56.216 56.400 -0.105 0.000 0.903 1042 E CB 0.861 30.311 29.700 -0.418 0.000 0.963 1042 E HN -0.093 nan 8.360 nan 0.000 0.432 1043 V N 0.372 120.329 119.914 0.073 0.000 2.465 1043 V HA 0.494 4.614 4.120 -0.000 0.000 0.279 1043 V C 0.019 176.218 176.094 0.174 0.000 1.045 1043 V CA -0.581 61.789 62.300 0.116 0.000 0.938 1043 V CB 0.995 32.878 31.823 0.099 0.000 0.986 1043 V HN 0.507 nan 8.190 nan 0.000 0.467 1044 K N 3.551 124.064 120.400 0.188 0.000 2.464 1044 K HA 0.576 4.896 4.320 -0.000 0.000 0.253 1044 K C -1.905 174.808 176.600 0.189 0.000 0.933 1044 K CA -0.683 55.722 56.287 0.197 0.000 0.801 1044 K CB 2.605 35.224 32.500 0.198 0.000 1.271 1044 K HN 0.736 nan 8.250 nan 0.000 0.430 1045 F N 1.587 121.564 119.950 0.044 0.000 2.450 1045 F HA 0.719 5.246 4.527 -0.000 0.000 0.332 1045 F C 0.121 175.928 175.800 0.012 0.000 1.093 1045 F CA 0.327 58.343 58.000 0.026 0.000 1.003 1045 F CB 1.748 40.761 39.000 0.021 0.000 1.151 1045 F HN 0.665 nan 8.300 nan 0.000 0.474 1046 G N 2.450 110.606 108.800 -1.073 0.000 2.341 1046 G HA2 0.365 4.325 3.960 -0.000 0.000 0.293 1046 G HA3 0.365 4.325 3.960 -0.000 0.000 0.293 1046 G C -0.914 173.653 174.900 -0.556 0.000 1.298 1046 G CA -0.443 44.190 45.100 -0.778 0.000 0.868 1046 G HN 1.006 nan 8.290 nan 0.000 0.540 1047 G N -0.802 107.799 108.800 -0.331 0.000 2.334 1047 G HA2 0.548 4.508 3.960 -0.000 0.000 0.261 1047 G HA3 0.548 4.508 3.960 -0.000 0.000 0.261 1047 G C 1.404 176.214 174.900 -0.149 0.000 1.257 1047 G CA 1.666 46.642 45.100 -0.207 0.000 0.935 1047 G HN 2.409 nan 8.290 nan 0.000 0.480 1048 G N 1.652 110.381 108.800 -0.118 0.000 2.162 1048 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 1048 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 1048 G C 0.845 175.709 174.900 -0.061 0.000 0.976 1048 G CA 0.764 45.821 45.100 -0.071 0.000 0.655 1048 G HN 0.719 nan 8.290 nan 0.000 0.533 1049 K N -0.304 120.039 120.400 -0.095 0.000 2.525 1049 K HA 0.552 4.872 4.320 -0.000 0.000 0.262 1049 K C 1.956 178.557 176.600 0.001 0.000 1.049 1049 K CA 0.049 56.306 56.287 -0.050 0.000 0.961 1049 K CB -0.251 32.197 32.500 -0.086 0.000 1.258 1049 K HN 0.074 nan 8.250 nan 0.000 0.501 1050 V N 0.731 120.675 119.914 0.049 0.000 2.323 1050 V HA -0.099 4.021 4.120 -0.000 0.000 0.244 1050 V C 1.419 177.563 176.094 0.083 0.000 1.041 1050 V CA 1.168 63.510 62.300 0.070 0.000 1.025 1050 V CB -0.353 31.525 31.823 0.093 0.000 0.656 1050 V HN 0.472 nan 8.190 nan 0.000 0.451 1051 I N 2.569 123.216 120.570 0.128 0.000 2.668 1051 I HA 0.096 4.266 4.170 -0.000 0.000 0.309 1051 I C 0.381 176.595 176.117 0.162 0.000 1.195 1051 I CA 0.762 62.161 61.300 0.165 0.000 1.919 1051 I CB -0.857 37.295 38.000 0.253 0.000 1.551 1051 I HN 0.275 nan 8.210 nan 0.000 0.908 1052 R N 2.468 123.026 120.500 0.096 0.000 2.740 1052 R HA 0.258 4.598 4.340 -0.000 0.000 0.273 1052 R C -0.874 175.458 176.300 0.053 0.000 0.998 1052 R CA -1.196 54.950 56.100 0.075 0.000 0.900 1052 R CB 1.692 32.019 30.300 0.045 0.000 1.223 1052 R HN 0.231 nan 8.270 nan 0.000 0.466 1053 D N 0.397 120.823 120.400 0.044 0.000 2.662 1053 D HA 0.024 4.664 4.640 -0.000 0.000 0.233 1053 D C 1.189 177.505 176.300 0.025 0.000 1.129 1053 D CA 2.588 56.607 54.000 0.031 0.000 0.851 1053 D CB 0.341 41.156 40.800 0.024 0.000 1.152 1053 D HN 0.701 nan 8.370 nan 0.000 0.507 1054 G N 2.664 111.478 108.800 0.023 0.000 2.205 1054 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.261 1054 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.261 1054 G C 0.746 175.660 174.900 0.023 0.000 0.980 1054 G CA 0.958 46.070 45.100 0.020 0.000 0.632 1054 G HN 0.522 nan 8.290 nan 0.000 0.533 1055 M N -1.069 118.548 119.600 0.029 0.000 2.371 1055 M HA 0.462 4.942 4.480 -0.000 0.000 0.183 1055 M C 2.389 178.712 176.300 0.038 0.000 1.550 1055 M CA 0.854 56.174 55.300 0.033 0.000 1.726 1055 M CB -0.276 32.345 32.600 0.035 0.000 0.963 1055 M HN 0.120 nan 8.290 nan 0.000 0.795 1056 G N 0.167 108.997 108.800 0.049 0.000 2.848 1056 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.208 1056 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.208 1056 G C 0.295 175.225 174.900 0.051 0.000 1.152 1056 G CA 0.106 45.239 45.100 0.055 0.000 0.789 1056 G HN 0.435 nan 8.290 nan 0.000 0.531 1057 Q N -0.014 119.814 119.800 0.046 0.000 2.340 1057 Q HA 0.562 4.902 4.340 -0.000 0.000 0.268 1057 Q C 0.193 176.207 176.000 0.024 0.000 1.031 1057 Q CA -0.687 55.137 55.803 0.035 0.000 0.804 1057 Q CB 1.748 30.512 28.738 0.043 0.000 1.286 1057 Q HN 0.147 nan 8.270 nan 0.000 0.448 1058 G N 1.158 109.967 108.800 0.015 0.000 2.531 1058 G HA2 0.134 4.094 3.960 -0.000 0.000 0.281 1058 G HA3 0.134 4.094 3.960 -0.000 0.000 0.281 1058 G C 0.049 174.953 174.900 0.006 0.000 1.382 1058 G CA -0.181 44.925 45.100 0.011 0.000 1.045 1058 G HN 0.663 nan 8.290 nan 0.000 0.533 1059 Q N -0.260 119.542 119.800 0.004 0.000 2.219 1059 Q HA 0.102 4.442 4.340 -0.000 0.000 0.209 1059 Q C 1.000 176.997 176.000 -0.004 0.000 0.854 1059 Q CA -0.320 55.483 55.803 0.001 0.000 0.960 1059 Q CB 0.302 29.041 28.738 0.003 0.000 1.116 1059 Q HN 0.643 nan 8.270 nan 0.000 0.500 1060 M N -0.275 119.321 119.600 -0.007 0.000 2.243 1060 M HA 0.249 4.729 4.480 -0.000 0.000 0.341 1060 M C -0.011 176.277 176.300 -0.019 0.000 1.130 1060 M CA -0.037 55.256 55.300 -0.011 0.000 1.162 1060 M CB 0.190 32.783 32.600 -0.012 0.000 1.497 1060 M HN -0.086 nan 8.290 nan 0.000 0.456 1061 L N 2.565 123.777 121.223 -0.019 0.000 2.476 1061 L HA 0.223 4.563 4.340 -0.000 0.000 0.255 1061 L C 1.949 178.797 176.870 -0.037 0.000 1.218 1061 L CA -0.081 54.745 54.840 -0.024 0.000 0.819 1061 L CB 0.004 42.053 42.059 -0.018 0.000 1.119 1061 L HN 1.019 nan 8.230 nan 0.000 0.485 1062 A N 1.408 124.204 122.820 -0.040 0.000 1.903 1062 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 1062 A C 2.303 179.847 177.584 -0.065 0.000 1.191 1062 A CA 2.190 54.194 52.037 -0.054 0.000 0.638 1062 A CB -0.988 17.984 19.000 -0.048 0.000 0.823 1062 A HN 0.923 nan 8.150 nan 0.000 0.451 1063 A N -0.762 122.031 122.820 -0.046 0.000 2.076 1063 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 1063 A C 1.384 178.936 177.584 -0.053 0.000 1.160 1063 A CA 1.813 53.826 52.037 -0.041 0.000 0.653 1063 A CB -0.373 18.617 19.000 -0.017 0.000 0.801 1063 A HN 0.506 nan 8.150 nan 0.000 0.455 1064 D N -1.254 119.113 120.400 -0.054 0.000 2.363 1064 D HA 0.194 4.834 4.640 -0.000 0.000 0.214 1064 D C 0.266 176.512 176.300 -0.090 0.000 1.093 1064 D CA 0.630 54.600 54.000 -0.050 0.000 0.837 1064 D CB -0.088 40.700 40.800 -0.020 0.000 0.948 1064 D HN 0.616 nan 8.370 nan 0.000 0.507 1065 C N -1.016 118.199 119.300 -0.142 0.000 3.090 1065 C HA 0.754 5.214 4.460 -0.000 0.000 0.305 1065 C C 0.435 175.262 174.990 -0.273 0.000 1.292 1065 C CA -1.277 57.635 59.018 -0.176 0.000 1.482 1065 C CB 1.039 28.719 27.740 -0.101 0.000 1.897 1065 C HN 0.019 nan 8.230 nan 0.000 0.469 1066 V N 0.080 119.810 119.914 -0.306 0.000 3.051 1066 V HA 0.343 4.463 4.120 -0.000 0.000 0.306 1066 V C 0.546 176.540 176.094 -0.168 0.000 1.083 1066 V CA 0.588 62.699 62.300 -0.315 0.000 1.104 1066 V CB 0.505 32.188 31.823 -0.233 0.000 1.027 1066 V HN 0.918 nan 8.190 nan 0.000 0.483 1067 D N 0.687 121.009 120.400 -0.129 0.000 2.216 1067 D HA 0.172 4.812 4.640 -0.000 0.000 0.208 1067 D C 0.249 176.509 176.300 -0.067 0.000 0.960 1067 D CA 1.172 55.121 54.000 -0.085 0.000 0.861 1067 D CB 0.537 41.301 40.800 -0.060 0.000 0.985 1067 D HN 0.518 nan 8.370 nan 0.000 0.493 1068 L N 0.502 121.697 121.223 -0.047 0.000 2.436 1068 L HA 0.479 4.819 4.340 -0.000 0.000 0.268 1068 L C -1.513 175.353 176.870 -0.007 0.000 0.974 1068 L CA -0.770 54.051 54.840 -0.031 0.000 0.826 1068 L CB 2.504 44.557 42.059 -0.011 0.000 1.291 1068 L HN -0.281 nan 8.230 nan 0.000 0.406 1069 V N 6.116 126.024 119.914 -0.010 0.000 2.540 1069 V HA 0.616 4.736 4.120 -0.000 0.000 0.302 1069 V C -1.203 174.908 176.094 0.030 0.000 1.035 1069 V CA -0.494 61.819 62.300 0.022 0.000 0.873 1069 V CB 1.954 33.789 31.823 0.021 0.000 0.992 1069 V HN 0.724 nan 8.190 nan 0.000 0.428 1070 L N 6.613 127.871 121.223 0.059 0.000 2.277 1070 L HA 0.500 4.840 4.340 -0.000 0.000 0.284 1070 L C 0.674 177.594 176.870 0.084 0.000 1.028 1070 L CA 0.001 54.881 54.840 0.067 0.000 0.835 1070 L CB 1.604 43.710 42.059 0.080 0.000 1.215 1070 L HN 0.842 nan 8.230 nan 0.000 0.425 1071 T N -0.436 114.170 114.554 0.086 0.000 2.913 1071 T HA 0.215 4.565 4.350 -0.000 0.000 0.297 1071 T C 0.598 175.371 174.700 0.121 0.000 1.029 1071 T CA -0.707 61.457 62.100 0.106 0.000 1.104 1071 T CB 0.407 69.347 68.868 0.120 0.000 0.964 1071 T HN 0.614 nan 8.240 nan 0.000 0.532 1072 N N 0.327 119.105 118.700 0.130 0.000 2.686 1072 N HA -0.168 4.572 4.740 -0.000 0.000 0.261 1072 N C -0.092 175.499 175.510 0.135 0.000 1.001 1072 N CA 0.803 53.941 53.050 0.145 0.000 0.764 1072 N CB -1.469 37.130 38.487 0.187 0.000 0.898 1072 N HN 1.085 nan 8.380 nan 0.000 0.544 1073 A N 0.368 123.263 122.820 0.126 0.000 2.310 1073 A HA 0.571 4.891 4.320 -0.000 0.000 0.299 1073 A C 0.360 178.014 177.584 0.117 0.000 1.147 1073 A CA -0.652 51.459 52.037 0.123 0.000 0.818 1073 A CB 0.949 20.024 19.000 0.125 0.000 1.096 1073 A HN 0.350 nan 8.150 nan 0.000 0.495 1074 L N 4.225 125.512 121.223 0.106 0.000 2.270 1074 L HA 0.458 4.798 4.340 -0.000 0.000 0.286 1074 L C -0.545 176.360 176.870 0.058 0.000 1.059 1074 L CA -0.066 54.819 54.840 0.075 0.000 0.839 1074 L CB -0.230 41.862 42.059 0.055 0.000 1.221 1074 L HN 0.554 nan 8.230 nan 0.000 0.431 1075 I N 5.334 125.927 120.570 0.038 0.000 2.441 1075 I HA 0.245 4.415 4.170 -0.000 0.000 0.287 1075 I C -0.415 175.623 176.117 -0.133 0.000 1.049 1075 I CA -0.496 60.798 61.300 -0.010 0.000 1.381 1075 I CB 1.226 39.226 38.000 0.001 0.000 1.409 1075 I HN 0.241 nan 8.210 nan 0.000 0.523 1076 V N 5.743 125.587 119.914 -0.117 0.000 2.376 1076 V HA 0.438 4.558 4.120 -0.000 0.000 0.287 1076 V C -0.573 175.391 176.094 -0.217 0.000 1.015 1076 V CA -0.343 61.855 62.300 -0.171 0.000 0.834 1076 V CB 1.540 33.304 31.823 -0.099 0.000 1.001 1076 V HN 0.680 nan 8.190 nan 0.000 0.428 1077 D N 0.843 120.962 120.400 -0.468 0.000 2.596 1077 D HA 0.308 4.948 4.640 -0.000 0.000 0.262 1077 D C 0.789 176.796 176.300 -0.490 0.000 1.210 1077 D CA -0.437 53.228 54.000 -0.558 0.000 0.873 1077 D CB 1.591 41.748 40.800 -1.073 0.000 1.408 1077 D HN 0.697 nan 8.370 nan 0.000 0.441 1078 H N -0.069 118.906 119.070 -0.159 0.000 2.457 1078 H HA -0.065 4.491 4.556 -0.000 0.000 0.297 1078 H C 1.451 176.891 175.328 0.188 0.000 1.092 1078 H CA 1.743 57.833 56.048 0.071 0.000 1.309 1078 H CB -0.359 29.497 29.762 0.156 0.000 1.382 1078 H HN 0.512 nan 8.280 nan 0.000 0.535 1079 W N 0.428 121.603 121.300 -0.208 0.000 3.197 1079 W HA 0.587 5.247 4.660 -0.000 0.000 0.274 1079 W C -0.153 176.391 176.519 0.042 0.000 1.297 1079 W CA 0.154 57.496 57.345 -0.006 0.000 1.662 1079 W CB 0.139 29.518 29.460 -0.136 0.000 1.106 1079 W HN 0.405 nan 8.180 nan 0.000 0.663 1080 G N 0.960 109.568 108.800 -0.321 0.000 2.328 1080 G HA2 0.371 4.331 3.960 -0.000 0.000 0.299 1080 G HA3 0.371 4.331 3.960 -0.000 0.000 0.299 1080 G C -1.964 172.703 174.900 -0.387 0.000 1.435 1080 G CA -1.070 43.919 45.100 -0.184 0.000 0.865 1080 G HN 0.065 nan 8.290 nan 0.000 0.601 1081 I N 1.578 122.049 120.570 -0.166 0.000 2.595 1081 I HA 0.413 4.583 4.170 -0.000 0.000 0.275 1081 I C 0.229 176.315 176.117 -0.052 0.000 1.092 1081 I CA -0.875 60.338 61.300 -0.145 0.000 1.145 1081 I CB 1.250 39.192 38.000 -0.097 0.000 1.276 1081 I HN 0.550 nan 8.210 nan 0.000 0.497 1082 V N 1.685 121.574 119.914 -0.041 0.000 2.960 1082 V HA 0.660 4.780 4.120 -0.000 0.000 0.315 1082 V C -0.489 175.651 176.094 0.076 0.000 1.087 1082 V CA -1.045 61.289 62.300 0.058 0.000 0.982 1082 V CB 2.176 34.089 31.823 0.151 0.000 1.039 1082 V HN 0.484 nan 8.190 nan 0.000 0.437 1083 K N 1.845 122.303 120.400 0.097 0.000 2.234 1083 K HA 0.881 5.201 4.320 -0.000 0.000 0.277 1083 K C -0.436 176.233 176.600 0.115 0.000 1.038 1083 K CA 0.666 57.020 56.287 0.111 0.000 0.888 1083 K CB 0.866 33.444 32.500 0.131 0.000 1.091 1083 K HN 1.524 nan 8.250 nan 0.000 0.467 1084 A N 3.192 126.085 122.820 0.122 0.000 2.540 1084 A HA 0.453 4.773 4.320 -0.000 0.000 0.291 1084 A C -1.735 175.919 177.584 0.117 0.000 1.083 1084 A CA -0.933 51.173 52.037 0.114 0.000 0.650 1084 A CB 0.831 19.909 19.000 0.131 0.000 1.292 1084 A HN 0.649 nan 8.150 nan 0.000 0.435 1085 D N 0.550 121.013 120.400 0.105 0.000 2.175 1085 D HA 0.607 5.247 4.640 -0.000 0.000 0.248 1085 D C -0.653 175.717 176.300 0.117 0.000 1.047 1085 D CA 0.297 54.361 54.000 0.106 0.000 0.883 1085 D CB 1.452 42.308 40.800 0.093 0.000 1.180 1085 D HN 0.429 nan 8.370 nan 0.000 0.438 1086 I N 0.891 121.533 120.570 0.120 0.000 2.404 1086 I HA 0.421 4.591 4.170 -0.000 0.000 0.293 1086 I C 0.768 176.965 176.117 0.132 0.000 0.992 1086 I CA -0.745 60.635 61.300 0.132 0.000 1.149 1086 I CB 2.065 40.146 38.000 0.136 0.000 1.315 1086 I HN 0.200 nan 8.210 nan 0.000 0.446 1087 G N 5.095 113.999 108.800 0.173 0.000 2.416 1087 G HA2 0.647 4.606 3.960 -0.000 0.000 0.329 1087 G HA3 0.647 4.606 3.960 -0.000 0.000 0.329 1087 G C -1.148 173.882 174.900 0.217 0.000 1.173 1087 G CA -0.391 44.828 45.100 0.198 0.000 0.929 1087 G HN 0.341 nan 8.290 nan 0.000 0.475 1088 V N 1.708 121.699 119.914 0.128 0.000 2.531 1088 V HA 0.603 4.723 4.120 -0.000 0.000 0.301 1088 V C -0.183 175.938 176.094 0.046 0.000 1.034 1088 V CA -0.808 61.563 62.300 0.118 0.000 0.865 1088 V CB 1.820 33.693 31.823 0.082 0.000 0.995 1088 V HN 0.807 nan 8.190 nan 0.000 0.424 1089 K N 2.744 123.193 120.400 0.081 0.000 2.468 1089 K HA 0.440 4.760 4.320 -0.000 0.000 0.252 1089 K C -0.615 176.023 176.600 0.064 0.000 0.932 1089 K CA -0.524 55.764 56.287 0.001 0.000 0.794 1089 K CB 1.474 33.902 32.500 -0.121 0.000 1.241 1089 K HN 0.681 nan 8.250 nan 0.000 0.428 1090 D N 2.758 123.183 120.400 0.042 0.000 2.811 1090 D HA -0.197 4.443 4.640 -0.000 0.000 0.231 1090 D C 0.597 176.952 176.300 0.092 0.000 1.157 1090 D CA 1.839 55.882 54.000 0.073 0.000 0.716 1090 D CB -1.168 39.677 40.800 0.076 0.000 1.077 1090 D HN 1.077 nan 8.370 nan 0.000 0.428 1091 G N -0.625 108.227 108.800 0.087 0.000 2.184 1091 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.264 1091 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.264 1091 G C 0.361 175.311 174.900 0.084 0.000 0.975 1091 G CA 0.718 45.872 45.100 0.090 0.000 0.642 1091 G HN 0.553 nan 8.290 nan 0.000 0.536 1092 R N -0.891 119.666 120.500 0.096 0.000 2.854 1092 R HA 0.636 4.976 4.340 -0.000 0.000 0.271 1092 R C 0.156 176.537 176.300 0.135 0.000 0.996 1092 R CA -1.207 54.956 56.100 0.105 0.000 0.961 1092 R CB 1.346 31.705 30.300 0.098 0.000 1.182 1092 R HN 0.157 nan 8.270 nan 0.000 0.479 1093 I N 2.760 123.404 120.570 0.123 0.000 2.578 1093 I HA -0.092 4.078 4.170 -0.000 0.000 0.286 1093 I C 0.991 177.194 176.117 0.144 0.000 1.126 1093 I CA 0.312 61.692 61.300 0.134 0.000 1.380 1093 I CB 0.093 38.158 38.000 0.109 0.000 1.408 1093 I HN 0.599 nan 8.210 nan 0.000 0.532 1094 F N 7.015 126.987 119.950 0.037 0.000 2.094 1094 F HA 0.310 4.837 4.527 -0.000 0.000 0.291 1094 F C 1.100 176.912 175.800 0.019 0.000 1.109 1094 F CA 0.897 58.913 58.000 0.027 0.000 1.221 1094 F CB 0.254 39.269 39.000 0.025 0.000 1.014 1094 F HN 0.456 nan 8.300 nan 0.000 0.473 1095 A N -0.457 122.361 122.820 -0.003 0.000 2.601 1095 A HA 0.603 4.923 4.320 -0.000 0.000 0.291 1095 A C -1.556 176.050 177.584 0.037 0.000 1.075 1095 A CA -0.590 51.379 52.037 -0.112 0.000 0.671 1095 A CB 0.560 19.439 19.000 -0.202 0.000 1.277 1095 A HN 0.108 nan 8.150 nan 0.000 0.417 1096 I N 1.704 122.274 120.570 0.001 0.000 2.464 1096 I HA 0.591 4.761 4.170 -0.000 0.000 0.277 1096 I C 0.661 176.802 176.117 0.041 0.000 1.040 1096 I CA 0.207 61.540 61.300 0.056 0.000 1.153 1096 I CB 1.349 39.385 38.000 0.060 0.000 1.274 1096 I HN 0.980 nan 8.210 nan 0.000 0.469 1097 G N 5.101 113.940 108.800 0.064 0.000 3.046 1097 G HA2 0.278 4.237 3.960 -0.000 0.000 0.137 1097 G HA3 0.278 4.237 3.960 -0.000 0.000 0.137 1097 G C -1.334 173.599 174.900 0.055 0.000 1.207 1097 G CA -0.289 44.840 45.100 0.048 0.000 1.218 1097 G HN 0.222 nan 8.290 nan 0.000 0.625 1098 K N 1.138 121.566 120.400 0.047 0.000 2.425 1098 K HA 0.699 5.019 4.320 -0.000 0.000 0.259 1098 K C -0.401 176.232 176.600 0.055 0.000 0.978 1098 K CA -0.365 55.946 56.287 0.041 0.000 0.883 1098 K CB 1.112 33.623 32.500 0.017 0.000 1.110 1098 K HN 0.686 nan 8.250 nan 0.000 0.436 1099 A N 2.449 125.306 122.820 0.062 0.000 2.286 1099 A HA 0.846 5.166 4.320 -0.000 0.000 0.286 1099 A C 0.361 177.977 177.584 0.053 0.000 1.097 1099 A CA 0.425 52.501 52.037 0.064 0.000 0.821 1099 A CB 0.807 19.849 19.000 0.070 0.000 1.076 1099 A HN 0.903 nan 8.150 nan 0.000 0.490 1100 G N 0.187 109.016 108.800 0.048 0.000 2.356 1100 G HA2 0.258 4.218 3.960 -0.000 0.000 0.266 1100 G HA3 0.258 4.218 3.960 -0.000 0.000 0.266 1100 G C -1.485 173.436 174.900 0.035 0.000 1.312 1100 G CA -0.328 44.797 45.100 0.043 0.000 0.922 1100 G HN 1.016 nan 8.290 nan 0.000 0.480 1101 N N 0.982 119.701 118.700 0.033 0.000 2.476 1101 N HA 0.584 5.324 4.740 -0.000 0.000 0.257 1101 N C -1.624 173.901 175.510 0.025 0.000 0.970 1101 N CA -2.302 50.764 53.050 0.027 0.000 0.938 1101 N CB 2.316 40.819 38.487 0.026 0.000 1.144 1101 N HN 0.016 nan 8.380 nan 0.000 0.500 1102 P HA -0.047 nan 4.420 nan 0.000 0.221 1102 P C 0.280 177.592 177.300 0.019 0.000 1.145 1102 P CA 0.874 63.987 63.100 0.022 0.000 0.795 1102 P CB 0.466 32.180 31.700 0.024 0.000 0.775 1103 D N -0.682 119.728 120.400 0.018 0.000 2.144 1103 D HA -0.120 4.520 4.640 -0.000 0.000 0.199 1103 D C 1.714 178.024 176.300 0.016 0.000 0.984 1103 D CA 1.247 55.256 54.000 0.016 0.000 0.834 1103 D CB -0.244 40.566 40.800 0.015 0.000 0.955 1103 D HN 0.352 nan 8.370 nan 0.000 0.465 1104 I N -3.635 116.946 120.570 0.019 0.000 4.526 1104 I HA 0.235 4.404 4.170 -0.000 0.000 0.330 1104 I C 0.006 176.135 176.117 0.020 0.000 1.323 1104 I CA -0.390 60.921 61.300 0.019 0.000 1.218 1104 I CB 0.387 38.399 38.000 0.020 0.000 1.233 1104 I HN -0.297 nan 8.210 nan 0.000 0.430 1105 Q N 3.365 123.177 119.800 0.021 0.000 2.257 1105 Q HA 0.562 4.902 4.340 -0.000 0.000 0.262 1105 Q C -2.537 173.473 176.000 0.017 0.000 0.997 1105 Q CA -2.021 53.794 55.803 0.020 0.000 0.873 1105 Q CB 1.958 30.710 28.738 0.023 0.000 1.312 1105 Q HN 0.115 nan 8.270 nan 0.000 0.450 1106 P HA 0.169 nan 4.420 nan 0.000 0.285 1106 P C -1.026 176.278 177.300 0.006 0.000 1.269 1106 P CA -0.313 62.792 63.100 0.009 0.000 0.844 1106 P CB 0.685 32.388 31.700 0.005 0.000 1.094 1107 N N -2.007 116.696 118.700 0.005 0.000 2.678 1107 N HA -0.142 4.598 4.740 -0.000 0.000 0.249 1107 N C -0.314 175.203 175.510 0.013 0.000 1.119 1107 N CA 0.269 53.321 53.050 0.003 0.000 0.718 1107 N CB -1.766 36.716 38.487 -0.009 0.000 1.060 1107 N HN 0.154 nan 8.380 nan 0.000 0.552 1108 V N 0.987 120.914 119.914 0.021 0.000 2.446 1108 V HA 0.076 4.196 4.120 -0.000 0.000 0.276 1108 V C 1.747 177.869 176.094 0.046 0.000 1.030 1108 V CA 1.052 63.372 62.300 0.034 0.000 1.033 1108 V CB 0.956 32.800 31.823 0.036 0.000 0.993 1108 V HN 0.503 nan 8.190 nan 0.000 0.477 1109 T N 1.819 116.408 114.554 0.058 0.000 2.990 1109 T HA 0.353 4.703 4.350 -0.000 0.000 0.249 1109 T C 0.408 175.198 174.700 0.150 0.000 1.039 1109 T CA 0.223 62.370 62.100 0.077 0.000 1.036 1109 T CB 0.142 69.037 68.868 0.044 0.000 0.994 1109 T HN 0.356 nan 8.240 nan 0.000 0.489 1110 I N 4.074 124.729 120.570 0.142 0.000 2.428 1110 I HA 0.357 4.527 4.170 -0.000 0.000 0.279 1110 I C -2.646 173.526 176.117 0.092 0.000 1.040 1110 I CA -2.765 58.645 61.300 0.183 0.000 1.171 1110 I CB 1.840 39.944 38.000 0.173 0.000 1.312 1110 I HN -0.037 nan 8.210 nan 0.000 0.470 1111 P HA 0.208 nan 4.420 nan 0.000 0.271 1111 P C -0.511 176.779 177.300 -0.017 0.000 1.220 1111 P CA 0.161 63.270 63.100 0.016 0.000 0.768 1111 P CB 1.158 32.861 31.700 0.005 0.000 0.848 1112 I N 2.797 123.365 120.570 -0.002 0.000 2.321 1112 I HA 0.501 4.671 4.170 -0.000 0.000 0.291 1112 I C 1.095 177.205 176.117 -0.013 0.000 0.998 1112 I CA -0.108 61.186 61.300 -0.010 0.000 1.227 1112 I CB 1.685 39.692 38.000 0.013 0.000 1.368 1112 I HN 0.418 nan 8.210 nan 0.000 0.466 1113 G N 3.006 111.788 108.800 -0.030 0.000 3.176 1113 G HA2 0.559 4.519 3.960 -0.000 0.000 0.272 1113 G HA3 0.559 4.519 3.960 -0.000 0.000 0.272 1113 G C 0.604 175.488 174.900 -0.027 0.000 1.349 1113 G CA 0.045 45.130 45.100 -0.025 0.000 0.953 1113 G HN 0.602 nan 8.290 nan 0.000 0.559 1114 A N -0.606 122.200 122.820 -0.023 0.000 1.908 1114 A HA 0.191 4.511 4.320 -0.000 0.000 0.218 1114 A C 2.485 180.045 177.584 -0.039 0.000 1.181 1114 A CA 2.698 54.721 52.037 -0.024 0.000 0.627 1114 A CB -0.817 18.172 19.000 -0.020 0.000 0.818 1114 A HN 1.523 nan 8.150 nan 0.000 0.445 1115 A N -0.837 121.954 122.820 -0.047 0.000 2.235 1115 A HA 0.251 4.571 4.320 -0.000 0.000 0.208 1115 A C 0.896 178.437 177.584 -0.071 0.000 1.172 1115 A CA 0.913 52.914 52.037 -0.059 0.000 0.786 1115 A CB -0.690 18.274 19.000 -0.061 0.000 0.804 1115 A HN 0.319 nan 8.150 nan 0.000 0.479 1116 T N 1.257 115.769 114.554 -0.071 0.000 2.728 1116 T HA 0.381 4.731 4.350 -0.000 0.000 0.296 1116 T C -0.144 174.495 174.700 -0.102 0.000 0.940 1116 T CA -0.288 61.764 62.100 -0.080 0.000 1.013 1116 T CB 1.160 69.987 68.868 -0.068 0.000 0.912 1116 T HN 0.472 nan 8.240 nan 0.000 0.484 1117 E N 2.768 122.903 120.200 -0.108 0.000 2.349 1117 E HA 0.457 4.807 4.350 -0.000 0.000 0.262 1117 E C -1.054 175.453 176.600 -0.155 0.000 1.088 1117 E CA -0.549 55.765 56.400 -0.144 0.000 0.899 1117 E CB 0.762 30.393 29.700 -0.114 0.000 1.044 1117 E HN 0.320 nan 8.360 nan 0.000 0.420 1118 V N 4.552 124.326 119.914 -0.235 0.000 2.656 1118 V HA 0.442 4.562 4.120 -0.000 0.000 0.307 1118 V C -0.345 175.652 176.094 -0.162 0.000 1.051 1118 V CA -0.673 61.499 62.300 -0.214 0.000 0.893 1118 V CB 1.636 33.249 31.823 -0.350 0.000 0.999 1118 V HN 0.648 nan 8.190 nan 0.000 0.426 1119 I N 3.483 124.016 120.570 -0.063 0.000 2.418 1119 I HA 0.584 4.754 4.170 -0.000 0.000 0.287 1119 I C 0.387 176.521 176.117 0.028 0.000 1.008 1119 I CA -0.682 60.607 61.300 -0.017 0.000 1.104 1119 I CB 1.917 39.917 38.000 -0.001 0.000 1.264 1119 I HN 0.712 nan 8.210 nan 0.000 0.438 1120 A N 4.964 127.816 122.820 0.053 0.000 2.350 1120 A HA 0.577 4.897 4.320 -0.000 0.000 0.293 1120 A C 0.805 178.434 177.584 0.074 0.000 1.231 1120 A CA -0.059 52.029 52.037 0.084 0.000 0.883 1120 A CB 0.338 19.401 19.000 0.105 0.000 1.133 1120 A HN 0.899 nan 8.150 nan 0.000 0.533 1121 A N 2.829 125.700 122.820 0.085 0.000 2.390 1121 A HA 0.251 4.571 4.320 -0.000 0.000 0.232 1121 A C 0.741 178.385 177.584 0.100 0.000 1.233 1121 A CA -0.166 51.926 52.037 0.091 0.000 0.907 1121 A CB -0.135 18.924 19.000 0.098 0.000 0.967 1121 A HN 0.833 nan 8.150 nan 0.000 0.512 1122 E N 0.233 120.492 120.200 0.098 0.000 2.493 1122 E HA 0.264 4.614 4.350 -0.000 0.000 0.255 1122 E C 0.796 177.442 176.600 0.076 0.000 0.999 1122 E CA 0.600 57.059 56.400 0.099 0.000 0.934 1122 E CB -0.003 29.750 29.700 0.089 0.000 0.940 1122 E HN 0.955 nan 8.360 nan 0.000 0.473 1123 G N 2.850 111.701 108.800 0.086 0.000 2.141 1123 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.242 1123 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.242 1123 G C -0.051 174.903 174.900 0.090 0.000 0.982 1123 G CA 0.337 45.482 45.100 0.075 0.000 0.662 1123 G HN 0.494 nan 8.290 nan 0.000 0.527 1124 K N -0.409 120.055 120.400 0.108 0.000 2.352 1124 K HA 0.764 5.084 4.320 -0.000 0.000 0.240 1124 K C -0.111 176.582 176.600 0.155 0.000 1.017 1124 K CA -0.892 55.481 56.287 0.143 0.000 0.851 1124 K CB 2.000 34.586 32.500 0.144 0.000 1.261 1124 K HN 0.178 nan 8.250 nan 0.000 0.451 1125 I N 1.466 122.174 120.570 0.230 0.000 2.378 1125 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 1125 I C -0.512 175.834 176.117 0.381 0.000 0.992 1125 I CA -1.116 60.328 61.300 0.240 0.000 1.154 1125 I CB 1.897 40.008 38.000 0.184 0.000 1.315 1125 I HN 0.007 nan 8.210 nan 0.000 0.448 1126 V N 4.976 125.058 119.914 0.280 0.000 2.459 1126 V HA 0.595 4.715 4.120 -0.000 0.000 0.295 1126 V C 0.185 176.459 176.094 0.300 0.000 1.029 1126 V CA -0.318 62.151 62.300 0.283 0.000 0.874 1126 V CB 1.868 33.801 31.823 0.183 0.000 0.985 1126 V HN 0.911 nan 8.190 nan 0.000 0.438 1127 T N 1.650 116.431 114.554 0.378 0.000 2.865 1127 T HA 0.868 5.218 4.350 -0.000 0.000 0.294 1127 T C -0.161 174.713 174.700 0.290 0.000 1.119 1127 T CA -0.362 61.953 62.100 0.358 0.000 1.007 1127 T CB 1.944 71.146 68.868 0.556 0.000 1.225 1127 T HN 0.965 nan 8.240 nan 0.000 0.515 1128 A N 0.284 123.255 122.820 0.251 0.000 2.313 1128 A HA 0.730 5.050 4.320 -0.000 0.000 0.261 1128 A C 0.908 178.643 177.584 0.252 0.000 1.090 1128 A CA -0.188 51.981 52.037 0.219 0.000 0.807 1128 A CB -0.540 18.579 19.000 0.197 0.000 1.055 1128 A HN 1.379 nan 8.150 nan 0.000 0.492 1129 G N -0.327 108.597 108.800 0.207 0.000 2.432 1129 G HA2 0.482 4.442 3.960 -0.000 0.000 0.257 1129 G HA3 0.482 4.442 3.960 -0.000 0.000 0.257 1129 G C 0.535 175.588 174.900 0.255 0.000 1.238 1129 G CA 0.192 45.418 45.100 0.210 0.000 0.838 1129 G HN 1.129 nan 8.290 nan 0.000 0.547 1130 G N -0.435 108.552 108.800 0.311 0.000 2.614 1130 G HA2 0.429 4.389 3.960 -0.000 0.000 0.239 1130 G HA3 0.429 4.389 3.960 -0.000 0.000 0.239 1130 G C -0.272 174.770 174.900 0.236 0.000 1.240 1130 G CA -0.436 44.885 45.100 0.369 0.000 0.842 1130 G HN 0.643 nan 8.290 nan 0.000 0.584 1131 I N 0.980 121.685 120.570 0.225 0.000 2.503 1131 I HA 0.152 4.322 4.170 -0.000 0.000 0.282 1131 I C -1.217 174.979 176.117 0.131 0.000 1.059 1131 I CA -0.692 60.701 61.300 0.155 0.000 1.081 1131 I CB 2.055 40.132 38.000 0.128 0.000 1.210 1131 I HN 0.300 nan 8.210 nan 0.000 0.450 1132 D N 4.672 125.126 120.400 0.090 0.000 2.359 1132 D HA 0.177 4.817 4.640 -0.000 0.000 0.230 1132 D C 0.944 177.262 176.300 0.030 0.000 1.118 1132 D CA -0.130 53.901 54.000 0.052 0.000 0.844 1132 D CB 1.435 42.235 40.800 -0.001 0.000 1.059 1132 D HN 0.597 nan 8.370 nan 0.000 0.493 1133 T N 0.324 114.917 114.554 0.065 0.000 3.244 1133 T HA 0.099 4.449 4.350 -0.000 0.000 0.254 1133 T C 0.617 175.341 174.700 0.039 0.000 1.024 1133 T CA -0.109 62.012 62.100 0.035 0.000 0.920 1133 T CB -0.461 68.494 68.868 0.146 0.000 1.042 1133 T HN 0.501 nan 8.240 nan 0.000 0.572 1134 H N 0.532 119.488 119.070 -0.190 0.000 2.616 1134 H HA 0.429 4.985 4.556 -0.000 0.000 0.229 1134 H C -0.783 174.363 175.328 -0.303 0.000 1.418 1134 H CA -0.923 54.874 56.048 -0.418 0.000 1.248 1134 H CB -0.022 29.327 29.762 -0.688 0.000 1.822 1134 H HN 0.198 nan 8.280 nan 0.000 0.522 1135 I N 1.941 122.419 120.570 -0.153 0.000 2.396 1135 I HA 0.128 4.298 4.170 -0.000 0.000 0.292 1135 I C 0.305 176.179 176.117 -0.405 0.000 0.999 1135 I CA -0.247 60.831 61.300 -0.370 0.000 1.310 1135 I CB 1.103 38.646 38.000 -0.763 0.000 1.404 1135 I HN 0.534 nan 8.210 nan 0.000 0.496 1136 H N 5.474 124.349 119.070 -0.325 0.000 2.623 1136 H HA 0.141 4.697 4.556 -0.000 0.000 0.299 1136 H C -0.856 174.358 175.328 -0.191 0.000 1.052 1136 H CA -0.362 55.594 56.048 -0.153 0.000 1.231 1136 H CB 0.629 30.367 29.762 -0.041 0.000 1.389 1136 H HN 0.540 nan 8.280 nan 0.000 0.469 1137 W N 5.651 127.035 121.300 0.140 0.000 1.828 1137 W HA 0.139 4.799 4.660 -0.000 0.000 0.470 1137 W C 0.985 177.558 176.519 0.090 0.000 0.786 1137 W CA -0.285 57.117 57.345 0.095 0.000 1.816 1137 W CB -0.188 29.309 29.460 0.063 0.000 1.798 1137 W HN 0.633 nan 8.180 nan 0.000 0.252 1138 I N 1.487 122.221 120.570 0.273 0.000 2.585 1138 I HA -0.030 4.140 4.170 -0.000 0.000 0.254 1138 I C 1.007 177.236 176.117 0.187 0.000 1.129 1138 I CA 0.611 62.033 61.300 0.205 0.000 1.455 1138 I CB 0.051 38.161 38.000 0.182 0.000 1.111 1138 I HN 0.266 nan 8.210 nan 0.000 0.433 1139 C N -1.822 117.603 119.300 0.208 0.000 3.082 1139 C HA 0.417 4.877 4.460 -0.000 0.000 0.324 1139 C C -1.903 173.221 174.990 0.223 0.000 1.210 1139 C CA -1.465 57.657 59.018 0.172 0.000 1.366 1139 C CB 1.373 29.182 27.740 0.116 0.000 1.756 1139 C HN -0.016 nan 8.230 nan 0.000 0.485 1140 P HA -0.083 nan 4.420 nan 0.000 0.223 1140 P C 1.035 178.429 177.300 0.156 0.000 1.151 1140 P CA 1.525 64.723 63.100 0.163 0.000 0.787 1140 P CB 0.225 31.969 31.700 0.073 0.000 0.788 1141 Q N 0.076 119.946 119.800 0.117 0.000 2.439 1141 Q HA -0.123 4.217 4.340 -0.000 0.000 0.211 1141 Q C 2.337 178.393 176.000 0.093 0.000 0.978 1141 Q CA 1.184 57.039 55.803 0.087 0.000 0.897 1141 Q CB -0.802 27.971 28.738 0.059 0.000 0.956 1141 Q HN 0.456 nan 8.270 nan 0.000 0.483 1142 Q N -0.578 119.300 119.800 0.131 0.000 2.170 1142 Q HA -0.107 4.233 4.340 -0.000 0.000 0.203 1142 Q C 1.990 178.060 176.000 0.117 0.000 0.976 1142 Q CA 1.158 57.021 55.803 0.099 0.000 0.858 1142 Q CB -0.165 28.622 28.738 0.082 0.000 0.907 1142 Q HN 0.493 nan 8.270 nan 0.000 0.433 1143 A N 1.227 124.169 122.820 0.204 0.000 1.902 1143 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 1143 A C 1.902 179.546 177.584 0.100 0.000 1.181 1143 A CA 1.614 53.767 52.037 0.193 0.000 0.623 1143 A CB -0.456 18.680 19.000 0.227 0.000 0.818 1143 A HN 0.427 nan 8.150 nan 0.000 0.443 1144 E N -0.584 119.661 120.200 0.076 0.000 2.072 1144 E HA -0.238 4.112 4.350 -0.000 0.000 0.191 1144 E C 1.953 178.559 176.600 0.010 0.000 0.985 1144 E CA 1.343 57.767 56.400 0.041 0.000 0.801 1144 E CB -0.101 29.625 29.700 0.042 0.000 0.750 1144 E HN 0.561 nan 8.360 nan 0.000 0.452 1145 E N 0.349 120.557 120.200 0.014 0.000 2.051 1145 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 1145 E C 1.738 178.320 176.600 -0.030 0.000 0.991 1145 E CA 1.563 57.954 56.400 -0.014 0.000 0.799 1145 E CB -0.295 29.400 29.700 -0.008 0.000 0.748 1145 E HN 0.356 nan 8.360 nan 0.000 0.449 1146 A N 0.070 122.886 122.820 -0.007 0.000 1.930 1146 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 1146 A C 2.140 179.719 177.584 -0.009 0.000 1.175 1146 A CA 1.279 53.311 52.037 -0.008 0.000 0.627 1146 A CB -0.663 18.344 19.000 0.011 0.000 0.815 1146 A HN 0.353 nan 8.150 nan 0.000 0.443 1147 L N -0.037 121.186 121.223 -0.000 0.000 2.046 1147 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 1147 L C 2.342 179.165 176.870 -0.079 0.000 1.077 1147 L CA 1.737 56.571 54.840 -0.010 0.000 0.747 1147 L CB -0.474 41.594 42.059 0.014 0.000 0.896 1147 L HN 0.150 nan 8.230 nan 0.000 0.432 1148 V N -0.429 119.403 119.914 -0.137 0.000 2.490 1148 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 1148 V C 2.637 178.541 176.094 -0.317 0.000 1.061 1148 V CA 1.610 63.711 62.300 -0.332 0.000 1.064 1148 V CB -0.837 30.719 31.823 -0.445 0.000 0.670 1148 V HN 0.753 nan 8.190 nan 0.000 0.461 1149 S N -0.276 115.333 115.700 -0.151 0.000 2.489 1149 S HA 0.214 4.684 4.470 -0.000 0.000 0.228 1149 S C 1.573 176.184 174.600 0.018 0.000 0.995 1149 S CA 0.921 59.091 58.200 -0.049 0.000 0.934 1149 S CB 0.571 63.762 63.200 -0.015 0.000 0.771 1149 S HN 1.157 nan 8.310 nan 0.000 0.522 1150 G N -0.204 108.569 108.800 -0.046 0.000 2.159 1150 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.170 1150 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.170 1150 G C -0.189 174.766 174.900 0.093 0.000 1.007 1150 G CA -0.186 44.908 45.100 -0.010 0.000 0.672 1150 G HN 0.607 nan 8.290 nan 0.000 0.507 1151 V N 2.364 122.319 119.914 0.068 0.000 2.333 1151 V HA 0.490 4.609 4.120 -0.000 0.000 0.274 1151 V C 1.544 177.697 176.094 0.098 0.000 1.028 1151 V CA 0.660 63.021 62.300 0.102 0.000 0.851 1151 V CB 1.152 33.017 31.823 0.070 0.000 1.000 1151 V HN 0.566 nan 8.190 nan 0.000 0.456 1152 T N 0.228 114.856 114.554 0.124 0.000 3.065 1152 T HA 0.095 4.445 4.350 -0.000 0.000 0.252 1152 T C 0.688 175.479 174.700 0.152 0.000 1.099 1152 T CA 0.080 62.252 62.100 0.120 0.000 1.063 1152 T CB 0.117 69.053 68.868 0.114 0.000 0.948 1152 T HN 0.535 nan 8.240 nan 0.000 0.506 1153 T N 2.304 116.960 114.554 0.170 0.000 2.848 1153 T HA 0.680 5.030 4.350 -0.000 0.000 0.285 1153 T C -0.917 173.896 174.700 0.188 0.000 0.995 1153 T CA -0.604 61.623 62.100 0.212 0.000 0.970 1153 T CB 1.735 70.739 68.868 0.226 0.000 0.976 1153 T HN 0.185 nan 8.240 nan 0.000 0.441 1154 M N 3.159 122.905 119.600 0.243 0.000 2.204 1154 M HA 0.543 5.023 4.480 -0.000 0.000 0.293 1154 M C -1.187 175.279 176.300 0.275 0.000 0.994 1154 M CA -0.826 54.602 55.300 0.213 0.000 0.925 1154 M CB 2.202 34.957 32.600 0.258 0.000 1.577 1154 M HN 0.245 nan 8.290 nan 0.000 0.439 1155 V N 2.293 122.275 119.914 0.113 0.000 2.555 1155 V HA 1.024 5.144 4.120 -0.000 0.000 0.302 1155 V C 0.256 176.361 176.094 0.018 0.000 1.038 1155 V CA -0.190 62.165 62.300 0.092 0.000 0.887 1155 V CB 1.770 33.532 31.823 -0.102 0.000 0.991 1155 V HN 1.077 nan 8.190 nan 0.000 0.434 1156 G N 2.630 111.500 108.800 0.116 0.000 2.360 1156 G HA2 0.639 4.599 3.960 -0.000 0.000 0.276 1156 G HA3 0.639 4.599 3.960 -0.000 0.000 0.276 1156 G C -0.567 174.452 174.900 0.198 0.000 1.256 1156 G CA 0.207 45.320 45.100 0.021 0.000 0.890 1156 G HN 1.205 nan 8.290 nan 0.000 0.486 1157 G N -2.121 106.765 108.800 0.144 0.000 2.684 1157 G HA2 0.982 4.942 3.960 -0.000 0.000 0.290 1157 G HA3 0.982 4.942 3.960 -0.000 0.000 0.290 1157 G C -0.233 174.854 174.900 0.311 0.000 1.425 1157 G CA 0.507 45.790 45.100 0.306 0.000 0.822 1157 G HN 2.380 nan 8.290 nan 0.000 0.482 1158 G N -1.956 107.024 108.800 0.299 0.000 2.345 1158 G HA2 0.507 4.467 3.960 -0.000 0.000 0.310 1158 G HA3 0.507 4.467 3.960 -0.000 0.000 0.310 1158 G C 0.172 175.159 174.900 0.145 0.000 1.476 1158 G CA 0.854 46.090 45.100 0.227 0.000 0.978 1158 G HN 1.776 nan 8.290 nan 0.000 0.656 1159 T N -2.524 112.040 114.554 0.015 0.000 3.043 1159 T HA 0.639 4.989 4.350 -0.000 0.000 0.272 1159 T C 1.327 176.029 174.700 0.002 0.000 0.990 1159 T CA 1.242 63.291 62.100 -0.085 0.000 0.897 1159 T CB 0.560 69.102 68.868 -0.543 0.000 1.111 1159 T HN 2.707 nan 8.240 nan 0.000 0.529 1160 G N 2.322 111.154 108.800 0.053 0.000 2.293 1160 G HA2 0.174 4.134 3.960 -0.000 0.000 0.282 1160 G HA3 0.174 4.134 3.960 -0.000 0.000 0.282 1160 G C -3.018 171.887 174.900 0.008 0.000 1.299 1160 G CA -0.497 44.644 45.100 0.069 0.000 1.018 1160 G HN 0.072 nan 8.290 nan 0.000 0.478 1161 P HA 0.502 nan 4.420 nan 0.000 0.237 1161 P C -0.157 176.992 177.300 -0.251 0.000 1.788 1161 P CA 0.949 64.028 63.100 -0.036 0.000 1.061 1161 P CB 0.278 32.068 31.700 0.150 0.000 1.967 1162 A N 1.776 124.317 122.820 -0.465 0.000 2.380 1162 A HA 0.666 4.986 4.320 -0.000 0.000 0.315 1162 A C 1.462 178.750 177.584 -0.493 0.000 1.101 1162 A CA -0.227 51.604 52.037 -0.343 0.000 0.771 1162 A CB 1.293 20.193 19.000 -0.167 0.000 1.287 1162 A HN 0.227 nan 8.150 nan 0.000 0.436 1163 A N 1.162 123.840 122.820 -0.236 0.000 1.903 1163 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 1163 A C 2.186 179.762 177.584 -0.014 0.000 1.191 1163 A CA 2.864 54.805 52.037 -0.159 0.000 0.638 1163 A CB -1.355 17.407 19.000 -0.396 0.000 0.823 1163 A HN 1.707 nan 8.150 nan 0.000 0.451 1164 G N -1.489 107.293 108.800 -0.029 0.000 2.446 1164 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 1164 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 1164 G C 1.574 176.561 174.900 0.145 0.000 1.168 1164 G CA 1.701 46.857 45.100 0.095 0.000 0.771 1164 G HN 0.460 nan 8.290 nan 0.000 0.551 1165 T N 0.110 114.714 114.554 0.083 0.000 2.904 1165 T HA -0.036 4.314 4.350 -0.000 0.000 0.267 1165 T C 2.120 176.966 174.700 0.244 0.000 1.059 1165 T CA 1.132 63.325 62.100 0.155 0.000 1.137 1165 T CB -0.291 68.618 68.868 0.068 0.000 0.879 1165 T HN 0.297 nan 8.240 nan 0.000 0.467 1166 H N 1.323 120.468 119.070 0.126 0.000 2.352 1166 H HA 0.082 4.638 4.556 -0.000 0.000 0.299 1166 H C 2.479 177.719 175.328 -0.147 0.000 1.097 1166 H CA 1.421 57.460 56.048 -0.015 0.000 1.311 1166 H CB -0.617 29.175 29.762 0.049 0.000 1.377 1166 H HN 0.430 nan 8.280 nan 0.000 0.504 1167 A N 0.198 123.086 122.820 0.113 0.000 1.911 1167 A HA 0.050 4.370 4.320 -0.000 0.000 0.212 1167 A C 1.429 179.100 177.584 0.145 0.000 1.189 1167 A CA 1.168 53.207 52.037 0.003 0.000 0.639 1167 A CB -0.147 18.854 19.000 0.002 0.000 0.839 1167 A HN 0.484 nan 8.150 nan 0.000 0.449 1168 T N -2.813 111.829 114.554 0.147 0.000 2.924 1168 T HA 0.478 4.827 4.350 -0.000 0.000 0.291 1168 T C -0.201 174.595 174.700 0.160 0.000 1.045 1168 T CA 0.167 62.342 62.100 0.126 0.000 1.015 1168 T CB 1.411 70.231 68.868 -0.081 0.000 1.103 1168 T HN 0.274 nan 8.240 nan 0.000 0.496 1169 T N 0.139 114.696 114.554 0.005 0.000 3.855 1169 T HA 0.507 4.857 4.350 -0.000 0.000 0.306 1169 T C -0.087 174.666 174.700 0.090 0.000 1.575 1169 T CA -0.725 61.294 62.100 -0.136 0.000 1.214 1169 T CB -1.815 66.984 68.868 -0.115 0.000 1.262 1169 T HN 0.729 nan 8.240 nan 0.000 0.883 1170 C N 1.749 121.137 119.300 0.147 0.000 2.535 1170 C HA 0.603 5.063 4.460 -0.000 0.000 0.319 1170 C C 0.465 175.517 174.990 0.103 0.000 1.171 1170 C CA -0.901 58.194 59.018 0.130 0.000 1.394 1170 C CB 1.342 29.160 27.740 0.132 0.000 1.990 1170 C HN 0.682 nan 8.230 nan 0.000 0.466 1171 T N 4.361 118.967 114.554 0.086 0.000 2.929 1171 T HA 0.302 4.652 4.350 -0.000 0.000 0.331 1171 T C -2.671 172.063 174.700 0.057 0.000 1.120 1171 T CA -0.756 61.393 62.100 0.082 0.000 0.973 1171 T CB 0.221 69.159 68.868 0.116 0.000 1.036 1171 T HN 0.425 nan 8.240 nan 0.000 0.502 1172 P HA 0.341 nan 4.420 nan 0.000 0.270 1172 P C 0.778 178.154 177.300 0.127 0.000 1.242 1172 P CA 0.710 63.811 63.100 0.002 0.000 0.768 1172 P CB 0.188 31.854 31.700 -0.057 0.000 0.820 1173 G N 5.471 114.311 108.800 0.065 0.000 2.880 1173 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.617 1173 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.617 1173 G C -1.934 173.043 174.900 0.128 0.000 1.493 1173 G CA -0.744 44.410 45.100 0.091 0.000 0.916 1173 G HN 0.265 nan 8.290 nan 0.000 0.553 1174 P HA -0.158 nan 4.420 nan 0.000 0.215 1174 P C 1.666 179.030 177.300 0.106 0.000 1.163 1174 P CA 2.334 65.485 63.100 0.086 0.000 0.894 1174 P CB -0.033 31.713 31.700 0.076 0.000 0.791 1175 W N -1.120 120.151 121.300 -0.048 0.000 2.354 1175 W HA -0.182 4.478 4.660 -0.000 0.000 0.315 1175 W C 2.356 178.803 176.519 -0.121 0.000 1.206 1175 W CA 1.479 58.752 57.345 -0.120 0.000 1.290 1175 W CB -1.141 28.191 29.460 -0.213 0.000 1.152 1175 W HN -0.060 nan 8.180 nan 0.000 0.489 1176 Y N -0.208 120.248 120.300 0.261 0.000 2.293 1176 Y HA -0.210 4.340 4.550 -0.000 0.000 0.291 1176 Y C 2.326 178.207 175.900 -0.032 0.000 1.137 1176 Y CA 1.434 59.600 58.100 0.110 0.000 1.202 1176 Y CB -0.347 38.222 38.460 0.182 0.000 0.990 1176 Y HN -0.085 nan 8.280 nan 0.000 0.537 1177 I N -1.144 119.502 120.570 0.128 0.000 2.163 1177 I HA -0.323 3.847 4.170 -0.000 0.000 0.240 1177 I C 2.339 178.428 176.117 -0.047 0.000 1.081 1177 I CA 1.316 62.643 61.300 0.045 0.000 1.353 1177 I CB -0.512 37.517 38.000 0.047 0.000 1.054 1177 I HN 0.037 nan 8.210 nan 0.000 0.407 1178 S N 0.350 115.987 115.700 -0.105 0.000 2.387 1178 S HA -0.232 4.238 4.470 -0.000 0.000 0.230 1178 S C 2.076 176.529 174.600 -0.245 0.000 1.035 1178 S CA 1.431 59.526 58.200 -0.174 0.000 1.014 1178 S CB -0.301 62.769 63.200 -0.218 0.000 0.836 1178 S HN 0.268 nan 8.310 nan 0.000 0.466 1179 R N 0.778 121.072 120.500 -0.344 0.000 2.075 1179 R HA 0.159 4.499 4.340 -0.000 0.000 0.232 1179 R C 2.288 178.471 176.300 -0.194 0.000 1.126 1179 R CA 1.195 57.082 56.100 -0.355 0.000 0.963 1179 R CB -0.358 29.635 30.300 -0.512 0.000 0.858 1179 R HN 0.295 nan 8.270 nan 0.000 0.435 1180 M N -0.171 119.353 119.600 -0.127 0.000 2.200 1180 M HA -0.048 4.431 4.480 -0.000 0.000 0.265 1180 M C 2.093 178.291 176.300 -0.171 0.000 1.066 1180 M CA 1.347 56.561 55.300 -0.144 0.000 1.127 1180 M CB -0.720 31.813 32.600 -0.111 0.000 1.379 1180 M HN 0.156 nan 8.290 nan 0.000 0.420 1181 L N -0.386 120.758 121.223 -0.132 0.000 2.083 1181 L HA -0.249 4.090 4.340 -0.000 0.000 0.209 1181 L C 2.535 179.325 176.870 -0.134 0.000 1.083 1181 L CA 1.236 56.005 54.840 -0.118 0.000 0.752 1181 L CB -0.473 41.534 42.059 -0.087 0.000 0.899 1181 L HN 0.416 nan 8.230 nan 0.000 0.433 1182 Q N -0.558 119.154 119.800 -0.146 0.000 2.083 1182 Q HA -0.133 4.207 4.340 -0.000 0.000 0.198 1182 Q C 2.401 178.323 176.000 -0.129 0.000 0.969 1182 Q CA 1.432 57.151 55.803 -0.140 0.000 0.838 1182 Q CB -0.193 28.455 28.738 -0.151 0.000 0.900 1182 Q HN 0.532 nan 8.270 nan 0.000 0.436 1183 A N 1.050 123.785 122.820 -0.140 0.000 2.015 1183 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 1183 A C 2.246 179.741 177.584 -0.148 0.000 1.163 1183 A CA 1.299 53.258 52.037 -0.130 0.000 0.646 1183 A CB -0.575 18.341 19.000 -0.139 0.000 0.806 1183 A HN 0.381 nan 8.150 nan 0.000 0.448 1184 A N 0.054 122.763 122.820 -0.184 0.000 1.978 1184 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 1184 A C 1.703 179.228 177.584 -0.098 0.000 1.170 1184 A CA 1.778 53.700 52.037 -0.192 0.000 0.636 1184 A CB -0.508 18.378 19.000 -0.190 0.000 0.810 1184 A HN 0.437 nan 8.150 nan 0.000 0.448 1185 D N -0.038 120.318 120.400 -0.073 0.000 2.221 1185 D HA -0.069 4.571 4.640 -0.000 0.000 0.204 1185 D C 1.805 178.176 176.300 0.120 0.000 0.982 1185 D CA 1.408 55.410 54.000 0.003 0.000 0.857 1185 D CB -0.133 40.608 40.800 -0.099 0.000 0.934 1185 D HN 0.397 nan 8.370 nan 0.000 0.475 1186 S N -0.385 115.340 115.700 0.043 0.000 2.603 1186 S HA 0.088 4.558 4.470 -0.000 0.000 0.220 1186 S C 0.929 175.537 174.600 0.013 0.000 0.967 1186 S CA 0.003 58.227 58.200 0.040 0.000 0.920 1186 S CB 0.404 63.609 63.200 0.008 0.000 0.773 1186 S HN 0.188 nan 8.310 nan 0.000 0.529 1187 L N 2.814 124.037 121.223 -0.000 0.000 2.295 1187 L HA 0.335 4.675 4.340 -0.000 0.000 0.285 1187 L C -1.788 175.101 176.870 0.031 0.000 1.035 1187 L CA -2.189 52.655 54.840 0.007 0.000 0.806 1187 L CB 1.232 43.274 42.059 -0.028 0.000 1.214 1187 L HN -0.148 nan 8.230 nan 0.000 0.426 1188 P HA -0.019 nan 4.420 nan 0.000 0.258 1188 P C -0.248 177.090 177.300 0.063 0.000 1.319 1188 P CA 0.403 63.529 63.100 0.043 0.000 0.785 1188 P CB -0.084 31.636 31.700 0.034 0.000 1.252 1189 V N -3.693 116.271 119.914 0.084 0.000 2.914 1189 V HA 0.538 4.658 4.120 -0.000 0.000 0.314 1189 V C -0.251 175.911 176.094 0.114 0.000 1.084 1189 V CA -1.443 60.927 62.300 0.115 0.000 0.963 1189 V CB 1.758 33.683 31.823 0.169 0.000 1.025 1189 V HN -0.200 nan 8.190 nan 0.000 0.432 1190 N N 2.250 121.031 118.700 0.135 0.000 2.513 1190 N HA 0.526 5.266 4.740 -0.000 0.000 0.268 1190 N C -0.682 174.975 175.510 0.246 0.000 1.180 1190 N CA 0.221 53.345 53.050 0.123 0.000 0.948 1190 N CB 1.259 39.876 38.487 0.218 0.000 1.083 1190 N HN 0.721 nan 8.380 nan 0.000 0.455 1191 I N -0.149 120.538 120.570 0.195 0.000 2.785 1191 I HA 0.545 4.715 4.170 -0.000 0.000 0.302 1191 I C 0.406 176.755 176.117 0.386 0.000 1.069 1191 I CA -0.927 60.549 61.300 0.293 0.000 1.045 1191 I CB 2.475 40.552 38.000 0.129 0.000 1.236 1191 I HN 0.419 nan 8.210 nan 0.000 0.429 1192 G N 5.184 114.214 108.800 0.384 0.000 2.740 1192 G HA2 0.670 4.630 3.960 -0.000 0.000 0.296 1192 G HA3 0.670 4.630 3.960 -0.000 0.000 0.296 1192 G C -1.386 173.670 174.900 0.259 0.000 1.439 1192 G CA -0.447 44.847 45.100 0.324 0.000 1.066 1192 G HN 0.368 nan 8.290 nan 0.000 0.527 1193 L N 1.439 122.783 121.223 0.201 0.000 2.344 1193 L HA 0.615 4.955 4.340 -0.000 0.000 0.272 1193 L C -0.161 176.800 176.870 0.152 0.000 1.035 1193 L CA -0.922 54.035 54.840 0.195 0.000 0.807 1193 L CB 1.836 43.976 42.059 0.134 0.000 1.237 1193 L HN 0.211 nan 8.230 nan 0.000 0.442 1194 L N 1.092 122.406 121.223 0.152 0.000 2.346 1194 L HA 0.632 4.972 4.340 -0.000 0.000 0.276 1194 L C 0.393 177.318 176.870 0.091 0.000 1.006 1194 L CA -0.469 54.438 54.840 0.112 0.000 0.817 1194 L CB 1.860 43.984 42.059 0.108 0.000 1.272 1194 L HN 0.665 nan 8.230 nan 0.000 0.421 1195 G N 1.107 109.942 108.800 0.058 0.000 2.531 1195 G HA2 0.298 4.258 3.960 -0.000 0.000 0.313 1195 G HA3 0.298 4.258 3.960 -0.000 0.000 0.313 1195 G C -0.961 173.934 174.900 -0.009 0.000 1.238 1195 G CA -0.582 44.534 45.100 0.027 0.000 0.994 1195 G HN 0.538 nan 8.290 nan 0.000 0.493 1196 K N 0.069 120.422 120.400 -0.078 0.000 2.310 1196 K HA 0.281 4.600 4.320 -0.000 0.000 0.290 1196 K C 1.013 177.536 176.600 -0.128 0.000 1.077 1196 K CA -0.020 56.161 56.287 -0.176 0.000 0.922 1196 K CB 0.422 32.667 32.500 -0.425 0.000 1.057 1196 K HN 0.442 nan 8.250 nan 0.000 0.479 1197 G N 3.589 112.348 108.800 -0.068 0.000 3.042 1197 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.212 1197 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.212 1197 G C -0.136 174.742 174.900 -0.036 0.000 1.166 1197 G CA -0.373 44.701 45.100 -0.044 0.000 0.767 1197 G HN 0.640 nan 8.290 nan 0.000 0.546 1198 N N 0.876 119.546 118.700 -0.049 0.000 2.739 1198 N HA 0.416 5.156 4.740 -0.000 0.000 0.266 1198 N C -0.943 174.550 175.510 -0.028 0.000 1.168 1198 N CA 0.152 53.200 53.050 -0.002 0.000 1.055 1198 N CB 1.258 39.797 38.487 0.087 0.000 1.393 1198 N HN 0.020 nan 8.380 nan 0.000 0.514 1199 V N -0.746 119.155 119.914 -0.022 0.000 3.147 1199 V HA 0.305 4.425 4.120 -0.000 0.000 0.299 1199 V C 0.211 176.297 176.094 -0.013 0.000 1.302 1199 V CA -0.939 61.347 62.300 -0.023 0.000 1.015 1199 V CB 2.096 33.895 31.823 -0.039 0.000 1.086 1199 V HN 0.261 nan 8.190 nan 0.000 0.437 1200 S N 0.984 116.679 115.700 -0.009 0.000 2.582 1200 S HA 0.182 4.652 4.470 -0.000 0.000 0.234 1200 S C 0.136 174.731 174.600 -0.009 0.000 0.961 1200 S CA -0.012 58.183 58.200 -0.007 0.000 0.953 1200 S CB -0.081 63.117 63.200 -0.004 0.000 0.800 1200 S HN 0.809 nan 8.310 nan 0.000 0.471 1201 Q N 1.429 121.221 119.800 -0.012 0.000 2.320 1201 Q HA 0.426 4.766 4.340 -0.000 0.000 0.268 1201 Q C -2.545 173.447 176.000 -0.014 0.000 1.023 1201 Q CA -1.980 53.816 55.803 -0.012 0.000 0.744 1201 Q CB 1.617 30.348 28.738 -0.012 0.000 1.246 1201 Q HN -0.113 nan 8.270 nan 0.000 0.462 1202 P HA -0.150 nan 4.420 nan 0.000 0.216 1202 P C 0.148 177.441 177.300 -0.011 0.000 1.150 1202 P CA 1.200 64.293 63.100 -0.012 0.000 0.843 1202 P CB 0.374 32.069 31.700 -0.010 0.000 0.787 1203 D N -0.658 119.736 120.400 -0.010 0.000 2.178 1203 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 1203 D C 1.919 178.213 176.300 -0.010 0.000 0.980 1203 D CA 1.432 55.427 54.000 -0.008 0.000 0.842 1203 D CB -0.526 40.270 40.800 -0.007 0.000 0.948 1203 D HN 0.112 nan 8.370 nan 0.000 0.472 1204 A N 0.293 123.104 122.820 -0.014 0.000 2.067 1204 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 1204 A C 2.308 179.879 177.584 -0.021 0.000 1.158 1204 A CA 0.662 52.687 52.037 -0.019 0.000 0.661 1204 A CB -0.368 18.616 19.000 -0.028 0.000 0.801 1204 A HN 0.193 nan 8.150 nan 0.000 0.452 1205 L N -1.631 119.580 121.223 -0.019 0.000 2.168 1205 L HA -0.017 4.323 4.340 -0.000 0.000 0.203 1205 L C 2.726 179.591 176.870 -0.008 0.000 1.078 1205 L CA 0.618 55.448 54.840 -0.017 0.000 0.780 1205 L CB -0.446 41.602 42.059 -0.018 0.000 0.939 1205 L HN 0.296 nan 8.230 nan 0.000 0.451 1206 R N 0.493 120.989 120.500 -0.006 0.000 2.105 1206 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 1206 R C 2.081 178.383 176.300 0.003 0.000 1.135 1206 R CA 1.467 57.566 56.100 -0.001 0.000 0.967 1206 R CB -0.317 29.982 30.300 -0.002 0.000 0.861 1206 R HN 0.457 nan 8.270 nan 0.000 0.442 1207 E N 0.775 120.976 120.200 0.002 0.000 2.085 1207 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 1207 E C 2.141 178.748 176.600 0.012 0.000 0.994 1207 E CA 1.200 57.604 56.400 0.007 0.000 0.801 1207 E CB -0.045 29.659 29.700 0.006 0.000 0.743 1207 E HN 0.450 nan 8.360 nan 0.000 0.453 1208 Q N 0.314 120.120 119.800 0.010 0.000 2.079 1208 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 1208 Q C 2.426 178.439 176.000 0.021 0.000 0.974 1208 Q CA 1.345 57.158 55.803 0.016 0.000 0.840 1208 Q CB 0.009 28.752 28.738 0.008 0.000 0.898 1208 Q HN 0.165 nan 8.270 nan 0.000 0.430 1209 V N 0.939 120.864 119.914 0.018 0.000 2.427 1209 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 1209 V C 2.215 178.322 176.094 0.023 0.000 1.051 1209 V CA 1.736 64.050 62.300 0.023 0.000 1.048 1209 V CB -0.914 30.920 31.823 0.018 0.000 0.666 1209 V HN 0.363 nan 8.190 nan 0.000 0.456 1210 A N -0.115 122.715 122.820 0.016 0.000 2.067 1210 A HA 0.088 4.408 4.320 -0.000 0.000 0.219 1210 A C 2.290 179.882 177.584 0.013 0.000 1.158 1210 A CA 1.563 53.608 52.037 0.014 0.000 0.661 1210 A CB -0.458 18.548 19.000 0.009 0.000 0.801 1210 A HN 0.553 nan 8.150 nan 0.000 0.452 1211 A N -2.015 120.814 122.820 0.016 0.000 2.123 1211 A HA 0.412 4.732 4.320 -0.000 0.000 0.214 1211 A C 1.685 179.277 177.584 0.012 0.000 1.152 1211 A CA 1.536 53.580 52.037 0.013 0.000 0.728 1211 A CB -0.351 18.660 19.000 0.019 0.000 0.814 1211 A HN 1.598 nan 8.150 nan 0.000 0.464 1212 G N -1.649 107.166 108.800 0.024 0.000 2.559 1212 G HA2 0.035 3.995 3.960 -0.000 0.000 0.202 1212 G HA3 0.035 3.995 3.960 -0.000 0.000 0.202 1212 G C 0.248 175.180 174.900 0.054 0.000 0.992 1212 G CA 0.004 45.123 45.100 0.032 0.000 0.764 1212 G HN 1.360 nan 8.290 nan 0.000 0.525 1213 V N 0.776 120.724 119.914 0.056 0.000 2.775 1213 V HA 0.653 4.773 4.120 -0.000 0.000 0.299 1213 V C 1.668 177.813 176.094 0.086 0.000 1.062 1213 V CA -0.012 62.333 62.300 0.075 0.000 1.063 1213 V CB 1.226 33.089 31.823 0.067 0.000 0.994 1213 V HN 0.781 nan 8.190 nan 0.000 0.483 1214 I N 0.339 120.976 120.570 0.111 0.000 3.875 1214 I HA 0.746 4.916 4.170 -0.000 0.000 0.329 1214 I C 0.655 176.848 176.117 0.127 0.000 1.295 1214 I CA 0.374 61.746 61.300 0.121 0.000 1.129 1214 I CB -0.236 37.852 38.000 0.146 0.000 1.008 1214 I HN 0.881 nan 8.210 nan 0.000 0.413 1215 G N 0.790 109.656 108.800 0.110 0.000 2.506 1215 G HA2 0.612 4.572 3.960 -0.000 0.000 0.292 1215 G HA3 0.612 4.572 3.960 -0.000 0.000 0.292 1215 G C -1.664 173.274 174.900 0.063 0.000 1.425 1215 G CA -0.696 44.466 45.100 0.104 0.000 0.788 1215 G HN 0.084 nan 8.290 nan 0.000 0.490 1219 H N 5.367 124.523 119.070 0.144 0.000 2.637 1219 H HA 0.389 4.945 4.556 -0.000 0.000 0.363 1219 H C 0.526 175.856 175.328 0.003 0.000 1.131 1219 H CA -0.356 55.743 56.048 0.086 0.000 1.183 1219 H CB 2.434 32.305 29.762 0.180 0.000 1.637 1219 H HN 0.847 nan 8.280 nan 0.000 0.531 1220 E N 2.114 122.208 120.200 -0.177 0.000 2.204 1220 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 1220 E C 0.107 176.710 176.600 0.004 0.000 0.990 1220 E CA 1.380 57.729 56.400 -0.085 0.000 0.821 1220 E CB 0.195 29.786 29.700 -0.183 0.000 0.750 1220 E HN 0.452 nan 8.360 nan 0.000 0.477 1221 D N 0.314 120.790 120.400 0.126 0.000 2.264 1221 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 1221 D C 0.506 176.698 176.300 -0.179 0.000 0.966 1221 D CA 0.906 54.835 54.000 -0.118 0.000 0.864 1221 D CB -0.213 40.398 40.800 -0.315 0.000 0.933 1221 D HN 0.482 nan 8.370 nan 0.000 0.499 1222 W N 0.430 121.768 121.300 0.063 0.000 3.239 1222 W HA 0.400 5.060 4.660 -0.000 0.000 0.368 1222 W C 0.633 177.161 176.519 0.016 0.000 1.154 1222 W CA -0.159 57.204 57.345 0.030 0.000 1.860 1222 W CB 0.674 30.154 29.460 0.033 0.000 1.094 1222 W HN -0.084 nan 8.180 nan 0.000 0.643 1223 G N 1.513 110.420 108.800 0.179 0.000 2.858 1223 G HA2 0.026 3.986 3.960 -0.000 0.000 0.266 1223 G HA3 0.026 3.986 3.960 -0.000 0.000 0.266 1223 G C -0.149 174.798 174.900 0.079 0.000 1.023 1223 G CA -0.507 44.649 45.100 0.093 0.000 1.172 1223 G HN 0.449 nan 8.290 nan 0.000 0.523 1224 A N 2.425 125.269 122.820 0.041 0.000 3.091 1224 A HA 0.677 4.997 4.320 -0.000 0.000 0.264 1224 A C 1.257 178.851 177.584 0.016 0.000 1.673 1224 A CA 0.830 52.885 52.037 0.031 0.000 1.362 1224 A CB -0.470 18.539 19.000 0.014 0.000 1.137 1224 A HN 1.996 nan 8.150 nan 0.000 0.617 1225 T N -2.075 112.489 114.554 0.018 0.000 2.899 1225 T HA 0.426 4.776 4.350 -0.000 0.000 0.284 1225 T C -1.892 172.816 174.700 0.013 0.000 1.004 1225 T CA -1.659 60.447 62.100 0.010 0.000 1.043 1225 T CB 1.043 69.914 68.868 0.005 0.000 1.013 1225 T HN 0.104 nan 8.240 nan 0.000 0.518 1226 P HA 0.005 nan 4.420 nan 0.000 0.219 1226 P C 1.494 178.794 177.300 -0.001 0.000 1.146 1226 P CA 1.100 64.203 63.100 0.004 0.000 0.808 1226 P CB -0.194 31.504 31.700 -0.002 0.000 0.779 1227 A N 0.001 122.821 122.820 -0.001 0.000 1.872 1227 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 1227 A C 2.299 179.882 177.584 -0.002 0.000 1.187 1227 A CA 1.822 53.858 52.037 -0.003 0.000 0.614 1227 A CB -1.532 17.467 19.000 -0.003 0.000 0.826 1227 A HN 0.178 nan 8.150 nan 0.000 0.442 1228 A N 0.058 122.880 122.820 0.004 0.000 1.877 1228 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 1228 A C 2.134 179.718 177.584 -0.000 0.000 1.186 1228 A CA 1.537 53.577 52.037 0.006 0.000 0.620 1228 A CB -0.660 18.352 19.000 0.020 0.000 0.822 1228 A HN 0.479 nan 8.150 nan 0.000 0.443 1229 I N -0.185 120.386 120.570 0.001 0.000 2.127 1229 I HA -0.292 3.878 4.170 -0.000 0.000 0.241 1229 I C 2.380 178.488 176.117 -0.016 0.000 1.075 1229 I CA 2.045 63.340 61.300 -0.008 0.000 1.334 1229 I CB -0.420 37.577 38.000 -0.005 0.000 1.040 1229 I HN 0.422 nan 8.210 nan 0.000 0.405 1230 D N 0.053 120.445 120.400 -0.013 0.000 2.149 1230 D HA -0.238 4.402 4.640 -0.000 0.000 0.198 1230 D C 2.266 178.557 176.300 -0.016 0.000 0.990 1230 D CA 1.263 55.254 54.000 -0.016 0.000 0.839 1230 D CB -0.207 40.585 40.800 -0.013 0.000 0.948 1230 D HN 0.406 nan 8.370 nan 0.000 0.460 1231 C N -0.107 119.185 119.300 -0.013 0.000 2.432 1231 C HA 0.089 4.549 4.460 -0.000 0.000 0.277 1231 C C 2.902 177.882 174.990 -0.016 0.000 1.249 1231 C CA 1.469 60.479 59.018 -0.013 0.000 1.725 1231 C CB -1.448 26.285 27.740 -0.012 0.000 2.028 1231 C HN 0.450 nan 8.230 nan 0.000 0.477 1232 A N 0.110 122.919 122.820 -0.018 0.000 1.902 1232 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 1232 A C 2.173 179.743 177.584 -0.025 0.000 1.181 1232 A CA 1.748 53.772 52.037 -0.022 0.000 0.623 1232 A CB -0.735 18.250 19.000 -0.025 0.000 0.818 1232 A HN 0.675 nan 8.150 nan 0.000 0.443 1233 L N -0.794 120.413 121.223 -0.027 0.000 2.131 1233 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 1233 L C 2.718 179.573 176.870 -0.025 0.000 1.092 1233 L CA 1.595 56.416 54.840 -0.030 0.000 0.759 1233 L CB -0.757 41.282 42.059 -0.033 0.000 0.903 1233 L HN 0.361 nan 8.230 nan 0.000 0.435 1234 T N -0.598 113.943 114.554 -0.020 0.000 2.737 1234 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 1234 T C 1.974 176.665 174.700 -0.015 0.000 1.038 1234 T CA 1.289 63.379 62.100 -0.017 0.000 1.144 1234 T CB -0.089 68.770 68.868 -0.014 0.000 0.866 1234 T HN 0.069 nan 8.240 nan 0.000 0.434 1235 V N 1.671 121.576 119.914 -0.014 0.000 2.427 1235 V HA -0.096 4.024 4.120 -0.000 0.000 0.248 1235 V C 2.843 178.930 176.094 -0.011 0.000 1.051 1235 V CA 1.446 63.739 62.300 -0.011 0.000 1.048 1235 V CB -1.198 30.619 31.823 -0.010 0.000 0.666 1235 V HN 0.497 nan 8.190 nan 0.000 0.456 1236 A N 0.097 122.908 122.820 -0.016 0.000 1.877 1236 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 1236 A C 2.011 179.584 177.584 -0.018 0.000 1.186 1236 A CA 2.131 54.157 52.037 -0.018 0.000 0.620 1236 A CB -0.717 18.266 19.000 -0.028 0.000 0.822 1236 A HN 0.495 nan 8.150 nan 0.000 0.443 1237 D N -0.316 120.071 120.400 -0.020 0.000 2.182 1237 D HA -0.158 4.482 4.640 -0.000 0.000 0.201 1237 D C 1.929 178.220 176.300 -0.015 0.000 0.986 1237 D CA 1.600 55.589 54.000 -0.020 0.000 0.847 1237 D CB -0.210 40.578 40.800 -0.020 0.000 0.942 1237 D HN 0.888 nan 8.370 nan 0.000 0.467 1238 E N -0.928 119.265 120.200 -0.012 0.000 2.474 1238 E HA 0.054 4.404 4.350 -0.000 0.000 0.194 1238 E C 1.344 177.941 176.600 -0.006 0.000 1.041 1238 E CA 0.174 56.569 56.400 -0.009 0.000 0.874 1238 E CB 0.123 29.818 29.700 -0.008 0.000 0.914 1238 E HN 0.207 nan 8.360 nan 0.000 0.498 1239 M N 0.643 120.240 119.600 -0.005 0.000 2.300 1239 M HA 0.154 4.634 4.480 -0.000 0.000 0.313 1239 M C -0.391 175.911 176.300 0.003 0.000 0.988 1239 M CA -0.191 55.109 55.300 0.001 0.000 1.012 1239 M CB 0.721 33.324 32.600 0.005 0.000 1.586 1239 M HN -0.121 nan 8.290 nan 0.000 0.562 1240 D N 3.095 123.492 120.400 -0.004 0.000 2.746 1240 D HA -0.146 4.494 4.640 -0.000 0.000 0.241 1240 D C -1.088 175.214 176.300 0.005 0.000 1.140 1240 D CA 0.659 54.655 54.000 -0.005 0.000 0.707 1240 D CB -0.753 40.043 40.800 -0.006 0.000 1.034 1240 D HN 0.518 nan 8.370 nan 0.000 0.423 1241 I N -2.326 118.246 120.570 0.003 0.000 2.892 1241 I HA 0.703 4.873 4.170 -0.000 0.000 0.306 1241 I C -0.010 176.103 176.117 -0.008 0.000 1.078 1241 I CA -1.142 60.169 61.300 0.017 0.000 1.032 1241 I CB 1.560 39.578 38.000 0.030 0.000 1.229 1241 I HN -0.134 nan 8.210 nan 0.000 0.435 1242 Q N 1.798 121.598 119.800 -0.001 0.000 2.214 1242 Q HA 0.717 5.057 4.340 -0.000 0.000 0.251 1242 Q C -1.463 174.509 176.000 -0.046 0.000 0.936 1242 Q CA -0.601 55.156 55.803 -0.076 0.000 0.894 1242 Q CB 1.887 30.474 28.738 -0.252 0.000 1.252 1242 Q HN 0.665 nan 8.270 nan 0.000 0.448 1243 V N 2.282 122.139 119.914 -0.094 0.000 2.448 1243 V HA 0.827 4.947 4.120 -0.000 0.000 0.295 1243 V C -0.783 175.196 176.094 -0.193 0.000 1.025 1243 V CA -0.603 61.634 62.300 -0.105 0.000 0.859 1243 V CB 1.440 33.209 31.823 -0.091 0.000 0.988 1243 V HN 0.865 nan 8.190 nan 0.000 0.431 1244 A N 5.377 128.014 122.820 -0.304 0.000 2.304 1244 A HA 0.890 5.210 4.320 -0.000 0.000 0.323 1244 A C -1.098 176.125 177.584 -0.600 0.000 1.195 1244 A CA -0.467 51.132 52.037 -0.730 0.000 0.826 1244 A CB 1.205 19.479 19.000 -1.211 0.000 1.184 1244 A HN 0.834 nan 8.150 nan 0.000 0.496 1245 L N 1.939 122.805 121.223 -0.595 0.000 2.365 1245 L HA 0.590 4.930 4.340 -0.000 0.000 0.273 1245 L C -0.547 176.199 176.870 -0.207 0.000 1.000 1245 L CA -0.220 54.444 54.840 -0.294 0.000 0.819 1245 L CB 1.761 43.719 42.059 -0.168 0.000 1.284 1245 L HN 0.804 nan 8.230 nan 0.000 0.418 1246 H N 3.237 122.209 119.070 -0.164 0.000 2.866 1246 H HA 0.515 5.071 4.556 -0.000 0.000 0.287 1246 H C -0.316 174.959 175.328 -0.088 0.000 1.106 1246 H CA -0.376 55.629 56.048 -0.073 0.000 1.396 1246 H CB 0.826 30.492 29.762 -0.160 0.000 1.469 1246 H HN 0.858 nan 8.280 nan 0.000 0.500 1247 S N 2.548 118.345 115.700 0.161 0.000 2.598 1247 S HA -0.086 4.384 4.470 -0.000 0.000 0.256 1247 S C 0.451 175.036 174.600 -0.025 0.000 1.350 1247 S CA -0.713 57.537 58.200 0.083 0.000 0.984 1247 S CB 0.833 64.129 63.200 0.161 0.000 0.930 1247 S HN 0.748 nan 8.310 nan 0.000 0.577 1248 D N 0.390 120.608 120.400 -0.302 0.000 2.367 1248 D HA 0.180 4.820 4.640 -0.000 0.000 0.255 1248 D C 0.987 176.947 176.300 -0.567 0.000 1.300 1248 D CA 0.112 53.861 54.000 -0.418 0.000 0.959 1248 D CB 0.027 40.608 40.800 -0.365 0.000 1.064 1248 D HN 0.544 nan 8.370 nan 0.000 0.509 1249 T N 3.752 118.175 114.554 -0.219 0.000 2.788 1249 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 1249 T C 1.915 176.572 174.700 -0.073 0.000 1.044 1249 T CA 0.724 62.785 62.100 -0.067 0.000 1.139 1249 T CB 0.013 68.999 68.868 0.196 0.000 0.867 1249 T HN 0.437 nan 8.240 nan 0.000 0.454 1250 L N 0.869 121.975 121.223 -0.196 0.000 2.465 1250 L HA 0.051 4.391 4.340 -0.000 0.000 0.224 1250 L C 0.748 177.571 176.870 -0.077 0.000 1.145 1250 L CA 0.236 54.972 54.840 -0.173 0.000 0.834 1250 L CB -0.648 41.234 42.059 -0.294 0.000 0.944 1250 L HN 0.263 nan 8.230 nan 0.000 0.451 1251 N N -0.006 118.647 118.700 -0.079 0.000 2.741 1251 N HA -0.266 4.474 4.740 -0.000 0.000 0.251 1251 N C 1.142 176.568 175.510 -0.140 0.000 1.112 1251 N CA 1.282 54.324 53.050 -0.015 0.000 0.750 1251 N CB -1.053 37.492 38.487 0.096 0.000 1.119 1251 N HN 0.585 nan 8.380 nan 0.000 0.561 1252 E N 0.682 120.805 120.200 -0.128 0.000 2.085 1252 E HA -0.155 4.194 4.350 -0.000 0.000 0.194 1252 E C 1.429 177.960 176.600 -0.115 0.000 0.994 1252 E CA 1.841 58.167 56.400 -0.123 0.000 0.801 1252 E CB 0.097 29.724 29.700 -0.123 0.000 0.743 1252 E HN 0.552 nan 8.360 nan 0.000 0.453 1253 S N -1.227 114.418 115.700 -0.092 0.000 2.517 1253 S HA 0.406 4.876 4.470 -0.000 0.000 0.214 1253 S C 0.600 175.144 174.600 -0.093 0.000 0.991 1253 S CA -0.003 58.154 58.200 -0.071 0.000 0.906 1253 S CB 1.277 64.458 63.200 -0.032 0.000 0.789 1253 S HN 0.449 nan 8.310 nan 0.000 0.513 1254 G N 0.071 108.786 108.800 -0.142 0.000 2.356 1254 G HA2 0.369 4.329 3.960 -0.000 0.000 0.300 1254 G HA3 0.369 4.329 3.960 -0.000 0.000 0.300 1254 G C -1.044 173.718 174.900 -0.229 0.000 1.331 1254 G CA -1.155 43.792 45.100 -0.254 0.000 0.905 1254 G HN 0.146 nan 8.290 nan 0.000 0.587 1255 F N -1.072 118.879 119.950 0.002 0.000 2.251 1255 F HA 0.508 5.035 4.527 -0.000 0.000 0.302 1255 F C 1.947 177.372 175.800 -0.626 0.000 1.143 1255 F CA 0.177 58.109 58.000 -0.114 0.000 1.104 1255 F CB 0.957 39.921 39.000 -0.060 0.000 1.516 1255 F HN 0.302 nan 8.300 nan 0.000 0.511 1256 V N 1.309 120.954 119.914 -0.448 0.000 2.392 1256 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 1256 V C 2.214 178.137 176.094 -0.284 0.000 1.059 1256 V CA 2.389 64.329 62.300 -0.601 0.000 1.051 1256 V CB -0.650 31.057 31.823 -0.194 0.000 0.658 1256 V HN 0.810 nan 8.190 nan 0.000 0.455 1257 E N -1.016 119.118 120.200 -0.111 0.000 2.153 1257 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 1257 E C 1.655 178.219 176.600 -0.060 0.000 0.988 1257 E CA 1.671 58.038 56.400 -0.055 0.000 0.811 1257 E CB -0.623 29.083 29.700 0.010 0.000 0.746 1257 E HN 0.671 nan 8.360 nan 0.000 0.466 1258 D N 1.008 121.371 120.400 -0.062 0.000 2.123 1258 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 1258 D C 1.826 178.092 176.300 -0.058 0.000 0.976 1258 D CA 1.698 55.670 54.000 -0.046 0.000 0.831 1258 D CB -0.105 40.672 40.800 -0.039 0.000 0.974 1258 D HN 0.194 nan 8.370 nan 0.000 0.469 1259 T N 1.768 116.266 114.554 -0.093 0.000 2.708 1259 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 1259 T C 2.298 176.953 174.700 -0.075 0.000 1.037 1259 T CA 0.619 62.696 62.100 -0.038 0.000 1.146 1259 T CB -0.323 68.556 68.868 0.019 0.000 0.865 1259 T HN 0.084 nan 8.240 nan 0.000 0.435 1260 L N 0.717 121.864 121.223 -0.127 0.000 2.042 1260 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 1260 L C 2.974 179.773 176.870 -0.117 0.000 1.076 1260 L CA 1.352 56.087 54.840 -0.174 0.000 0.749 1260 L CB -0.619 41.284 42.059 -0.259 0.000 0.893 1260 L HN 0.242 nan 8.230 nan 0.000 0.432 1261 A N -0.234 122.541 122.820 -0.075 0.000 1.930 1261 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 1261 A C 2.518 180.080 177.584 -0.037 0.000 1.175 1261 A CA 1.573 53.584 52.037 -0.044 0.000 0.627 1261 A CB -0.665 18.319 19.000 -0.026 0.000 0.815 1261 A HN 0.393 nan 8.150 nan 0.000 0.443 1262 A N -0.031 122.768 122.820 -0.036 0.000 1.930 1262 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 1262 A C 2.070 179.635 177.584 -0.033 0.000 1.175 1262 A CA 1.376 53.397 52.037 -0.027 0.000 0.627 1262 A CB -0.584 18.405 19.000 -0.018 0.000 0.815 1262 A HN 0.497 nan 8.150 nan 0.000 0.443 1263 I N -0.456 120.086 120.570 -0.047 0.000 2.286 1263 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 1263 I C 1.774 177.864 176.117 -0.046 0.000 1.115 1263 I CA 1.035 62.303 61.300 -0.053 0.000 1.392 1263 I CB -0.702 37.251 38.000 -0.078 0.000 1.065 1263 I HN 0.489 nan 8.210 nan 0.000 0.418 1264 G N 1.101 109.875 108.800 -0.044 0.000 2.323 1264 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.292 1264 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.292 1264 G C 0.924 175.810 174.900 -0.024 0.000 1.040 1264 G CA 0.389 45.471 45.100 -0.029 0.000 0.942 1264 G HN 0.970 nan 8.290 nan 0.000 0.506 1265 G N -1.641 107.143 108.800 -0.026 0.000 2.179 1265 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 1265 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 1265 G C 0.447 175.335 174.900 -0.020 0.000 1.010 1265 G CA 1.092 46.185 45.100 -0.012 0.000 0.736 1265 G HN 1.050 nan 8.290 nan 0.000 0.513 1266 R N 0.029 120.510 120.500 -0.032 0.000 2.486 1266 R HA 0.518 4.858 4.340 -0.000 0.000 0.286 1266 R C 0.465 176.737 176.300 -0.045 0.000 0.999 1266 R CA -0.422 55.657 56.100 -0.035 0.000 0.993 1266 R CB 0.773 31.052 30.300 -0.036 0.000 1.084 1266 R HN 0.141 nan 8.270 nan 0.000 0.487 1267 T N 2.767 117.293 114.554 -0.048 0.000 2.946 1267 T HA 0.165 4.515 4.350 -0.000 0.000 0.311 1267 T C 0.162 174.818 174.700 -0.074 0.000 1.063 1267 T CA 0.580 62.643 62.100 -0.061 0.000 1.139 1267 T CB 0.086 68.914 68.868 -0.066 0.000 0.994 1267 T HN 0.406 nan 8.240 nan 0.000 0.547 1268 I N 1.183 121.704 120.570 -0.082 0.000 2.800 1268 I HA 0.219 4.389 4.170 -0.000 0.000 0.294 1268 I C -1.112 174.967 176.117 -0.065 0.000 1.538 1268 I CA -0.809 60.438 61.300 -0.088 0.000 1.010 1268 I CB 2.111 40.057 38.000 -0.090 0.000 1.381 1268 I HN 0.760 nan 8.210 nan 0.000 0.462 1269 H N 4.931 123.865 119.070 -0.226 0.000 2.581 1269 H HA 0.460 5.016 4.556 -0.000 0.000 0.308 1269 H C -0.908 174.252 175.328 -0.280 0.000 1.040 1269 H CA -0.553 55.358 56.048 -0.227 0.000 1.231 1269 H CB 1.031 30.645 29.762 -0.246 0.000 1.396 1269 H HN 0.583 nan 8.280 nan 0.000 0.467 1270 T N 3.484 118.069 114.554 0.052 0.000 2.728 1270 T HA 0.199 4.549 4.350 -0.000 0.000 0.296 1270 T C -0.091 174.567 174.700 -0.070 0.000 0.940 1270 T CA -0.765 61.262 62.100 -0.122 0.000 1.013 1270 T CB 0.237 69.039 68.868 -0.111 0.000 0.912 1270 T HN 0.193 nan 8.240 nan 0.000 0.484 1271 F N 3.794 123.458 119.950 -0.476 0.000 2.418 1271 F HA 0.255 4.782 4.527 -0.000 0.000 0.341 1271 F C 1.487 176.757 175.800 -0.884 0.000 1.120 1271 F CA -0.995 56.630 58.000 -0.624 0.000 1.232 1271 F CB -0.159 38.391 39.000 -0.751 0.000 1.175 1271 F HN 0.971 nan 8.300 nan 0.000 0.569 1272 H N -0.803 118.427 119.070 0.268 0.000 2.284 1272 H HA -0.203 4.353 4.556 -0.000 0.000 0.322 1272 H C 0.680 176.074 175.328 0.110 0.000 0.973 1272 H CA 0.483 56.635 56.048 0.174 0.000 1.076 1272 H CB -2.390 27.451 29.762 0.131 0.000 1.596 1272 H HN 0.533 nan 8.280 nan 0.000 0.361 1273 T N -0.672 113.911 114.554 0.049 0.000 2.946 1273 T HA -0.208 4.142 4.350 -0.000 0.000 0.271 1273 T C 1.754 176.585 174.700 0.220 0.000 1.104 1273 T CA 1.257 63.338 62.100 -0.032 0.000 1.114 1273 T CB 0.023 68.601 68.868 -0.484 0.000 0.867 1273 T HN 0.708 nan 8.240 nan 0.000 0.513 1274 E N 0.707 121.140 120.200 0.388 0.000 2.208 1274 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 1274 E C 1.910 178.609 176.600 0.164 0.000 0.988 1274 E CA 1.064 57.652 56.400 0.312 0.000 0.828 1274 E CB -0.239 29.609 29.700 0.247 0.000 0.763 1274 E HN 0.570 nan 8.360 nan 0.000 0.478 1275 G N 0.115 109.021 108.800 0.176 0.000 2.279 1275 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.223 1275 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.223 1275 G C 1.394 176.298 174.900 0.007 0.000 1.015 1275 G CA 0.669 45.826 45.100 0.095 0.000 0.621 1275 G HN 0.566 nan 8.290 nan 0.000 0.506 1276 A N 0.748 123.572 122.820 0.006 0.000 1.948 1276 A HA 0.286 4.606 4.320 -0.000 0.000 0.220 1276 A C 2.613 180.166 177.584 -0.052 0.000 1.177 1276 A CA 2.465 54.494 52.037 -0.014 0.000 0.636 1276 A CB -0.891 18.106 19.000 -0.006 0.000 0.815 1276 A HN 1.726 nan 8.150 nan 0.000 0.449 1277 G N -1.617 107.088 108.800 -0.159 0.000 2.920 1277 G HA2 0.454 4.414 3.960 -0.000 0.000 0.208 1277 G HA3 0.454 4.414 3.960 -0.000 0.000 0.208 1277 G C 0.683 175.040 174.900 -0.904 0.000 1.159 1277 G CA 0.724 45.559 45.100 -0.441 0.000 0.784 1277 G HN 1.643 nan 8.290 nan 0.000 0.535 1278 G N -2.249 106.199 108.800 -0.586 0.000 2.402 1278 G HA2 0.571 4.531 3.960 -0.000 0.000 0.666 1278 G HA3 0.571 4.531 3.960 -0.000 0.000 0.666 1278 G C -0.210 174.556 174.900 -0.224 0.000 1.402 1278 G CA -0.098 44.697 45.100 -0.509 0.000 0.920 1278 G HN 1.910 nan 8.290 nan 0.000 0.651 1279 G N 0.105 108.880 108.800 -0.042 0.000 2.335 1279 G HA2 0.466 4.426 3.960 -0.000 0.000 0.592 1279 G HA3 0.466 4.426 3.960 -0.000 0.000 0.592 1279 G C -0.443 174.492 174.900 0.060 0.000 1.442 1279 G CA -0.230 44.897 45.100 0.045 0.000 0.976 1279 G HN 1.493 nan 8.290 nan 0.000 0.652 1280 H N 0.176 119.292 119.070 0.077 0.000 3.232 1280 H HA 0.230 4.786 4.556 -0.000 0.000 0.276 1280 H C 1.165 176.535 175.328 0.071 0.000 0.882 1280 H CA 1.495 57.595 56.048 0.086 0.000 1.415 1280 H CB 0.459 30.277 29.762 0.095 0.000 1.405 1280 H HN 0.961 nan 8.280 nan 0.000 0.543 1281 A N 7.027 129.942 122.820 0.158 0.000 2.362 1281 A HA 0.238 4.558 4.320 -0.000 0.000 0.276 1281 A C -1.424 176.209 177.584 0.081 0.000 1.153 1281 A CA -1.149 50.932 52.037 0.072 0.000 0.813 1281 A CB 0.549 19.587 19.000 0.064 0.000 1.081 1281 A HN 0.556 nan 8.150 nan 0.000 0.507 1282 P HA 0.151 nan 4.420 nan 0.000 0.290 1282 P C -0.532 176.740 177.300 -0.047 0.000 1.447 1282 P CA 0.173 63.185 63.100 -0.148 0.000 1.127 1282 P CB 0.585 32.016 31.700 -0.450 0.000 1.555 1283 D N -0.685 119.734 120.400 0.031 0.000 2.463 1283 D HA 0.023 4.663 4.640 -0.000 0.000 0.224 1283 D C 1.318 177.663 176.300 0.074 0.000 1.174 1283 D CA -0.644 53.385 54.000 0.048 0.000 0.829 1283 D CB -0.545 40.277 40.800 0.035 0.000 0.993 1283 D HN -0.034 nan 8.370 nan 0.000 0.497 1284 I N 0.765 121.397 120.570 0.103 0.000 2.530 1284 I HA -0.112 4.058 4.170 -0.000 0.000 0.257 1284 I C 1.672 177.843 176.117 0.091 0.000 1.179 1284 I CA 0.676 62.043 61.300 0.112 0.000 1.440 1284 I CB -0.228 37.855 38.000 0.140 0.000 1.087 1284 I HN 0.214 nan 8.210 nan 0.000 0.440 1285 I N 0.277 120.913 120.570 0.110 0.000 2.567 1285 I HA -0.302 3.868 4.170 -0.000 0.000 0.257 1285 I C 2.156 178.358 176.117 0.142 0.000 1.184 1285 I CA 1.772 63.169 61.300 0.162 0.000 1.451 1285 I CB -0.346 37.759 38.000 0.176 0.000 1.089 1285 I HN 0.488 nan 8.210 nan 0.000 0.441 1286 T N -1.427 113.189 114.554 0.104 0.000 3.051 1286 T HA 0.028 4.378 4.350 -0.000 0.000 0.269 1286 T C 1.838 176.624 174.700 0.144 0.000 1.127 1286 T CA 0.720 62.884 62.100 0.107 0.000 1.107 1286 T CB -0.462 68.460 68.868 0.090 0.000 0.898 1286 T HN 0.399 nan 8.240 nan 0.000 0.517 1287 A N 1.311 124.192 122.820 0.102 0.000 2.019 1287 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 1287 A C 2.645 180.303 177.584 0.124 0.000 1.164 1287 A CA 1.307 53.400 52.037 0.094 0.000 0.644 1287 A CB -1.552 17.435 19.000 -0.021 0.000 0.805 1287 A HN 1.006 nan 8.150 nan 0.000 0.449 1288 C N -1.700 117.633 119.300 0.056 0.000 2.460 1288 C HA 0.390 4.850 4.460 -0.000 0.000 0.291 1288 C C 2.307 177.329 174.990 0.054 0.000 1.493 1288 C CA 0.102 59.131 59.018 0.019 0.000 1.748 1288 C CB -1.798 25.978 27.740 0.059 0.000 1.656 1288 C HN 0.635 nan 8.230 nan 0.000 0.576 1289 A N -0.758 122.108 122.820 0.077 0.000 2.147 1289 A HA 0.189 4.509 4.320 -0.000 0.000 0.211 1289 A C 0.930 178.414 177.584 -0.166 0.000 1.160 1289 A CA 0.106 52.111 52.037 -0.053 0.000 0.781 1289 A CB -0.533 18.395 19.000 -0.120 0.000 0.842 1289 A HN 0.851 nan 8.150 nan 0.000 0.475 1290 H N -0.128 118.928 119.070 -0.022 0.000 2.481 1290 H HA 0.178 4.734 4.556 -0.000 0.000 0.339 1290 H C -1.648 173.660 175.328 -0.033 0.000 1.131 1290 H CA -1.487 54.546 56.048 -0.027 0.000 1.301 1290 H CB 1.240 30.984 29.762 -0.030 0.000 1.476 1290 H HN 0.140 nan 8.280 nan 0.000 0.529 1291 P HA -0.119 nan 4.420 nan 0.000 0.225 1291 P C 0.760 178.067 177.300 0.011 0.000 1.156 1291 P CA 0.967 64.079 63.100 0.020 0.000 0.787 1291 P CB 0.377 32.081 31.700 0.007 0.000 0.802 1292 N N -0.275 118.440 118.700 0.026 0.000 2.398 1292 N HA 0.008 4.748 4.740 -0.000 0.000 0.188 1292 N C 0.365 175.857 175.510 -0.030 0.000 1.122 1292 N CA 0.195 53.240 53.050 -0.010 0.000 0.866 1292 N CB -0.154 38.326 38.487 -0.012 0.000 0.970 1292 N HN 0.099 nan 8.380 nan 0.000 0.462 1293 I N 1.912 122.473 120.570 -0.015 0.000 2.331 1293 I HA 0.280 4.450 4.170 -0.000 0.000 0.292 1293 I C 0.004 176.080 176.117 -0.068 0.000 0.998 1293 I CA -0.831 60.443 61.300 -0.043 0.000 1.267 1293 I CB 1.276 39.261 38.000 -0.026 0.000 1.386 1293 I HN -0.054 nan 8.210 nan 0.000 0.476 1294 L N 8.718 129.886 121.223 -0.093 0.000 2.301 1294 L HA 0.389 4.729 4.340 -0.000 0.000 0.278 1294 L C -2.279 174.513 176.870 -0.130 0.000 1.022 1294 L CA -1.539 53.216 54.840 -0.142 0.000 0.854 1294 L CB 1.284 43.216 42.059 -0.212 0.000 1.226 1294 L HN 0.334 nan 8.230 nan 0.000 0.429 1295 P HA 0.281 nan 4.420 nan 0.000 0.288 1295 P C -0.886 176.290 177.300 -0.208 0.000 1.267 1295 P CA -0.303 62.639 63.100 -0.263 0.000 0.815 1295 P CB 1.926 33.310 31.700 -0.527 0.000 0.989 1296 S N 1.344 117.000 115.700 -0.072 0.000 2.627 1296 S HA 0.703 5.173 4.470 -0.000 0.000 0.283 1296 S C -0.621 174.095 174.600 0.194 0.000 1.127 1296 S CA -0.697 57.587 58.200 0.140 0.000 0.863 1296 S CB 1.219 64.657 63.200 0.397 0.000 1.121 1296 S HN 0.313 nan 8.310 nan 0.000 0.479 1297 S N 1.377 117.299 115.700 0.369 0.000 2.532 1297 S HA 0.775 5.245 4.470 -0.000 0.000 0.301 1297 S C -0.202 174.552 174.600 0.257 0.000 1.083 1297 S CA -0.768 57.681 58.200 0.414 0.000 1.025 1297 S CB 1.612 65.182 63.200 0.616 0.000 1.056 1297 S HN 0.978 nan 8.310 nan 0.000 0.494 1298 T N 0.278 114.959 114.554 0.212 0.000 2.922 1298 T HA 0.260 4.610 4.350 -0.000 0.000 0.285 1298 T C 1.143 175.880 174.700 0.062 0.000 1.005 1298 T CA -0.864 61.279 62.100 0.071 0.000 1.061 1298 T CB 0.587 69.464 68.868 0.014 0.000 1.007 1298 T HN 0.590 nan 8.240 nan 0.000 0.502 1299 N N 1.612 120.308 118.700 -0.007 0.000 2.381 1299 N HA -0.045 4.695 4.740 -0.000 0.000 0.182 1299 N C -0.789 174.732 175.510 0.019 0.000 1.025 1299 N CA 0.377 53.423 53.050 -0.006 0.000 0.888 1299 N CB -1.567 36.891 38.487 -0.049 0.000 0.965 1299 N HN 0.466 nan 8.380 nan 0.000 0.438 1300 P HA -0.080 nan 4.420 nan 0.000 0.222 1300 P C 0.649 178.057 177.300 0.179 0.000 1.147 1300 P CA 1.449 64.604 63.100 0.090 0.000 0.790 1300 P CB -0.321 31.405 31.700 0.043 0.000 0.780 1301 T N -3.536 111.103 114.554 0.142 0.000 3.144 1301 T HA 0.242 4.592 4.350 -0.000 0.000 0.249 1301 T C 0.643 175.390 174.700 0.079 0.000 1.089 1301 T CA -0.167 61.978 62.100 0.076 0.000 0.989 1301 T CB -0.571 68.313 68.868 0.026 0.000 0.992 1301 T HN -0.016 nan 8.240 nan 0.000 0.540 1302 L N 3.208 124.474 121.223 0.071 0.000 2.294 1302 L HA 0.538 4.878 4.340 -0.000 0.000 0.283 1302 L C -2.457 174.440 176.870 0.045 0.000 1.015 1302 L CA -2.297 52.574 54.840 0.053 0.000 0.831 1302 L CB 1.827 43.892 42.059 0.011 0.000 1.217 1302 L HN 0.003 nan 8.230 nan 0.000 0.420 1303 P HA 0.129 nan 4.420 nan 0.000 0.292 1303 P C -1.334 176.051 177.300 0.143 0.000 1.304 1303 P CA -0.750 62.408 63.100 0.098 0.000 0.848 1303 P CB 1.142 32.898 31.700 0.092 0.000 1.260 1304 Y N 1.561 121.867 120.300 0.009 0.000 2.605 1304 Y HA 0.290 4.840 4.550 -0.000 0.000 0.336 1304 Y C 0.329 176.232 175.900 0.006 0.000 1.111 1304 Y CA 0.376 58.474 58.100 -0.004 0.000 1.422 1304 Y CB -0.711 37.744 38.460 -0.008 0.000 1.193 1304 Y HN 0.403 nan 8.280 nan 0.000 0.526 1305 T N 2.594 117.070 114.554 -0.130 0.000 2.831 1305 T HA 0.373 4.722 4.350 -0.000 0.000 0.287 1305 T C 0.988 175.530 174.700 -0.264 0.000 1.070 1305 T CA -0.844 61.126 62.100 -0.217 0.000 1.010 1305 T CB 0.799 69.629 68.868 -0.063 0.000 1.264 1305 T HN 0.588 nan 8.240 nan 0.000 0.532 1306 L N 0.525 121.640 121.223 -0.180 0.000 2.079 1306 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 1306 L C 2.072 178.909 176.870 -0.055 0.000 1.081 1306 L CA 1.324 56.089 54.840 -0.125 0.000 0.752 1306 L CB -0.429 41.582 42.059 -0.080 0.000 0.896 1306 L HN 0.672 nan 8.230 nan 0.000 0.433 1307 N N -1.522 117.163 118.700 -0.025 0.000 2.280 1307 N HA -0.007 4.733 4.740 -0.000 0.000 0.192 1307 N C 1.540 177.079 175.510 0.048 0.000 1.109 1307 N CA 0.443 53.499 53.050 0.010 0.000 0.855 1307 N CB 0.391 38.883 38.487 0.009 0.000 0.974 1307 N HN 0.229 nan 8.380 nan 0.000 0.482 1308 T N 2.237 116.826 114.554 0.058 0.000 2.624 1308 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 1308 T C 1.993 176.753 174.700 0.100 0.000 1.041 1308 T CA 0.877 63.036 62.100 0.098 0.000 1.159 1308 T CB 0.051 68.978 68.868 0.097 0.000 0.863 1308 T HN 0.114 nan 8.240 nan 0.000 0.434 1309 I N 1.944 122.556 120.570 0.070 0.000 2.142 1309 I HA -0.133 4.037 4.170 -0.000 0.000 0.240 1309 I C 2.127 178.292 176.117 0.080 0.000 1.078 1309 I CA 1.599 62.931 61.300 0.053 0.000 1.343 1309 I CB -1.498 36.540 38.000 0.064 0.000 1.046 1309 I HN 0.260 nan 8.210 nan 0.000 0.405 1310 D N 0.657 121.096 120.400 0.064 0.000 2.158 1310 D HA -0.250 4.390 4.640 -0.000 0.000 0.197 1310 D C 2.141 178.472 176.300 0.051 0.000 0.995 1310 D CA 1.419 55.447 54.000 0.047 0.000 0.846 1310 D CB -0.188 40.631 40.800 0.030 0.000 0.941 1310 D HN 0.494 nan 8.370 nan 0.000 0.456 1311 E N -0.263 119.985 120.200 0.080 0.000 2.072 1311 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 1311 E C 1.677 178.300 176.600 0.039 0.000 0.985 1311 E CA 0.848 57.283 56.400 0.058 0.000 0.801 1311 E CB 0.014 29.761 29.700 0.078 0.000 0.750 1311 E HN 0.380 nan 8.360 nan 0.000 0.452 1312 H N 0.312 119.362 119.070 -0.033 0.000 2.387 1312 H HA -0.152 4.404 4.556 -0.000 0.000 0.299 1312 H C 1.909 177.198 175.328 -0.064 0.000 1.099 1312 H CA 1.520 57.539 56.048 -0.049 0.000 1.315 1312 H CB -0.228 29.511 29.762 -0.039 0.000 1.380 1312 H HN 0.185 nan 8.280 nan 0.000 0.513 1313 L N 0.611 121.860 121.223 0.042 0.000 1.989 1313 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 1313 L C 1.667 178.500 176.870 -0.061 0.000 1.071 1313 L CA 1.980 56.811 54.840 -0.016 0.000 0.749 1313 L CB -0.545 41.508 42.059 -0.009 0.000 0.890 1313 L HN 0.231 nan 8.230 nan 0.000 0.431 1314 D N -0.824 119.538 120.400 -0.064 0.000 2.144 1314 D HA -0.231 4.409 4.640 -0.000 0.000 0.200 1314 D C 2.197 178.421 176.300 -0.125 0.000 0.978 1314 D CA 1.653 55.602 54.000 -0.084 0.000 0.833 1314 D CB -0.088 40.669 40.800 -0.071 0.000 0.961 1314 D HN 0.472 nan 8.370 nan 0.000 0.470 1315 M N 0.568 120.074 119.600 -0.157 0.000 2.108 1315 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 1315 M C 2.018 178.182 176.300 -0.227 0.000 1.066 1315 M CA 1.074 56.242 55.300 -0.221 0.000 1.107 1315 M CB 0.014 32.427 32.600 -0.311 0.000 1.356 1315 M HN -0.007 nan 8.290 nan 0.000 0.406 1316 L N 1.054 122.168 121.223 -0.181 0.000 1.989 1316 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 1316 L C 2.357 179.138 176.870 -0.148 0.000 1.071 1316 L CA 2.003 56.755 54.840 -0.146 0.000 0.749 1316 L CB -1.115 40.870 42.059 -0.123 0.000 0.890 1316 L HN 0.439 nan 8.230 nan 0.000 0.431 1317 M N -0.972 118.548 119.600 -0.134 0.000 2.110 1317 M HA -0.233 4.247 4.480 -0.000 0.000 0.257 1317 M C 2.283 178.498 176.300 -0.141 0.000 1.071 1317 M CA 1.755 56.990 55.300 -0.108 0.000 1.096 1317 M CB -1.347 31.203 32.600 -0.082 0.000 1.300 1317 M HN 0.133 nan 8.290 nan 0.000 0.411 1318 V N 0.191 119.999 119.914 -0.176 0.000 2.287 1318 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 1318 V C 2.726 178.602 176.094 -0.363 0.000 1.053 1318 V CA 2.081 64.250 62.300 -0.218 0.000 1.027 1318 V CB -1.070 30.628 31.823 -0.207 0.000 0.646 1318 V HN 0.726 nan 8.190 nan 0.000 0.447 1319 C N 0.516 119.558 119.300 -0.430 0.000 2.413 1319 C HA -0.221 4.239 4.460 -0.000 0.000 0.277 1319 C C 2.565 177.076 174.990 -0.799 0.000 1.228 1319 C CA 1.386 60.034 59.018 -0.617 0.000 1.731 1319 C CB -1.367 25.953 27.740 -0.700 0.000 2.042 1319 C HN 0.696 nan 8.230 nan 0.000 0.468 1320 H N -0.038 118.822 119.070 -0.350 0.000 2.536 1320 H HA 0.136 4.692 4.556 -0.000 0.000 0.276 1320 H C 0.384 175.574 175.328 -0.230 0.000 1.019 1320 H CA 0.892 56.775 56.048 -0.274 0.000 1.159 1320 H CB -0.731 29.012 29.762 -0.032 0.000 1.373 1320 H HN 0.697 nan 8.280 nan 0.000 0.584 1321 H N -0.984 118.107 119.070 0.034 0.000 2.791 1321 H HA -0.163 4.393 4.556 -0.000 0.000 0.302 1321 H C 0.215 175.570 175.328 0.044 0.000 1.198 1321 H CA 0.376 56.436 56.048 0.020 0.000 1.145 1321 H CB -2.311 27.456 29.762 0.010 0.000 1.385 1321 H HN 0.325 nan 8.280 nan 0.000 0.409 1322 L N 0.452 121.733 121.223 0.096 0.000 2.439 1322 L HA 0.324 4.664 4.340 -0.000 0.000 0.259 1322 L C 1.059 177.966 176.870 0.061 0.000 1.129 1322 L CA -0.156 54.745 54.840 0.101 0.000 0.803 1322 L CB 0.736 42.844 42.059 0.082 0.000 1.161 1322 L HN 0.028 nan 8.230 nan 0.000 0.462 1323 D N 1.683 122.120 120.400 0.062 0.000 2.381 1323 D HA 0.219 4.859 4.640 -0.000 0.000 0.235 1323 D C -1.775 174.543 176.300 0.030 0.000 1.068 1323 D CA -1.883 52.142 54.000 0.041 0.000 0.832 1323 D CB 2.135 42.961 40.800 0.043 0.000 1.101 1323 D HN 0.190 nan 8.370 nan 0.000 0.515 1324 P HA -0.081 nan 4.420 nan 0.000 0.225 1324 P C 0.436 177.744 177.300 0.014 0.000 1.148 1324 P CA 0.704 63.808 63.100 0.007 0.000 0.779 1324 P CB 0.793 32.490 31.700 -0.004 0.000 0.780 1325 D N -0.271 120.139 120.400 0.017 0.000 2.301 1325 D HA 0.104 4.744 4.640 -0.000 0.000 0.206 1325 D C 1.049 177.363 176.300 0.024 0.000 0.979 1325 D CA 0.245 54.255 54.000 0.018 0.000 0.874 1325 D CB 0.168 40.977 40.800 0.015 0.000 0.968 1325 D HN 0.260 nan 8.370 nan 0.000 0.510 1326 I N 1.843 122.432 120.570 0.032 0.000 2.347 1326 I HA 0.056 4.226 4.170 -0.000 0.000 0.294 1326 I C 1.646 177.791 176.117 0.047 0.000 1.090 1326 I CA -0.499 60.825 61.300 0.039 0.000 1.314 1326 I CB 1.536 39.563 38.000 0.046 0.000 1.423 1326 I HN -0.144 nan 8.210 nan 0.000 0.503 1327 A N 5.509 128.354 122.820 0.042 0.000 1.915 1327 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 1327 A C 2.052 179.676 177.584 0.067 0.000 1.198 1327 A CA 1.911 53.976 52.037 0.047 0.000 0.647 1327 A CB -0.384 18.639 19.000 0.039 0.000 0.825 1327 A HN 0.749 nan 8.150 nan 0.000 0.456 1328 E N 0.024 120.266 120.200 0.071 0.000 2.204 1328 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 1328 E C 1.454 178.154 176.600 0.166 0.000 0.990 1328 E CA 1.295 57.752 56.400 0.094 0.000 0.821 1328 E CB -0.238 29.497 29.700 0.059 0.000 0.750 1328 E HN 0.620 nan 8.360 nan 0.000 0.477 1329 D N -0.953 119.539 120.400 0.153 0.000 2.194 1329 D HA -0.093 4.547 4.640 -0.000 0.000 0.204 1329 D C 1.898 178.277 176.300 0.132 0.000 0.964 1329 D CA 1.082 55.209 54.000 0.212 0.000 0.846 1329 D CB 0.116 41.000 40.800 0.139 0.000 0.962 1329 D HN 0.256 nan 8.370 nan 0.000 0.490 1330 V N -1.758 118.202 119.914 0.078 0.000 2.878 1330 V HA 0.240 4.360 4.120 -0.000 0.000 0.250 1330 V C 2.140 178.253 176.094 0.032 0.000 1.075 1330 V CA 0.977 63.292 62.300 0.025 0.000 1.096 1330 V CB -0.481 31.354 31.823 0.021 0.000 0.724 1330 V HN 0.060 nan 8.190 nan 0.000 0.467 1331 A N 0.977 123.848 122.820 0.084 0.000 1.929 1331 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 1331 A C 2.022 179.687 177.584 0.135 0.000 1.176 1331 A CA 1.729 53.824 52.037 0.097 0.000 0.628 1331 A CB -0.793 18.270 19.000 0.106 0.000 0.816 1331 A HN 0.790 nan 8.150 nan 0.000 0.444 1332 F N 0.826 120.788 119.950 0.020 0.000 2.407 1332 F HA 0.218 4.745 4.527 -0.000 0.000 0.299 1332 F C 2.045 177.850 175.800 0.009 0.000 1.097 1332 F CA 0.687 58.694 58.000 0.011 0.000 1.422 1332 F CB -0.382 38.619 39.000 0.001 0.000 1.067 1332 F HN 0.194 nan 8.300 nan 0.000 0.539 1333 A N 0.586 123.165 122.820 -0.402 0.000 1.898 1333 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 1333 A C 2.135 179.607 177.584 -0.186 0.000 1.183 1333 A CA 1.321 53.089 52.037 -0.449 0.000 0.622 1333 A CB -0.693 18.122 19.000 -0.309 0.000 0.824 1333 A HN 0.509 nan 8.150 nan 0.000 0.444 1334 E N 0.488 120.640 120.200 -0.080 0.000 2.152 1334 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 1334 E C 2.136 178.736 176.600 0.000 0.000 0.983 1334 E CA 1.234 57.623 56.400 -0.018 0.000 0.818 1334 E CB -0.167 29.544 29.700 0.019 0.000 0.758 1334 E HN 0.747 nan 8.360 nan 0.000 0.467 1335 S N 0.535 116.246 115.700 0.019 0.000 2.507 1335 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 1335 S C 1.829 176.395 174.600 -0.056 0.000 0.988 1335 S CA 0.588 58.800 58.200 0.021 0.000 0.944 1335 S CB 0.037 63.292 63.200 0.091 0.000 0.762 1335 S HN 0.095 nan 8.310 nan 0.000 0.526 1336 R N 0.110 120.575 120.500 -0.059 0.000 2.189 1336 R HA 0.395 4.735 4.340 -0.000 0.000 0.203 1336 R C -0.092 176.160 176.300 -0.080 0.000 1.012 1336 R CA 0.317 56.374 56.100 -0.073 0.000 1.015 1336 R CB 0.118 30.358 30.300 -0.100 0.000 0.938 1336 R HN 0.435 nan 8.270 nan 0.000 0.472 1337 I N 2.029 122.559 120.570 -0.066 0.000 2.297 1337 I HA 0.249 4.418 4.170 -0.000 0.000 0.291 1337 I C -0.614 175.468 176.117 -0.059 0.000 1.033 1337 I CA -0.248 61.015 61.300 -0.060 0.000 1.253 1337 I CB 1.367 39.353 38.000 -0.024 0.000 1.396 1337 I HN -0.068 nan 8.210 nan 0.000 0.476 1338 R N 5.121 125.568 120.500 -0.089 0.000 2.451 1338 R HA 0.356 4.696 4.340 -0.000 0.000 0.307 1338 R C 0.862 177.114 176.300 -0.080 0.000 0.965 1338 R CA -0.791 55.278 56.100 -0.052 0.000 0.865 1338 R CB 2.242 32.469 30.300 -0.122 0.000 1.174 1338 R HN 0.521 nan 8.270 nan 0.000 0.455 1339 R N 1.995 122.466 120.500 -0.049 0.000 2.096 1339 R HA -0.235 4.105 4.340 -0.000 0.000 0.240 1339 R C 0.627 176.793 176.300 -0.223 0.000 1.139 1339 R CA 2.077 58.096 56.100 -0.135 0.000 0.952 1339 R CB 0.211 30.500 30.300 -0.017 0.000 0.854 1339 R HN 0.583 nan 8.270 nan 0.000 0.436 1340 E N -0.315 119.835 120.200 -0.083 0.000 2.048 1340 E HA -0.212 4.138 4.350 -0.000 0.000 0.202 1340 E C 2.034 178.568 176.600 -0.110 0.000 1.021 1340 E CA 2.525 58.886 56.400 -0.064 0.000 0.825 1340 E CB -0.425 29.307 29.700 0.052 0.000 0.756 1340 E HN 0.628 nan 8.360 nan 0.000 0.454 1341 T N -1.193 113.305 114.554 -0.094 0.000 2.951 1341 T HA -0.011 4.339 4.350 -0.000 0.000 0.268 1341 T C 1.989 176.597 174.700 -0.153 0.000 1.073 1341 T CA 0.714 62.757 62.100 -0.096 0.000 1.134 1341 T CB -0.310 68.523 68.868 -0.058 0.000 0.884 1341 T HN 0.051 nan 8.240 nan 0.000 0.479 1342 I N 1.720 122.154 120.570 -0.226 0.000 2.226 1342 I HA -0.091 4.079 4.170 -0.000 0.000 0.245 1342 I C 3.176 179.070 176.117 -0.371 0.000 1.100 1342 I CA 1.227 62.358 61.300 -0.282 0.000 1.374 1342 I CB -0.560 37.229 38.000 -0.352 0.000 1.057 1342 I HN 0.349 nan 8.210 nan 0.000 0.413 1343 A N 0.699 123.188 122.820 -0.551 0.000 1.898 1343 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 1343 A C 2.536 180.015 177.584 -0.175 0.000 1.181 1343 A CA 1.617 53.389 52.037 -0.442 0.000 0.620 1343 A CB -0.731 18.012 19.000 -0.428 0.000 0.819 1343 A HN 0.415 nan 8.150 nan 0.000 0.442 1344 A N -0.268 122.451 122.820 -0.168 0.000 1.933 1344 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 1344 A C 1.994 179.459 177.584 -0.197 0.000 1.175 1344 A CA 1.764 53.721 52.037 -0.133 0.000 0.628 1344 A CB -0.547 18.389 19.000 -0.108 0.000 0.814 1344 A HN 0.684 nan 8.150 nan 0.000 0.444 1345 E N -0.009 120.043 120.200 -0.248 0.000 2.097 1345 E HA -0.289 4.061 4.350 -0.000 0.000 0.196 1345 E C 1.333 177.789 176.600 -0.241 0.000 1.000 1345 E CA 1.644 57.797 56.400 -0.413 0.000 0.804 1345 E CB -0.193 29.356 29.700 -0.251 0.000 0.740 1345 E HN 0.557 nan 8.360 nan 0.000 0.454 1346 D N -0.171 120.195 120.400 -0.056 0.000 2.104 1346 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 1346 D C 2.005 178.345 176.300 0.066 0.000 0.994 1346 D CA 1.464 55.503 54.000 0.065 0.000 0.830 1346 D CB -0.176 40.678 40.800 0.089 0.000 0.959 1346 D HN 0.122 nan 8.370 nan 0.000 0.452 1347 V N 0.543 120.456 119.914 -0.002 0.000 2.379 1347 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 1347 V C 2.531 178.607 176.094 -0.030 0.000 1.044 1347 V CA 0.965 63.271 62.300 0.010 0.000 1.036 1347 V CB -0.489 31.331 31.823 -0.005 0.000 0.664 1347 V HN 0.216 nan 8.190 nan 0.000 0.453 1348 L N -0.734 120.393 121.223 -0.159 0.000 2.187 1348 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 1348 L C 2.466 179.216 176.870 -0.201 0.000 1.100 1348 L CA 1.674 56.380 54.840 -0.224 0.000 0.765 1348 L CB -0.655 41.125 42.059 -0.466 0.000 0.904 1348 L HN 0.430 nan 8.230 nan 0.000 0.437 1349 H N -1.066 117.909 119.070 -0.158 0.000 2.333 1349 H HA -0.179 4.377 4.556 -0.000 0.000 0.302 1349 H C 1.956 177.209 175.328 -0.126 0.000 1.075 1349 H CA 1.591 57.572 56.048 -0.112 0.000 1.348 1349 H CB 0.158 29.869 29.762 -0.085 0.000 1.393 1349 H HN 0.172 nan 8.280 nan 0.000 0.509 1350 D N 0.038 120.537 120.400 0.165 0.000 2.182 1350 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 1350 D C 1.681 178.063 176.300 0.138 0.000 0.986 1350 D CA 0.851 54.989 54.000 0.231 0.000 0.847 1350 D CB -0.025 40.925 40.800 0.251 0.000 0.942 1350 D HN 0.338 nan 8.370 nan 0.000 0.467 1351 L N -1.696 119.575 121.223 0.080 0.000 2.446 1351 L HA 0.228 4.568 4.340 -0.000 0.000 0.219 1351 L C 1.636 178.551 176.870 0.074 0.000 1.116 1351 L CA 0.544 55.431 54.840 0.079 0.000 0.844 1351 L CB 0.039 42.128 42.059 0.050 0.000 0.970 1351 L HN 0.232 nan 8.230 nan 0.000 0.457 1352 G N -0.550 108.273 108.800 0.037 0.000 2.134 1352 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.209 1352 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.209 1352 G C 0.823 175.750 174.900 0.046 0.000 0.993 1352 G CA 0.301 45.425 45.100 0.040 0.000 0.669 1352 G HN 0.366 nan 8.290 nan 0.000 0.519 1353 A N -0.800 122.052 122.820 0.054 0.000 1.935 1353 A HA 0.647 4.967 4.320 -0.000 0.000 0.214 1353 A C 0.667 178.366 177.584 0.192 0.000 1.178 1353 A CA 0.815 52.917 52.037 0.108 0.000 0.640 1353 A CB 0.042 19.115 19.000 0.122 0.000 0.825 1353 A HN 0.579 nan 8.150 nan 0.000 0.447 1354 F N 0.003 119.807 119.950 -0.244 0.000 2.420 1354 F HA 0.441 4.968 4.527 -0.000 0.000 0.342 1354 F C 1.147 176.829 175.800 -0.197 0.000 1.113 1354 F CA -0.990 56.810 58.000 -0.333 0.000 1.059 1354 F CB 1.877 40.355 39.000 -0.869 0.000 1.128 1354 F HN -0.037 nan 8.300 nan 0.000 0.475 1355 S N 2.547 118.256 115.700 0.015 0.000 2.523 1355 S HA 0.354 4.824 4.470 -0.000 0.000 0.217 1355 S C -0.191 174.447 174.600 0.062 0.000 0.996 1355 S CA 0.041 58.255 58.200 0.024 0.000 0.921 1355 S CB 0.201 63.379 63.200 -0.038 0.000 0.829 1355 S HN 0.263 nan 8.310 nan 0.000 0.495 1356 L N 1.119 122.427 121.223 0.140 0.000 2.415 1356 L HA 0.581 4.921 4.340 -0.000 0.000 0.256 1356 L C -0.298 176.732 176.870 0.266 0.000 1.010 1356 L CA -0.383 54.551 54.840 0.157 0.000 0.826 1356 L CB 1.973 44.087 42.059 0.091 0.000 1.405 1356 L HN 0.025 nan 8.230 nan 0.000 0.410 1357 T N -2.058 112.607 114.554 0.185 0.000 2.886 1357 T HA 0.904 5.254 4.350 -0.000 0.000 0.292 1357 T C -0.477 174.294 174.700 0.118 0.000 1.012 1357 T CA -0.540 61.642 62.100 0.137 0.000 0.982 1357 T CB 1.730 70.614 68.868 0.026 0.000 1.018 1357 T HN 0.744 nan 8.240 nan 0.000 0.451 1358 S N 1.161 116.912 115.700 0.086 0.000 2.794 1358 S HA 0.732 5.202 4.470 -0.000 0.000 0.299 1358 S C 0.965 175.535 174.600 -0.050 0.000 1.179 1358 S CA -0.086 58.137 58.200 0.038 0.000 0.838 1358 S CB 1.288 64.533 63.200 0.075 0.000 1.206 1358 S HN 1.098 nan 8.310 nan 0.000 0.523 1359 S N 0.017 115.649 115.700 -0.113 0.000 2.431 1359 S HA 0.237 4.707 4.470 -0.000 0.000 0.210 1359 S C 0.274 174.698 174.600 -0.293 0.000 1.013 1359 S CA 1.140 59.241 58.200 -0.165 0.000 0.920 1359 S CB -0.770 62.345 63.200 -0.142 0.000 0.882 1359 S HN 1.228 nan 8.310 nan 0.000 0.567 1360 D N 1.538 121.681 120.400 -0.428 0.000 2.838 1360 D HA -0.128 4.512 4.640 -0.000 0.000 0.237 1360 D C -0.472 175.694 176.300 -0.224 0.000 1.059 1360 D CA 0.718 54.361 54.000 -0.594 0.000 0.763 1360 D CB -1.912 38.444 40.800 -0.740 0.000 1.070 1360 D HN 0.651 nan 8.370 nan 0.000 0.437 1361 S N 0.961 116.574 115.700 -0.144 0.000 2.885 1361 S HA 0.033 4.503 4.470 -0.000 0.000 0.334 1361 S C 1.049 175.560 174.600 -0.150 0.000 1.224 1361 S CA 1.016 59.136 58.200 -0.133 0.000 1.080 1361 S CB 0.807 63.924 63.200 -0.138 0.000 0.801 1361 S HN 0.469 nan 8.310 nan 0.000 0.510 1362 Q N 0.012 119.705 119.800 -0.178 0.000 2.468 1362 Q HA -0.269 4.071 4.340 -0.000 0.000 0.256 1362 Q C 0.250 176.062 176.000 -0.313 0.000 0.984 1362 Q CA 1.043 56.725 55.803 -0.201 0.000 1.110 1362 Q CB -2.018 26.645 28.738 -0.125 0.000 1.527 1362 Q HN 1.240 nan 8.270 nan 0.000 0.535 1363 A N 0.221 122.802 122.820 -0.399 0.000 3.415 1363 A HA 0.577 4.897 4.320 -0.000 0.000 0.244 1363 A C 0.375 177.745 177.584 -0.357 0.000 0.988 1363 A CA 0.122 51.852 52.037 -0.511 0.000 0.991 1363 A CB 0.405 18.792 19.000 -1.022 0.000 1.240 1363 A HN 0.342 nan 8.150 nan 0.000 0.541 1364 M N -1.192 118.224 119.600 -0.306 0.000 2.575 1364 M HA -0.151 4.329 4.480 -0.000 0.000 0.212 1364 M C 0.229 176.399 176.300 -0.216 0.000 0.479 1364 M CA 1.020 56.164 55.300 -0.261 0.000 0.603 1364 M CB -1.493 30.975 32.600 -0.219 0.000 2.193 1364 M HN 1.252 nan 8.290 nan 0.000 0.810 1365 G N 0.538 109.209 108.800 -0.215 0.000 2.616 1365 G HA2 0.675 4.635 3.960 -0.000 0.000 0.294 1365 G HA3 0.675 4.635 3.960 -0.000 0.000 0.294 1365 G C -1.348 173.454 174.900 -0.164 0.000 1.489 1365 G CA -1.124 43.866 45.100 -0.183 0.000 0.836 1365 G HN 0.261 nan 8.290 nan 0.000 0.527 1366 R N 1.831 122.250 120.500 -0.136 0.000 2.275 1366 R HA 0.375 4.715 4.340 -0.000 0.000 0.326 1366 R C 1.134 177.367 176.300 -0.113 0.000 0.973 1366 R CA -0.724 55.302 56.100 -0.123 0.000 0.854 1366 R CB 1.998 32.228 30.300 -0.116 0.000 1.156 1366 R HN 0.345 nan 8.270 nan 0.000 0.487 1367 V N 2.842 122.691 119.914 -0.108 0.000 2.439 1367 V HA -0.202 3.918 4.120 -0.000 0.000 0.253 1367 V C 1.386 177.433 176.094 -0.078 0.000 1.074 1367 V CA 2.628 64.870 62.300 -0.096 0.000 1.076 1367 V CB -0.108 31.663 31.823 -0.086 0.000 0.664 1367 V HN 0.988 nan 8.190 nan 0.000 0.461 1368 G N -1.442 107.313 108.800 -0.074 0.000 3.523 1368 G HA2 0.197 4.157 3.960 -0.000 0.000 0.270 1368 G HA3 0.197 4.157 3.960 -0.000 0.000 0.270 1368 G C 0.657 175.522 174.900 -0.059 0.000 1.134 1368 G CA 0.094 45.160 45.100 -0.058 0.000 0.825 1368 G HN 0.612 nan 8.290 nan 0.000 0.534 1369 E N -0.145 120.006 120.200 -0.081 0.000 2.758 1369 E HA 0.136 4.486 4.350 -0.000 0.000 0.215 1369 E C 1.475 178.013 176.600 -0.104 0.000 0.985 1369 E CA -0.212 56.138 56.400 -0.083 0.000 1.102 1369 E CB 1.142 30.786 29.700 -0.093 0.000 1.042 1369 E HN 0.180 nan 8.360 nan 0.000 0.480 1370 V N 0.875 120.713 119.914 -0.125 0.000 2.307 1370 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 1370 V C 2.124 178.038 176.094 -0.301 0.000 1.045 1370 V CA 1.592 63.793 62.300 -0.166 0.000 1.024 1370 V CB -0.244 31.497 31.823 -0.137 0.000 0.651 1370 V HN 0.362 nan 8.190 nan 0.000 0.449 1371 I N -0.453 119.883 120.570 -0.391 0.000 2.193 1371 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 1371 I C 2.448 178.412 176.117 -0.256 0.000 1.084 1371 I CA 1.497 62.427 61.300 -0.617 0.000 1.365 1371 I CB -0.378 37.341 38.000 -0.469 0.000 1.064 1371 I HN 0.278 nan 8.210 nan 0.000 0.410 1372 L N 1.074 122.234 121.223 -0.104 0.000 2.013 1372 L HA -0.272 4.067 4.340 -0.000 0.000 0.212 1372 L C 2.843 179.713 176.870 -0.001 0.000 1.073 1372 L CA 1.780 56.620 54.840 0.000 0.000 0.753 1372 L CB -0.261 41.808 42.059 0.017 0.000 0.890 1372 L HN 0.160 nan 8.230 nan 0.000 0.432 1373 R N -1.272 119.190 120.500 -0.063 0.000 2.115 1373 R HA -0.086 4.254 4.340 -0.000 0.000 0.226 1373 R C 2.109 178.359 176.300 -0.084 0.000 1.100 1373 R CA 1.618 57.687 56.100 -0.051 0.000 0.980 1373 R CB -0.472 29.796 30.300 -0.053 0.000 0.875 1373 R HN 0.404 nan 8.270 nan 0.000 0.445 1374 T N -0.044 114.393 114.554 -0.195 0.000 2.746 1374 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 1374 T C 1.238 175.764 174.700 -0.291 0.000 1.039 1374 T CA 1.337 63.279 62.100 -0.264 0.000 1.142 1374 T CB -0.201 68.437 68.868 -0.383 0.000 0.866 1374 T HN 0.447 nan 8.240 nan 0.000 0.444 1375 W N 1.456 122.759 121.300 0.005 0.000 2.436 1375 W HA 0.030 4.690 4.660 -0.000 0.000 0.284 1375 W C 2.642 179.132 176.519 -0.049 0.000 1.225 1375 W CA -0.030 57.294 57.345 -0.035 0.000 1.271 1375 W CB -0.210 29.238 29.460 -0.020 0.000 1.114 1375 W HN 0.290 nan 8.180 nan 0.000 0.559 1376 Q N 0.026 119.913 119.800 0.145 0.000 2.119 1376 Q HA -0.167 4.173 4.340 -0.000 0.000 0.201 1376 Q C 2.146 178.212 176.000 0.110 0.000 0.972 1376 Q CA 1.586 57.458 55.803 0.114 0.000 0.847 1376 Q CB -0.490 28.289 28.738 0.069 0.000 0.903 1376 Q HN 0.195 nan 8.270 nan 0.000 0.433 1377 V N 0.986 120.927 119.914 0.044 0.000 2.295 1377 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 1377 V C 2.317 178.383 176.094 -0.048 0.000 1.049 1377 V CA 1.838 64.165 62.300 0.044 0.000 1.024 1377 V CB -1.048 30.824 31.823 0.082 0.000 0.648 1377 V HN 0.395 nan 8.190 nan 0.000 0.447 1378 A N -0.116 122.518 122.820 -0.310 0.000 1.892 1378 A HA -0.356 3.964 4.320 -0.000 0.000 0.218 1378 A C 2.116 179.604 177.584 -0.160 0.000 1.188 1378 A CA 2.678 54.334 52.037 -0.634 0.000 0.631 1378 A CB -0.968 17.571 19.000 -0.767 0.000 0.822 1378 A HN 0.820 nan 8.150 nan 0.000 0.447 1379 H N -0.674 118.351 119.070 -0.076 0.000 2.290 1379 H HA -0.091 4.465 4.556 -0.000 0.000 0.298 1379 H C 2.224 177.550 175.328 -0.003 0.000 1.087 1379 H CA 2.035 58.074 56.048 -0.015 0.000 1.291 1379 H CB -0.055 29.715 29.762 0.013 0.000 1.369 1379 H HN 0.246 nan 8.280 nan 0.000 0.492 1380 R N -0.247 120.220 120.500 -0.056 0.000 2.120 1380 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 1380 R C 2.214 178.467 176.300 -0.078 0.000 1.123 1380 R CA 1.237 57.283 56.100 -0.089 0.000 0.975 1380 R CB -0.317 30.016 30.300 0.055 0.000 0.866 1380 R HN 0.478 nan 8.270 nan 0.000 0.446 1381 M N 0.338 119.918 119.600 -0.034 0.000 2.200 1381 M HA -0.085 4.395 4.480 -0.000 0.000 0.265 1381 M C 2.104 178.396 176.300 -0.014 0.000 1.066 1381 M CA 1.213 56.520 55.300 0.011 0.000 1.127 1381 M CB -0.655 31.996 32.600 0.084 0.000 1.379 1381 M HN 0.052 nan 8.290 nan 0.000 0.420 1382 K N 0.465 120.831 120.400 -0.057 0.000 2.001 1382 K HA -0.105 4.214 4.320 -0.000 0.000 0.208 1382 K C 1.863 178.424 176.600 -0.065 0.000 1.048 1382 K CA 1.309 57.572 56.287 -0.039 0.000 0.932 1382 K CB -0.014 32.464 32.500 -0.037 0.000 0.715 1382 K HN 0.064 nan 8.250 nan 0.000 0.437 1383 V N 1.619 121.439 119.914 -0.156 0.000 2.324 1383 V HA -0.291 3.829 4.120 -0.000 0.000 0.250 1383 V C 2.329 178.384 176.094 -0.065 0.000 1.060 1383 V CA 2.083 64.297 62.300 -0.142 0.000 1.042 1383 V CB -0.457 31.212 31.823 -0.257 0.000 0.650 1383 V HN 0.461 nan 8.190 nan 0.000 0.450 1384 Q N -0.881 118.891 119.800 -0.047 0.000 2.204 1384 Q HA 0.041 4.381 4.340 -0.000 0.000 0.198 1384 Q C 2.160 178.163 176.000 0.005 0.000 0.946 1384 Q CA 0.774 56.571 55.803 -0.011 0.000 0.859 1384 Q CB 0.086 28.828 28.738 0.006 0.000 0.946 1384 Q HN 0.589 nan 8.270 nan 0.000 0.474 1385 R N -0.184 120.324 120.500 0.012 0.000 2.397 1385 R HA 0.274 4.614 4.340 -0.000 0.000 0.241 1385 R C 0.709 177.026 176.300 0.028 0.000 0.914 1385 R CA 0.434 56.550 56.100 0.026 0.000 1.071 1385 R CB 1.047 31.374 30.300 0.044 0.000 1.116 1385 R HN 0.190 nan 8.270 nan 0.000 0.524 1386 G N 1.714 110.526 108.800 0.019 0.000 2.598 1386 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 1386 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 1386 G C -0.171 174.755 174.900 0.043 0.000 1.302 1386 G CA -0.378 44.736 45.100 0.024 0.000 0.903 1386 G HN 0.443 nan 8.290 nan 0.000 0.575 1387 A N -0.652 122.195 122.820 0.045 0.000 2.425 1387 A HA 0.603 4.923 4.320 -0.000 0.000 0.242 1387 A C 0.934 178.564 177.584 0.077 0.000 1.077 1387 A CA 0.355 52.431 52.037 0.064 0.000 0.781 1387 A CB 0.075 19.105 19.000 0.049 0.000 1.020 1387 A HN 1.209 nan 8.150 nan 0.000 0.494 1388 L N 1.065 122.356 121.223 0.113 0.000 2.456 1388 L HA 0.315 4.655 4.340 -0.000 0.000 0.257 1388 L C 1.822 178.728 176.870 0.060 0.000 1.162 1388 L CA -0.025 54.890 54.840 0.124 0.000 0.808 1388 L CB 0.781 42.981 42.059 0.235 0.000 1.136 1388 L HN 0.882 nan 8.230 nan 0.000 0.466 1389 A N 0.895 123.734 122.820 0.031 0.000 2.019 1389 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 1389 A C 1.763 179.299 177.584 -0.080 0.000 1.164 1389 A CA 1.374 53.402 52.037 -0.015 0.000 0.644 1389 A CB -0.390 18.602 19.000 -0.013 0.000 0.805 1389 A HN 0.863 nan 8.150 nan 0.000 0.449 1390 E N 0.483 120.587 120.200 -0.160 0.000 2.478 1390 E HA 0.053 4.403 4.350 -0.000 0.000 0.194 1390 E C 0.167 176.597 176.600 -0.283 0.000 1.045 1390 E CA -0.046 56.115 56.400 -0.399 0.000 0.868 1390 E CB 0.135 29.184 29.700 -1.084 0.000 0.885 1390 E HN 0.451 nan 8.360 nan 0.000 0.505 1391 E N 0.712 120.873 120.200 -0.065 0.000 2.398 1391 E HA 0.099 4.449 4.350 -0.000 0.000 0.263 1391 E C -0.236 176.363 176.600 -0.001 0.000 1.046 1391 E CA 0.411 56.830 56.400 0.031 0.000 0.908 1391 E CB 1.297 31.045 29.700 0.080 0.000 0.963 1391 E HN -0.093 nan 8.360 nan 0.000 0.431 1392 T N 0.606 115.174 114.554 0.023 0.000 2.893 1392 T HA 0.586 4.936 4.350 -0.000 0.000 0.293 1392 T C -0.264 174.451 174.700 0.026 0.000 1.027 1392 T CA 0.437 62.545 62.100 0.013 0.000 0.988 1392 T CB 1.102 69.976 68.868 0.009 0.000 1.043 1392 T HN 0.706 nan 8.240 nan 0.000 0.461 1393 G N 2.909 111.718 108.800 0.015 0.000 2.855 1393 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.352 1393 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.352 1393 G C -0.459 174.445 174.900 0.007 0.000 1.415 1393 G CA -0.226 44.880 45.100 0.011 0.000 0.871 1393 G HN 0.753 nan 8.290 nan 0.000 0.543 1394 D N 1.909 122.305 120.400 -0.008 0.000 2.767 1394 D HA 0.245 4.885 4.640 -0.000 0.000 0.241 1394 D C 0.706 176.994 176.300 -0.020 0.000 1.187 1394 D CA 0.345 54.330 54.000 -0.025 0.000 0.999 1394 D CB -0.840 39.925 40.800 -0.058 0.000 1.042 1394 D HN 0.640 nan 8.370 nan 0.000 0.510 1395 N N -0.767 117.947 118.700 0.024 0.000 3.039 1395 N HA 0.187 4.927 4.740 -0.000 0.000 0.257 1395 N C -0.858 174.707 175.510 0.092 0.000 1.497 1395 N CA -0.644 52.445 53.050 0.065 0.000 0.861 1395 N CB 1.145 39.675 38.487 0.071 0.000 1.479 1395 N HN -0.174 nan 8.380 nan 0.000 0.547 1396 D N -0.290 120.179 120.400 0.115 0.000 2.559 1396 D HA 0.116 4.756 4.640 -0.000 0.000 0.234 1396 D C 0.149 176.509 176.300 0.100 0.000 1.226 1396 D CA -0.211 53.857 54.000 0.114 0.000 0.830 1396 D CB 0.019 40.887 40.800 0.113 0.000 1.028 1396 D HN 0.360 nan 8.370 nan 0.000 0.492 1397 N N 0.816 119.571 118.700 0.091 0.000 2.094 1397 N HA -0.193 4.547 4.740 -0.000 0.000 0.191 1397 N C 1.357 176.915 175.510 0.081 0.000 1.023 1397 N CA 0.856 53.947 53.050 0.068 0.000 0.857 1397 N CB -0.390 38.139 38.487 0.070 0.000 1.013 1397 N HN 0.287 nan 8.380 nan 0.000 0.426 1398 F N 1.344 121.302 119.950 0.013 0.000 2.186 1398 F HA -0.006 4.521 4.527 -0.000 0.000 0.299 1398 F C 2.466 178.284 175.800 0.030 0.000 1.090 1398 F CA 0.926 58.914 58.000 -0.020 0.000 1.307 1398 F CB -0.000 38.988 39.000 -0.020 0.000 1.019 1398 F HN -0.084 nan 8.300 nan 0.000 0.489 1399 R N -0.120 120.427 120.500 0.079 0.000 2.152 1399 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 1399 R C 1.865 178.274 176.300 0.181 0.000 1.117 1399 R CA 1.537 57.716 56.100 0.133 0.000 0.981 1399 R CB -0.369 30.043 30.300 0.187 0.000 0.870 1399 R HN 0.299 nan 8.270 nan 0.000 0.451 1400 V N 1.045 121.038 119.914 0.132 0.000 2.379 1400 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 1400 V C 2.010 178.219 176.094 0.191 0.000 1.044 1400 V CA 1.758 64.227 62.300 0.282 0.000 1.036 1400 V CB -0.274 31.604 31.823 0.092 0.000 0.664 1400 V HN 0.342 nan 8.190 nan 0.000 0.453 1401 K N 0.057 120.408 120.400 -0.081 0.000 2.097 1401 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 1401 K C 2.345 178.831 176.600 -0.191 0.000 1.050 1401 K CA 1.447 57.636 56.287 -0.164 0.000 0.938 1401 K CB -0.230 32.049 32.500 -0.369 0.000 0.718 1401 K HN 0.329 nan 8.250 nan 0.000 0.442 1402 R N 0.161 120.403 120.500 -0.429 0.000 2.075 1402 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 1402 R C 1.688 177.891 176.300 -0.161 0.000 1.126 1402 R CA 1.503 57.417 56.100 -0.311 0.000 0.963 1402 R CB -0.183 29.861 30.300 -0.426 0.000 0.858 1402 R HN 0.185 nan 8.270 nan 0.000 0.435 1403 Y N 0.169 120.380 120.300 -0.148 0.000 2.337 1403 Y HA -0.010 4.540 4.550 -0.000 0.000 0.293 1403 Y C 2.106 177.799 175.900 -0.344 0.000 1.123 1403 Y CA 0.909 58.854 58.100 -0.257 0.000 1.201 1403 Y CB -0.030 38.173 38.460 -0.428 0.000 1.011 1403 Y HN 0.084 nan 8.280 nan 0.000 0.545 1404 I N -0.513 120.032 120.570 -0.041 0.000 2.394 1404 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 1404 I C 2.291 178.188 176.117 -0.366 0.000 1.136 1404 I CA 1.130 62.314 61.300 -0.193 0.000 1.425 1404 I CB -0.144 37.960 38.000 0.173 0.000 1.079 1404 I HN 0.198 nan 8.210 nan 0.000 0.425 1405 A N 0.592 123.342 122.820 -0.116 0.000 2.070 1405 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 1405 A C 2.182 179.699 177.584 -0.112 0.000 1.159 1405 A CA 1.438 53.433 52.037 -0.069 0.000 0.656 1405 A CB -0.441 18.571 19.000 0.021 0.000 0.800 1405 A HN 0.410 nan 8.150 nan 0.000 0.453 1406 K N -1.347 118.978 120.400 -0.125 0.000 2.147 1406 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 1406 K C 1.135 177.769 176.600 0.058 0.000 1.049 1406 K CA 1.756 58.025 56.287 -0.030 0.000 0.936 1406 K CB -0.253 32.233 32.500 -0.023 0.000 0.722 1406 K HN 0.917 nan 8.250 nan 0.000 0.446 1407 Y N -1.383 118.917 120.300 0.001 0.000 2.612 1407 Y HA 0.286 4.835 4.550 -0.000 0.000 0.250 1407 Y C 1.005 176.951 175.900 0.078 0.000 1.175 1407 Y CA -0.263 57.855 58.100 0.031 0.000 1.205 1407 Y CB -0.206 38.258 38.460 0.007 0.000 1.201 1407 Y HN -0.072 nan 8.280 nan 0.000 0.532 1408 T N -2.873 111.627 114.554 -0.090 0.000 3.216 1408 T HA 0.129 4.479 4.350 -0.000 0.000 0.167 1408 T C 1.277 176.001 174.700 0.040 0.000 0.905 1408 T CA 0.561 62.659 62.100 -0.003 0.000 1.042 1408 T CB -0.742 68.095 68.868 -0.051 0.000 1.787 1408 T HN 0.093 nan 8.240 nan 0.000 0.355 1409 I N 3.132 123.725 120.570 0.037 0.000 2.142 1409 I HA -0.098 4.072 4.170 -0.000 0.000 0.240 1409 I C 2.028 178.127 176.117 -0.031 0.000 1.078 1409 I CA 1.583 62.892 61.300 0.014 0.000 1.343 1409 I CB -0.822 37.141 38.000 -0.061 0.000 1.046 1409 I HN 0.286 nan 8.210 nan 0.000 0.405 1410 N N 0.679 119.347 118.700 -0.054 0.000 2.094 1410 N HA -0.145 4.595 4.740 -0.000 0.000 0.191 1410 N C -0.750 174.741 175.510 -0.032 0.000 1.023 1410 N CA 1.980 54.995 53.050 -0.058 0.000 0.857 1410 N CB -1.923 36.528 38.487 -0.060 0.000 1.013 1410 N HN 0.356 nan 8.380 nan 0.000 0.426 1411 P HA 0.026 nan 4.420 nan 0.000 0.219 1411 P C 0.989 178.328 177.300 0.065 0.000 1.150 1411 P CA 1.222 64.357 63.100 0.058 0.000 0.814 1411 P CB -0.006 31.754 31.700 0.101 0.000 0.787 1412 A N -0.842 121.999 122.820 0.035 0.000 1.969 1412 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 1412 A C 2.121 179.710 177.584 0.009 0.000 1.169 1412 A CA 1.219 53.266 52.037 0.017 0.000 0.635 1412 A CB -1.513 17.502 19.000 0.025 0.000 0.810 1412 A HN 0.111 nan 8.150 nan 0.000 0.445 1413 L N -1.031 120.187 121.223 -0.008 0.000 2.044 1413 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 1413 L C 2.757 179.597 176.870 -0.049 0.000 1.075 1413 L CA 1.655 56.480 54.840 -0.025 0.000 0.747 1413 L CB -0.838 41.190 42.059 -0.052 0.000 0.903 1413 L HN 0.299 nan 8.230 nan 0.000 0.435 1414 T N -1.914 112.593 114.554 -0.080 0.000 2.759 1414 T HA -0.206 4.144 4.350 -0.000 0.000 0.269 1414 T C 1.440 175.996 174.700 -0.241 0.000 1.042 1414 T CA 1.229 63.223 62.100 -0.176 0.000 1.140 1414 T CB -0.257 68.461 68.868 -0.250 0.000 0.864 1414 T HN 0.348 nan 8.240 nan 0.000 0.455 1415 H N -0.363 118.679 119.070 -0.046 0.000 2.520 1415 H HA 0.346 4.902 4.556 -0.000 0.000 0.284 1415 H C 1.627 176.924 175.328 -0.052 0.000 1.037 1415 H CA 0.341 56.368 56.048 -0.035 0.000 1.168 1415 H CB 0.114 29.862 29.762 -0.024 0.000 1.497 1415 H HN 0.497 nan 8.280 nan 0.000 0.547 1416 G N 2.352 111.167 108.800 0.026 0.000 2.221 1416 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.265 1416 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.265 1416 G C 0.828 175.796 174.900 0.114 0.000 1.041 1416 G CA 0.704 45.837 45.100 0.056 0.000 0.807 1416 G HN 0.635 nan 8.290 nan 0.000 0.502 1417 I N -4.162 116.413 120.570 0.008 0.000 4.102 1417 I HA 0.683 4.853 4.170 -0.000 0.000 0.325 1417 I C 1.697 177.752 176.117 -0.103 0.000 1.471 1417 I CA 0.345 61.555 61.300 -0.149 0.000 1.133 1417 I CB 0.315 37.937 38.000 -0.630 0.000 1.184 1417 I HN 0.115 nan 8.210 nan 0.000 0.451 1418 A N 1.756 124.605 122.820 0.048 0.000 2.121 1418 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 1418 A C 2.037 179.676 177.584 0.092 0.000 1.154 1418 A CA 1.820 53.892 52.037 0.057 0.000 0.679 1418 A CB -1.236 17.801 19.000 0.062 0.000 0.795 1418 A HN 0.855 nan 8.150 nan 0.000 0.458 1419 H N -2.658 116.445 119.070 0.055 0.000 2.502 1419 H HA 0.171 4.727 4.556 -0.000 0.000 0.283 1419 H C 1.514 176.899 175.328 0.096 0.000 1.015 1419 H CA 1.043 57.130 56.048 0.066 0.000 1.298 1419 H CB 0.150 29.947 29.762 0.058 0.000 1.411 1419 H HN 0.372 nan 8.280 nan 0.000 0.556 1420 E N 0.994 120.992 120.200 -0.336 0.000 2.206 1420 E HA 0.129 4.479 4.350 -0.000 0.000 0.195 1420 E C 0.885 177.499 176.600 0.023 0.000 0.935 1420 E CA 0.949 57.264 56.400 -0.142 0.000 0.875 1420 E CB 1.049 30.680 29.700 -0.115 0.000 0.841 1420 E HN 0.422 nan 8.360 nan 0.000 0.477 1421 V N -5.128 114.811 119.914 0.041 0.000 3.076 1421 V HA 0.835 4.955 4.120 -0.000 0.000 0.311 1421 V C 0.848 177.000 176.094 0.097 0.000 1.346 1421 V CA -0.240 62.119 62.300 0.099 0.000 1.056 1421 V CB 1.159 33.073 31.823 0.150 0.000 1.093 1421 V HN 0.250 nan 8.190 nan 0.000 0.468 1422 G N -0.105 108.770 108.800 0.124 0.000 2.238 1422 G HA2 0.084 4.044 3.960 -0.000 0.000 0.217 1422 G HA3 0.084 4.044 3.960 -0.000 0.000 0.217 1422 G C 0.272 175.281 174.900 0.181 0.000 0.996 1422 G CA 0.624 45.802 45.100 0.130 0.000 0.632 1422 G HN 2.483 nan 8.290 nan 0.000 0.503 1423 S N -1.175 114.649 115.700 0.206 0.000 2.611 1423 S HA 0.662 5.132 4.470 -0.000 0.000 0.268 1423 S C -0.739 174.014 174.600 0.256 0.000 1.156 1423 S CA -0.689 57.672 58.200 0.269 0.000 0.817 1423 S CB 1.208 64.653 63.200 0.408 0.000 1.122 1423 S HN 0.776 nan 8.310 nan 0.000 0.466 1424 I N 1.519 122.284 120.570 0.325 0.000 2.241 1424 I HA 0.396 4.566 4.170 -0.000 0.000 0.294 1424 I C -0.107 176.194 176.117 0.307 0.000 1.145 1424 I CA 0.174 61.664 61.300 0.318 0.000 1.261 1424 I CB -0.182 38.029 38.000 0.352 0.000 1.475 1424 I HN 0.573 nan 8.210 nan 0.000 0.533 1425 E N 3.963 124.254 120.200 0.153 0.000 2.340 1425 E HA 0.338 4.688 4.350 -0.000 0.000 0.273 1425 E C -0.680 175.926 176.600 0.010 0.000 0.891 1425 E CA -1.001 55.406 56.400 0.012 0.000 0.757 1425 E CB 3.246 32.949 29.700 0.005 0.000 1.231 1425 E HN 0.304 nan 8.360 nan 0.000 0.439 1426 V N 0.241 120.123 119.914 -0.054 0.000 2.788 1426 V HA 0.384 4.504 4.120 -0.000 0.000 0.307 1426 V C 1.038 177.125 176.094 -0.011 0.000 1.069 1426 V CA 1.120 63.391 62.300 -0.048 0.000 1.173 1426 V CB 0.183 31.927 31.823 -0.132 0.000 0.925 1426 V HN 1.034 nan 8.190 nan 0.000 0.492 1427 G N 3.030 111.841 108.800 0.019 0.000 2.284 1427 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.230 1427 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.230 1427 G C 0.367 175.304 174.900 0.062 0.000 1.021 1427 G CA 0.321 45.445 45.100 0.041 0.000 0.619 1427 G HN 0.909 nan 8.290 nan 0.000 0.510 1428 K N 0.329 120.770 120.400 0.068 0.000 2.202 1428 K HA 0.530 4.850 4.320 -0.000 0.000 0.264 1428 K C 0.386 177.036 176.600 0.084 0.000 1.010 1428 K CA -0.767 55.567 56.287 0.079 0.000 0.940 1428 K CB 1.326 33.884 32.500 0.095 0.000 0.983 1428 K HN 0.207 nan 8.250 nan 0.000 0.475 1429 L N 1.772 123.042 121.223 0.080 0.000 2.514 1429 L HA -0.015 4.325 4.340 -0.000 0.000 0.280 1429 L C -0.079 176.846 176.870 0.092 0.000 1.223 1429 L CA 0.725 55.611 54.840 0.077 0.000 0.864 1429 L CB 0.477 42.576 42.059 0.067 0.000 1.118 1429 L HN 0.741 nan 8.230 nan 0.000 0.494 1430 A N 3.639 126.512 122.820 0.088 0.000 3.026 1430 A HA 0.205 4.525 4.320 -0.000 0.000 0.272 1430 A C -0.447 177.190 177.584 0.089 0.000 1.782 1430 A CA -0.356 51.737 52.037 0.094 0.000 1.451 1430 A CB -1.101 17.953 19.000 0.089 0.000 1.081 1430 A HN 0.683 nan 8.150 nan 0.000 0.611 1431 D N 1.723 122.183 120.400 0.100 0.000 2.485 1431 D HA 0.519 5.159 4.640 -0.000 0.000 0.229 1431 D C -0.295 176.069 176.300 0.107 0.000 1.101 1431 D CA 0.374 54.433 54.000 0.098 0.000 0.906 1431 D CB 0.742 41.610 40.800 0.113 0.000 1.019 1431 D HN 0.423 nan 8.370 nan 0.000 0.516 1432 L N 0.638 121.912 121.223 0.085 0.000 2.323 1432 L HA 0.711 5.051 4.340 -0.000 0.000 0.265 1432 L C -0.451 176.436 176.870 0.029 0.000 1.012 1432 L CA -1.255 53.638 54.840 0.088 0.000 0.820 1432 L CB 2.278 44.393 42.059 0.093 0.000 1.334 1432 L HN -0.134 nan 8.230 nan 0.000 0.427 1433 V N 1.646 121.567 119.914 0.011 0.000 2.525 1433 V HA 0.394 4.514 4.120 -0.000 0.000 0.299 1433 V C -0.331 175.616 176.094 -0.244 0.000 1.034 1433 V CA -0.672 61.506 62.300 -0.204 0.000 0.863 1433 V CB 2.134 33.752 31.823 -0.342 0.000 0.999 1433 V HN 0.411 nan 8.190 nan 0.000 0.423 1434 V N 3.920 123.670 119.914 -0.274 0.000 2.439 1434 V HA 0.515 4.635 4.120 -0.000 0.000 0.282 1434 V C -0.772 175.219 176.094 -0.171 0.000 1.039 1434 V CA -0.415 61.826 62.300 -0.098 0.000 0.913 1434 V CB 1.277 33.088 31.823 -0.020 0.000 0.983 1434 V HN 0.907 nan 8.190 nan 0.000 0.460 1435 W N 1.808 123.184 121.300 0.127 0.000 2.864 1435 W HA 0.645 5.305 4.660 -0.000 0.000 0.343 1435 W C 0.184 176.797 176.519 0.156 0.000 1.109 1435 W CA -0.664 56.769 57.345 0.147 0.000 1.192 1435 W CB 1.747 31.338 29.460 0.219 0.000 1.426 1435 W HN 0.442 nan 8.180 nan 0.000 0.529 1436 S N 1.901 117.861 115.700 0.435 0.000 2.525 1436 S HA 0.322 4.792 4.470 -0.000 0.000 0.278 1436 S C -1.545 173.242 174.600 0.311 0.000 1.234 1436 S CA -1.412 56.981 58.200 0.322 0.000 1.058 1436 S CB 1.088 64.496 63.200 0.347 0.000 0.983 1436 S HN 0.202 nan 8.310 nan 0.000 0.495 1437 P HA -0.115 nan 4.420 nan 0.000 0.217 1437 P C 1.032 178.328 177.300 -0.007 0.000 1.148 1437 P CA 1.495 64.616 63.100 0.036 0.000 0.834 1437 P CB 0.071 31.751 31.700 -0.034 0.000 0.783 1438 A N -2.520 120.311 122.820 0.019 0.000 2.119 1438 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 1438 A C 1.248 178.606 177.584 -0.376 0.000 1.153 1438 A CA 1.041 52.972 52.037 -0.177 0.000 0.692 1438 A CB -1.169 17.690 19.000 -0.234 0.000 0.799 1438 A HN 0.180 nan 8.150 nan 0.000 0.458 1439 F N -2.512 117.489 119.950 0.084 0.000 2.724 1439 F HA 0.328 4.855 4.527 -0.000 0.000 0.310 1439 F C 0.261 176.033 175.800 -0.047 0.000 1.107 1439 F CA -1.168 56.822 58.000 -0.017 0.000 1.218 1439 F CB 0.099 39.155 39.000 0.093 0.000 1.042 1439 F HN 0.146 nan 8.300 nan 0.000 0.540 1440 F N 1.496 121.366 119.950 -0.133 0.000 2.623 1440 F HA 0.333 4.860 4.527 -0.000 0.000 0.383 1440 F C 1.396 176.773 175.800 -0.705 0.000 1.077 1440 F CA 1.208 58.908 58.000 -0.501 0.000 1.268 1440 F CB 0.476 39.111 39.000 -0.608 0.000 1.053 1440 F HN 0.326 nan 8.300 nan 0.000 0.571 1441 G N 3.286 110.879 108.800 -2.012 0.000 2.245 1441 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.264 1441 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.264 1441 G C 0.562 175.252 174.900 -0.349 0.000 0.985 1441 G CA 0.514 44.899 45.100 -1.192 0.000 0.625 1441 G HN 0.763 nan 8.290 nan 0.000 0.536 1442 V N -0.687 119.126 119.914 -0.169 0.000 2.735 1442 V HA 0.381 4.501 4.120 -0.000 0.000 0.234 1442 V C 0.991 177.187 176.094 0.168 0.000 1.121 1442 V CA 1.782 64.068 62.300 -0.023 0.000 1.160 1442 V CB 0.264 31.852 31.823 -0.391 0.000 0.908 1442 V HN 0.277 nan 8.190 nan 0.000 0.495 1443 K N 1.157 121.718 120.400 0.269 0.000 2.613 1443 K HA 0.450 4.770 4.320 -0.000 0.000 0.248 1443 K C -2.942 173.835 176.600 0.295 0.000 0.959 1443 K CA -1.635 54.797 56.287 0.242 0.000 0.855 1443 K CB 2.513 35.111 32.500 0.163 0.000 1.143 1443 K HN 0.157 nan 8.250 nan 0.000 0.437 1444 P HA 0.044 nan 4.420 nan 0.000 0.271 1444 P C -0.008 177.274 177.300 -0.029 0.000 1.218 1444 P CA -0.051 62.909 63.100 -0.233 0.000 0.780 1444 P CB 1.153 32.483 31.700 -0.617 0.000 0.901 1445 A N 2.271 125.039 122.820 -0.087 0.000 1.903 1445 A HA 0.103 4.423 4.320 -0.000 0.000 0.213 1445 A C 0.555 178.085 177.584 -0.089 0.000 1.185 1445 A CA 1.540 53.535 52.037 -0.071 0.000 0.628 1445 A CB -0.471 18.520 19.000 -0.016 0.000 0.830 1445 A HN 0.558 nan 8.150 nan 0.000 0.446 1446 T N -0.910 113.574 114.554 -0.117 0.000 2.993 1446 T HA 0.511 4.861 4.350 -0.000 0.000 0.312 1446 T C -1.317 173.304 174.700 -0.131 0.000 1.115 1446 T CA -0.394 61.654 62.100 -0.088 0.000 1.027 1446 T CB 1.987 70.822 68.868 -0.056 0.000 1.116 1446 T HN -0.006 nan 8.240 nan 0.000 0.464 1447 V N 3.995 123.862 119.914 -0.078 0.000 2.349 1447 V HA 0.471 4.591 4.120 -0.000 0.000 0.284 1447 V C -0.282 175.797 176.094 -0.026 0.000 1.014 1447 V CA -0.717 61.533 62.300 -0.084 0.000 0.826 1447 V CB 0.948 32.727 31.823 -0.074 0.000 1.009 1447 V HN 0.776 nan 8.190 nan 0.000 0.431 1448 I N 4.859 125.420 120.570 -0.014 0.000 2.353 1448 I HA 0.477 4.647 4.170 -0.000 0.000 0.293 1448 I C 0.190 176.329 176.117 0.037 0.000 0.992 1448 I CA -0.434 60.877 61.300 0.018 0.000 1.268 1448 I CB 1.253 39.269 38.000 0.027 0.000 1.387 1448 I HN 0.377 nan 8.210 nan 0.000 0.478 1449 K N 4.077 124.504 120.400 0.045 0.000 2.502 1449 K HA 0.326 4.646 4.320 -0.000 0.000 0.254 1449 K C 0.344 176.981 176.600 0.061 0.000 0.947 1449 K CA -0.323 55.998 56.287 0.055 0.000 0.834 1449 K CB 1.877 34.408 32.500 0.052 0.000 1.112 1449 K HN 0.913 nan 8.250 nan 0.000 0.427 1450 G N 1.941 110.780 108.800 0.064 0.000 2.258 1450 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.274 1450 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.274 1450 G C 0.714 175.661 174.900 0.078 0.000 1.021 1450 G CA 1.051 46.191 45.100 0.067 0.000 0.798 1450 G HN 1.117 nan 8.290 nan 0.000 0.507 1451 G N -2.175 106.666 108.800 0.068 0.000 2.176 1451 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.232 1451 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.232 1451 G C 0.192 175.120 174.900 0.047 0.000 0.986 1451 G CA 0.700 45.836 45.100 0.060 0.000 0.643 1451 G HN 1.070 nan 8.290 nan 0.000 0.522 1452 M N 0.646 120.277 119.600 0.053 0.000 2.395 1452 M HA 0.510 4.990 4.480 -0.000 0.000 0.307 1452 M C 0.214 176.546 176.300 0.053 0.000 1.091 1452 M CA -0.851 54.480 55.300 0.051 0.000 0.919 1452 M CB 2.245 34.882 32.600 0.062 0.000 1.662 1452 M HN 0.052 nan 8.290 nan 0.000 0.440 1453 I N 2.045 122.648 120.570 0.054 0.000 2.662 1453 I HA -0.003 4.167 4.170 -0.000 0.000 0.285 1453 I C 0.989 177.135 176.117 0.048 0.000 1.161 1453 I CA 0.143 61.469 61.300 0.043 0.000 1.415 1453 I CB 0.857 38.882 38.000 0.042 0.000 1.385 1453 I HN 0.892 nan 8.210 nan 0.000 0.552 1454 A N 7.242 130.081 122.820 0.030 0.000 2.014 1454 A HA 0.385 4.705 4.320 -0.000 0.000 0.210 1454 A C 0.674 178.263 177.584 0.009 0.000 1.188 1454 A CA 0.589 52.639 52.037 0.023 0.000 0.731 1454 A CB 0.412 19.428 19.000 0.027 0.000 0.858 1454 A HN 0.658 nan 8.150 nan 0.000 0.464 1455 I N -1.802 118.780 120.570 0.020 0.000 2.775 1455 I HA 0.612 4.782 4.170 -0.000 0.000 0.295 1455 I C -1.322 174.837 176.117 0.070 0.000 1.287 1455 I CA -0.486 60.842 61.300 0.046 0.000 1.029 1455 I CB 2.183 40.228 38.000 0.075 0.000 1.282 1455 I HN 0.248 nan 8.210 nan 0.000 0.426 1456 A N 6.028 128.879 122.820 0.052 0.000 2.601 1456 A HA 0.836 5.156 4.320 -0.000 0.000 0.291 1456 A C -3.083 174.319 177.584 -0.303 0.000 1.075 1456 A CA -1.291 50.714 52.037 -0.053 0.000 0.671 1456 A CB 1.652 20.603 19.000 -0.082 0.000 1.277 1456 A HN 0.328 nan 8.150 nan 0.000 0.417 1457 P HA 0.480 nan 4.420 nan 0.000 0.271 1457 P C -0.771 176.283 177.300 -0.409 0.000 1.216 1457 P CA 0.179 62.819 63.100 -0.767 0.000 0.771 1457 P CB 0.530 31.808 31.700 -0.703 0.000 0.864 1458 M N 3.009 122.378 119.600 -0.386 0.000 2.324 1458 M HA 0.593 5.073 4.480 -0.000 0.000 0.288 1458 M C -0.179 175.946 176.300 -0.292 0.000 1.097 1458 M CA -0.375 54.752 55.300 -0.287 0.000 0.928 1458 M CB 1.586 34.034 32.600 -0.253 0.000 1.648 1458 M HN 0.401 nan 8.290 nan 0.000 0.460 1459 G N 1.108 109.793 108.800 -0.192 0.000 2.509 1459 G HA2 0.251 4.211 3.960 -0.000 0.000 0.269 1459 G HA3 0.251 4.211 3.960 -0.000 0.000 0.269 1459 G C -0.900 173.932 174.900 -0.113 0.000 1.416 1459 G CA -0.566 44.449 45.100 -0.142 0.000 1.052 1459 G HN 0.723 nan 8.290 nan 0.000 0.542 1460 D N 0.163 120.524 120.400 -0.064 0.000 2.554 1460 D HA -0.089 4.551 4.640 -0.000 0.000 0.251 1460 D C 1.809 178.084 176.300 -0.042 0.000 1.213 1460 D CA -0.257 53.720 54.000 -0.038 0.000 0.900 1460 D CB 0.187 40.975 40.800 -0.020 0.000 1.135 1460 D HN 0.060 nan 8.370 nan 0.000 0.522 1461 I N 3.589 124.134 120.570 -0.042 0.000 2.423 1461 I HA -0.241 3.929 4.170 -0.000 0.000 0.254 1461 I C 1.821 177.926 176.117 -0.021 0.000 1.151 1461 I CA 1.039 62.317 61.300 -0.037 0.000 1.421 1461 I CB -0.999 36.980 38.000 -0.034 0.000 1.079 1461 I HN 0.437 nan 8.210 nan 0.000 0.431 1462 N N 0.788 119.480 118.700 -0.014 0.000 2.336 1462 N HA 0.135 4.875 4.740 -0.000 0.000 0.189 1462 N C 0.680 176.185 175.510 -0.009 0.000 1.113 1462 N CA 0.175 53.220 53.050 -0.008 0.000 0.858 1462 N CB 0.268 38.752 38.487 -0.004 0.000 0.970 1462 N HN 0.264 nan 8.380 nan 0.000 0.471 1463 A N -0.420 122.391 122.820 -0.013 0.000 2.366 1463 A HA 0.236 4.556 4.320 -0.000 0.000 0.250 1463 A C 1.338 178.915 177.584 -0.011 0.000 1.099 1463 A CA 0.299 52.328 52.037 -0.013 0.000 0.794 1463 A CB -0.005 18.984 19.000 -0.019 0.000 1.056 1463 A HN 0.456 nan 8.150 nan 0.000 0.499 1464 S N -0.690 115.004 115.700 -0.010 0.000 2.562 1464 S HA 0.264 4.734 4.470 -0.000 0.000 0.221 1464 S C 0.441 175.037 174.600 -0.008 0.000 0.975 1464 S CA 0.746 58.942 58.200 -0.007 0.000 0.918 1464 S CB -0.967 62.229 63.200 -0.007 0.000 0.772 1464 S HN 0.803 nan 8.310 nan 0.000 0.531 1465 I N -3.098 117.465 120.570 -0.013 0.000 3.102 1465 I HA 0.448 4.618 4.170 -0.000 0.000 0.310 1465 I C -2.649 173.454 176.117 -0.024 0.000 1.246 1465 I CA -2.676 58.616 61.300 -0.014 0.000 0.979 1465 I CB 1.826 39.818 38.000 -0.014 0.000 1.267 1465 I HN -0.363 nan 8.210 nan 0.000 0.451 1466 P HA -0.012 nan 4.420 nan 0.000 0.245 1466 P C 0.940 178.202 177.300 -0.064 0.000 1.212 1466 P CA 0.775 63.847 63.100 -0.047 0.000 0.774 1466 P CB 0.033 31.706 31.700 -0.044 0.000 0.999 1467 T N -4.545 109.978 114.554 -0.051 0.000 3.057 1467 T HA 0.223 4.573 4.350 -0.000 0.000 0.254 1467 T C -1.601 173.068 174.700 -0.051 0.000 1.094 1467 T CA -0.481 61.585 62.100 -0.057 0.000 1.088 1467 T CB -1.776 67.065 68.868 -0.044 0.000 0.934 1467 T HN 0.111 nan 8.240 nan 0.000 0.497 1468 P HA 0.220 nan 4.420 nan 0.000 0.269 1468 P C 0.081 177.361 177.300 -0.032 0.000 1.209 1468 P CA -0.254 62.828 63.100 -0.031 0.000 0.776 1468 P CB 0.398 32.085 31.700 -0.023 0.000 0.876 1469 Q N 2.694 122.482 119.800 -0.020 0.000 2.454 1469 Q HA 0.197 4.537 4.340 -0.000 0.000 0.247 1469 Q C -1.881 174.124 176.000 0.008 0.000 1.028 1469 Q CA -1.140 54.659 55.803 -0.007 0.000 0.910 1469 Q CB -0.519 28.219 28.738 0.000 0.000 1.276 1469 Q HN 0.408 nan 8.270 nan 0.000 0.489 1470 P HA 0.228 nan 4.420 nan 0.000 0.284 1470 P C -0.866 176.467 177.300 0.054 0.000 1.253 1470 P CA -0.367 62.776 63.100 0.072 0.000 0.800 1470 P CB 0.981 32.761 31.700 0.134 0.000 0.961 1471 V N 4.843 124.767 119.914 0.017 0.000 2.370 1471 V HA 0.396 4.516 4.120 -0.000 0.000 0.283 1471 V C 0.036 176.117 176.094 -0.023 0.000 1.023 1471 V CA -0.162 62.084 62.300 -0.091 0.000 0.857 1471 V CB 0.410 32.151 31.823 -0.137 0.000 0.985 1471 V HN 0.895 nan 8.190 nan 0.000 0.443 1472 H N 2.046 121.040 119.070 -0.127 0.000 3.037 1472 H HA 0.616 5.172 4.556 -0.000 0.000 0.355 1472 H C -1.585 173.666 175.328 -0.128 0.000 1.263 1472 H CA -1.110 54.892 56.048 -0.077 0.000 1.129 1472 H CB 0.701 30.479 29.762 0.027 0.000 1.861 1472 H HN 0.372 nan 8.280 nan 0.000 0.546 1473 Y N 1.395 121.734 120.300 0.064 0.000 2.650 1473 Y HA 0.241 4.791 4.550 -0.000 0.000 0.331 1473 Y C 0.653 176.559 175.900 0.010 0.000 1.165 1473 Y CA 0.313 58.411 58.100 -0.003 0.000 1.473 1473 Y CB 0.426 38.894 38.460 0.013 0.000 1.224 1473 Y HN 0.382 nan 8.280 nan 0.000 0.533 1474 R N 4.403 124.913 120.500 0.016 0.000 2.750 1474 R HA 0.460 4.800 4.340 -0.000 0.000 0.281 1474 R C -2.943 173.343 176.300 -0.024 0.000 0.972 1474 R CA -2.326 53.765 56.100 -0.015 0.000 0.912 1474 R CB 1.486 31.710 30.300 -0.128 0.000 1.187 1474 R HN 0.315 nan 8.270 nan 0.000 0.464 1475 P HA 0.097 nan 4.420 nan 0.000 0.271 1475 P C -0.450 176.764 177.300 -0.145 0.000 1.216 1475 P CA 0.103 63.167 63.100 -0.059 0.000 0.776 1475 P CB 0.684 32.352 31.700 -0.053 0.000 0.881 1476 M N 1.695 121.212 119.600 -0.139 0.000 2.799 1476 M HA 0.343 4.823 4.480 -0.000 0.000 0.274 1476 M C 1.352 177.506 176.300 -0.243 0.000 1.137 1476 M CA -0.659 54.498 55.300 -0.239 0.000 0.897 1476 M CB -0.465 32.084 32.600 -0.085 0.000 1.567 1476 M HN 0.239 nan 8.290 nan 0.000 0.536 1477 F N 0.667 120.602 119.950 -0.026 0.000 2.202 1477 F HA -0.078 4.449 4.527 -0.000 0.000 0.301 1477 F C 2.254 178.037 175.800 -0.030 0.000 1.082 1477 F CA 1.469 59.451 58.000 -0.030 0.000 1.313 1477 F CB -0.943 38.037 39.000 -0.034 0.000 1.024 1477 F HN 0.754 nan 8.300 nan 0.000 0.495 1478 G N -0.656 108.223 108.800 0.131 0.000 2.625 1478 G HA2 0.036 3.996 3.960 -0.000 0.000 0.214 1478 G HA3 0.036 3.996 3.960 -0.000 0.000 0.214 1478 G C 1.410 176.330 174.900 0.034 0.000 1.132 1478 G CA 0.610 45.756 45.100 0.077 0.000 0.782 1478 G HN 0.431 nan 8.290 nan 0.000 0.538 1479 A N -0.275 122.548 122.820 0.006 0.000 2.503 1479 A HA 0.605 4.925 4.320 -0.000 0.000 0.263 1479 A C 0.501 178.058 177.584 -0.045 0.000 1.258 1479 A CA -0.358 51.667 52.037 -0.018 0.000 0.936 1479 A CB 0.196 19.184 19.000 -0.020 0.000 1.070 1479 A HN 0.233 nan 8.150 nan 0.000 0.522 1480 L N -0.141 121.060 121.223 -0.038 0.000 2.289 1480 L HA 0.455 4.795 4.340 -0.000 0.000 0.285 1480 L C 1.694 178.502 176.870 -0.104 0.000 1.049 1480 L CA -0.130 54.679 54.840 -0.051 0.000 0.804 1480 L CB 1.202 43.262 42.059 0.003 0.000 1.195 1480 L HN 0.530 nan 8.230 nan 0.000 0.428 1481 G N 2.378 111.092 108.800 -0.144 0.000 2.896 1481 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.412 1481 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.412 1481 G C 1.174 175.780 174.900 -0.490 0.000 0.986 1481 G CA 1.153 46.104 45.100 -0.248 0.000 0.812 1481 G HN 0.634 nan 8.290 nan 0.000 0.907 1482 S N 0.727 116.278 115.700 -0.248 0.000 2.423 1482 S HA 0.119 4.589 4.470 -0.000 0.000 0.231 1482 S C 2.727 177.296 174.600 -0.051 0.000 1.014 1482 S CA 1.672 59.798 58.200 -0.123 0.000 0.965 1482 S CB -0.450 62.770 63.200 0.034 0.000 0.785 1482 S HN 1.099 nan 8.310 nan 0.000 0.495 1483 A N 1.929 124.717 122.820 -0.053 0.000 1.933 1483 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 1483 A C 2.080 179.681 177.584 0.028 0.000 1.175 1483 A CA 1.297 53.338 52.037 0.007 0.000 0.628 1483 A CB -0.499 18.515 19.000 0.022 0.000 0.814 1483 A HN 0.414 nan 8.150 nan 0.000 0.444 1484 R N -0.735 119.727 120.500 -0.063 0.000 2.073 1484 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 1484 R C 1.975 178.296 176.300 0.035 0.000 1.134 1484 R CA 2.000 58.074 56.100 -0.044 0.000 0.952 1484 R CB -0.579 29.649 30.300 -0.120 0.000 0.850 1484 R HN 0.790 nan 8.270 nan 0.000 0.433 1485 H N -2.056 117.039 119.070 0.041 0.000 2.352 1485 H HA -0.183 4.373 4.556 -0.000 0.000 0.299 1485 H C 1.971 177.315 175.328 0.027 0.000 1.097 1485 H CA 1.663 57.723 56.048 0.019 0.000 1.311 1485 H CB -0.152 29.622 29.762 0.021 0.000 1.377 1485 H HN 0.445 nan 8.280 nan 0.000 0.504 1486 H N -0.798 118.335 119.070 0.105 0.000 2.524 1486 H HA 0.014 4.570 4.556 -0.000 0.000 0.282 1486 H C 1.134 176.479 175.328 0.029 0.000 1.016 1486 H CA 0.878 56.957 56.048 0.052 0.000 1.270 1486 H CB 0.225 30.008 29.762 0.035 0.000 1.394 1486 H HN 0.308 nan 8.280 nan 0.000 0.568 1487 C N 1.060 120.435 119.300 0.125 0.000 3.038 1487 C HA 0.276 4.736 4.460 -0.000 0.000 0.279 1487 C C 0.647 175.654 174.990 0.029 0.000 1.276 1487 C CA -0.367 58.699 59.018 0.080 0.000 1.697 1487 C CB -1.004 26.794 27.740 0.096 0.000 2.032 1487 C HN 0.527 nan 8.230 nan 0.000 0.636 1488 R N 0.141 120.645 120.500 0.007 0.000 2.892 1488 R HA 0.832 5.172 4.340 -0.000 0.000 0.265 1488 R C -1.495 174.742 176.300 -0.105 0.000 1.025 1488 R CA -0.631 55.454 56.100 -0.024 0.000 0.982 1488 R CB 0.950 31.255 30.300 0.008 0.000 1.185 1488 R HN 0.093 nan 8.270 nan 0.000 0.484 1489 L N 0.711 121.819 121.223 -0.191 0.000 2.354 1489 L HA 0.495 4.835 4.340 -0.000 0.000 0.269 1489 L C -0.603 175.995 176.870 -0.454 0.000 1.005 1489 L CA -0.964 53.644 54.840 -0.388 0.000 0.819 1489 L CB 2.705 44.369 42.059 -0.659 0.000 1.311 1489 L HN 0.744 nan 8.230 nan 0.000 0.423 1490 T N 2.106 116.416 114.554 -0.407 0.000 2.791 1490 T HA 0.495 4.845 4.350 -0.000 0.000 0.288 1490 T C -0.533 173.995 174.700 -0.287 0.000 0.999 1490 T CA -0.288 61.655 62.100 -0.262 0.000 0.952 1490 T CB 0.256 69.040 68.868 -0.139 0.000 0.938 1490 T HN 0.098 nan 8.240 nan 0.000 0.444 1491 F N 3.581 123.550 119.950 0.033 0.000 2.438 1491 F HA 0.476 5.003 4.527 -0.000 0.000 0.356 1491 F C 0.509 176.337 175.800 0.047 0.000 1.099 1491 F CA -0.753 57.276 58.000 0.049 0.000 1.185 1491 F CB 0.531 39.572 39.000 0.068 0.000 1.115 1491 F HN 0.194 nan 8.300 nan 0.000 0.526 1492 L N 2.005 123.355 121.223 0.212 0.000 2.286 1492 L HA 0.537 4.877 4.340 -0.000 0.000 0.265 1492 L C 0.032 176.985 176.870 0.138 0.000 1.012 1492 L CA -1.080 53.840 54.840 0.133 0.000 0.818 1492 L CB 2.210 44.312 42.059 0.072 0.000 1.337 1492 L HN 0.620 nan 8.230 nan 0.000 0.438 1493 S N -0.645 115.113 115.700 0.096 0.000 2.601 1493 S HA 0.187 4.657 4.470 -0.000 0.000 0.271 1493 S C 0.509 175.146 174.600 0.062 0.000 1.305 1493 S CA -0.659 57.588 58.200 0.079 0.000 1.022 1493 S CB 1.486 64.721 63.200 0.059 0.000 0.940 1493 S HN 0.670 nan 8.310 nan 0.000 0.525 1494 Q N 1.222 121.053 119.800 0.051 0.000 2.152 1494 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 1494 Q C 2.449 178.465 176.000 0.026 0.000 0.985 1494 Q CA 1.712 57.536 55.803 0.036 0.000 0.863 1494 Q CB -0.646 28.106 28.738 0.022 0.000 0.904 1494 Q HN 0.931 nan 8.270 nan 0.000 0.422 1495 A N 1.243 124.077 122.820 0.023 0.000 1.858 1495 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 1495 A C 2.358 179.952 177.584 0.017 0.000 1.190 1495 A CA 1.629 53.676 52.037 0.017 0.000 0.617 1495 A CB -0.964 18.045 19.000 0.015 0.000 0.827 1495 A HN 0.406 nan 8.150 nan 0.000 0.443 1496 A N -0.181 122.652 122.820 0.022 0.000 1.940 1496 A HA 0.120 4.439 4.320 -0.000 0.000 0.219 1496 A C 2.497 180.089 177.584 0.014 0.000 1.176 1496 A CA 2.236 54.283 52.037 0.017 0.000 0.631 1496 A CB -1.025 17.989 19.000 0.023 0.000 0.814 1496 A HN 1.085 nan 8.150 nan 0.000 0.446 1497 A N -0.078 122.754 122.820 0.021 0.000 1.877 1497 A HA 0.123 4.443 4.320 -0.000 0.000 0.216 1497 A C 2.537 180.127 177.584 0.010 0.000 1.186 1497 A CA 2.266 54.313 52.037 0.017 0.000 0.620 1497 A CB -1.116 17.901 19.000 0.029 0.000 0.822 1497 A HN 1.117 nan 8.150 nan 0.000 0.443 1498 A N 0.213 123.039 122.820 0.011 0.000 1.933 1498 A HA -0.180 4.139 4.320 -0.000 0.000 0.218 1498 A C 1.714 179.300 177.584 0.003 0.000 1.175 1498 A CA 1.720 53.760 52.037 0.006 0.000 0.628 1498 A CB -0.638 18.366 19.000 0.006 0.000 0.814 1498 A HN 0.542 nan 8.150 nan 0.000 0.444 1499 N N -0.295 118.407 118.700 0.003 0.000 2.573 1499 N HA 0.054 4.794 4.740 -0.000 0.000 0.187 1499 N C 1.108 176.616 175.510 -0.004 0.000 1.107 1499 N CA 1.085 54.135 53.050 0.000 0.000 0.918 1499 N CB -0.273 38.215 38.487 0.001 0.000 0.966 1499 N HN 0.703 nan 8.380 nan 0.000 0.448 1500 G N 0.093 108.891 108.800 -0.004 0.000 2.225 1500 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.264 1500 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.264 1500 G C 0.941 175.831 174.900 -0.015 0.000 1.060 1500 G CA 0.394 45.488 45.100 -0.010 0.000 0.833 1500 G HN 0.219 nan 8.290 nan 0.000 0.498 1501 V N -0.094 119.811 119.914 -0.014 0.000 2.407 1501 V HA -0.113 4.007 4.120 -0.000 0.000 0.248 1501 V C 3.147 179.221 176.094 -0.034 0.000 1.055 1501 V CA 2.997 65.284 62.300 -0.022 0.000 1.049 1501 V CB -0.773 31.040 31.823 -0.016 0.000 0.662 1501 V HN 0.992 nan 8.190 nan 0.000 0.455 1502 A N -0.273 122.527 122.820 -0.033 0.000 1.969 1502 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 1502 A C 2.104 179.658 177.584 -0.049 0.000 1.169 1502 A CA 1.737 53.746 52.037 -0.047 0.000 0.635 1502 A CB -0.335 18.638 19.000 -0.045 0.000 0.810 1502 A HN 0.545 nan 8.150 nan 0.000 0.445 1503 E N -0.598 119.579 120.200 -0.037 0.000 2.076 1503 E HA -0.032 4.318 4.350 -0.000 0.000 0.190 1503 E C 2.130 178.708 176.600 -0.036 0.000 0.979 1503 E CA 0.984 57.363 56.400 -0.035 0.000 0.807 1503 E CB -0.254 29.431 29.700 -0.025 0.000 0.761 1503 E HN 0.613 nan 8.360 nan 0.000 0.454 1504 R N 0.340 120.819 120.500 -0.035 0.000 2.066 1504 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 1504 R C 1.877 178.148 176.300 -0.048 0.000 1.131 1504 R CA 1.041 57.120 56.100 -0.035 0.000 0.955 1504 R CB -0.176 30.106 30.300 -0.030 0.000 0.851 1504 R HN 0.183 nan 8.270 nan 0.000 0.432 1505 L N 0.532 121.719 121.223 -0.059 0.000 2.478 1505 L HA 0.004 4.344 4.340 -0.000 0.000 0.223 1505 L C 0.650 177.471 176.870 -0.081 0.000 1.140 1505 L CA 0.323 55.115 54.840 -0.079 0.000 0.842 1505 L CB -0.419 41.586 42.059 -0.091 0.000 0.953 1505 L HN 0.465 nan 8.230 nan 0.000 0.452 1506 N N 1.074 119.731 118.700 -0.071 0.000 2.756 1506 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 1506 N C -0.452 174.997 175.510 -0.102 0.000 1.062 1506 N CA -0.130 52.875 53.050 -0.074 0.000 0.696 1506 N CB -0.443 38.005 38.487 -0.064 0.000 0.946 1506 N HN 0.036 nan 8.380 nan 0.000 0.548 1507 L N 1.396 122.554 121.223 -0.109 0.000 2.455 1507 L HA 0.082 4.422 4.340 -0.000 0.000 0.272 1507 L C 1.799 178.565 176.870 -0.173 0.000 1.174 1507 L CA 0.759 55.513 54.840 -0.143 0.000 0.869 1507 L CB 0.905 42.892 42.059 -0.120 0.000 1.130 1507 L HN 0.153 nan 8.230 nan 0.000 0.474 1508 R N 0.358 120.689 120.500 -0.282 0.000 2.254 1508 R HA 0.183 4.523 4.340 -0.000 0.000 0.195 1508 R C 0.578 176.715 176.300 -0.272 0.000 0.957 1508 R CA 0.133 56.028 56.100 -0.343 0.000 1.024 1508 R CB 0.076 29.987 30.300 -0.648 0.000 0.952 1508 R HN 0.624 nan 8.270 nan 0.000 0.484 1509 S N 0.112 115.672 115.700 -0.233 0.000 2.655 1509 S HA 0.564 5.034 4.470 -0.000 0.000 0.265 1509 S C 0.114 174.648 174.600 -0.110 0.000 1.240 1509 S CA -0.534 57.602 58.200 -0.106 0.000 0.986 1509 S CB 1.114 64.267 63.200 -0.077 0.000 0.985 1509 S HN 0.355 nan 8.310 nan 0.000 0.562 1510 A N 1.094 123.842 122.820 -0.119 0.000 2.407 1510 A HA 0.483 4.803 4.320 -0.000 0.000 0.248 1510 A C -0.252 177.241 177.584 -0.151 0.000 1.082 1510 A CA -0.169 51.784 52.037 -0.141 0.000 0.785 1510 A CB -0.187 18.710 19.000 -0.172 0.000 1.020 1510 A HN 0.573 nan 8.150 nan 0.000 0.489 1511 I N 0.908 121.407 120.570 -0.119 0.000 2.441 1511 I HA 0.595 4.765 4.170 -0.000 0.000 0.295 1511 I C 0.479 176.548 176.117 -0.080 0.000 0.994 1511 I CA -0.121 61.115 61.300 -0.107 0.000 1.144 1511 I CB 1.139 39.105 38.000 -0.057 0.000 1.314 1511 I HN 0.746 nan 8.210 nan 0.000 0.445 1512 A N 6.105 128.873 122.820 -0.086 0.000 2.401 1512 A HA 0.834 5.154 4.320 -0.000 0.000 0.310 1512 A C -1.077 176.641 177.584 0.224 0.000 1.075 1512 A CA -0.521 51.553 52.037 0.061 0.000 0.746 1512 A CB 1.826 20.820 19.000 -0.010 0.000 1.277 1512 A HN 0.380 nan 8.150 nan 0.000 0.425 1513 V N 1.725 121.822 119.914 0.306 0.000 2.628 1513 V HA 0.550 4.670 4.120 -0.000 0.000 0.306 1513 V C 0.209 176.515 176.094 0.354 0.000 1.045 1513 V CA -0.549 61.914 62.300 0.270 0.000 0.905 1513 V CB 1.712 33.623 31.823 0.147 0.000 0.997 1513 V HN 1.059 nan 8.190 nan 0.000 0.436 1514 V N 2.642 122.712 119.914 0.260 0.000 2.607 1514 V HA 0.802 4.922 4.120 -0.000 0.000 0.289 1514 V C -0.400 175.749 176.094 0.090 0.000 1.053 1514 V CA -0.454 61.970 62.300 0.208 0.000 0.996 1514 V CB 0.926 32.828 31.823 0.132 0.000 0.995 1514 V HN 1.062 nan 8.190 nan 0.000 0.476 1515 K N 2.262 122.685 120.400 0.037 0.000 2.578 1515 K HA 0.706 5.026 4.320 -0.000 0.000 0.269 1515 K C 0.075 176.655 176.600 -0.033 0.000 0.941 1515 K CA -0.541 55.724 56.287 -0.036 0.000 0.847 1515 K CB 1.510 33.937 32.500 -0.121 0.000 1.397 1515 K HN 1.917 nan 8.250 nan 0.000 0.422 1516 G N 0.861 109.641 108.800 -0.033 0.000 2.142 1516 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.225 1516 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.225 1516 G C 0.549 175.429 174.900 -0.033 0.000 1.015 1516 G CA 0.078 45.159 45.100 -0.032 0.000 0.716 1516 G HN 0.666 nan 8.290 nan 0.000 0.508 1517 C N -0.233 119.046 119.300 -0.034 0.000 2.485 1517 C HA 0.131 4.591 4.460 -0.000 0.000 0.278 1517 C C 2.627 177.577 174.990 -0.066 0.000 1.356 1517 C CA 1.133 60.116 59.018 -0.058 0.000 1.747 1517 C CB -0.458 27.252 27.740 -0.051 0.000 2.001 1517 C HN 0.599 nan 8.230 nan 0.000 0.501 1518 R N 1.241 121.712 120.500 -0.049 0.000 2.161 1518 R HA -0.017 4.323 4.340 -0.000 0.000 0.213 1518 R C 1.991 178.264 176.300 -0.044 0.000 1.055 1518 R CA 1.657 57.729 56.100 -0.046 0.000 0.996 1518 R CB -1.482 28.797 30.300 -0.035 0.000 0.901 1518 R HN 0.690 nan 8.270 nan 0.000 0.456 1519 T N -0.528 114.002 114.554 -0.041 0.000 3.081 1519 T HA 0.074 4.424 4.350 -0.000 0.000 0.255 1519 T C 1.241 175.916 174.700 -0.041 0.000 1.113 1519 T CA -0.023 62.054 62.100 -0.037 0.000 1.082 1519 T CB -0.487 68.363 68.868 -0.031 0.000 0.939 1519 T HN 0.023 nan 8.240 nan 0.000 0.506 1520 V N 1.281 121.164 119.914 -0.052 0.000 2.811 1520 V HA 0.545 4.665 4.120 -0.000 0.000 0.302 1520 V C -0.360 175.698 176.094 -0.060 0.000 1.063 1520 V CA -1.047 61.218 62.300 -0.058 0.000 1.088 1520 V CB 0.651 32.429 31.823 -0.075 0.000 0.982 1520 V HN 0.701 nan 8.190 nan 0.000 0.485 1521 Q N 1.558 121.324 119.800 -0.055 0.000 2.553 1521 Q HA 0.500 4.840 4.340 -0.000 0.000 0.293 1521 Q C 0.341 176.310 176.000 -0.051 0.000 1.038 1521 Q CA -1.079 54.695 55.803 -0.049 0.000 0.777 1521 Q CB 1.622 30.340 28.738 -0.034 0.000 1.487 1521 Q HN 0.399 nan 8.270 nan 0.000 0.426 1522 K N 0.961 121.335 120.400 -0.043 0.000 2.127 1522 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 1522 K C 1.745 178.325 176.600 -0.034 0.000 1.047 1522 K CA 2.609 58.872 56.287 -0.041 0.000 0.927 1522 K CB -0.868 31.617 32.500 -0.026 0.000 0.716 1522 K HN 0.678 nan 8.250 nan 0.000 0.450 1523 A N 0.413 123.216 122.820 -0.028 0.000 2.067 1523 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 1523 A C 1.410 178.974 177.584 -0.033 0.000 1.158 1523 A CA 1.796 53.820 52.037 -0.023 0.000 0.661 1523 A CB -0.377 18.612 19.000 -0.017 0.000 0.801 1523 A HN 0.393 nan 8.150 nan 0.000 0.452 1524 D N -0.415 119.958 120.400 -0.044 0.000 2.347 1524 D HA 0.018 4.658 4.640 -0.000 0.000 0.213 1524 D C 0.363 176.616 176.300 -0.078 0.000 0.985 1524 D CA 0.321 54.286 54.000 -0.057 0.000 0.879 1524 D CB -0.126 40.640 40.800 -0.056 0.000 0.919 1524 D HN 0.281 nan 8.370 nan 0.000 0.526 1525 M N 1.836 121.393 119.600 -0.073 0.000 2.350 1525 M HA 0.045 4.525 4.480 -0.000 0.000 0.338 1525 M C -0.051 176.189 176.300 -0.099 0.000 1.559 1525 M CA -0.182 55.067 55.300 -0.084 0.000 1.217 1525 M CB 0.288 32.849 32.600 -0.065 0.000 1.808 1525 M HN -0.314 nan 8.290 nan 0.000 0.458 1526 V N 6.499 126.312 119.914 -0.168 0.000 2.555 1526 V HA -0.149 3.971 4.120 -0.000 0.000 0.299 1526 V C 1.283 177.270 176.094 -0.179 0.000 1.012 1526 V CA 0.605 62.731 62.300 -0.291 0.000 1.180 1526 V CB -1.107 30.450 31.823 -0.443 0.000 0.887 1526 V HN 0.898 nan 8.190 nan 0.000 0.476 1527 H N 2.357 121.442 119.070 0.024 0.000 3.612 1527 H HA -0.162 4.394 4.556 -0.000 0.000 0.212 1527 H C 0.616 175.967 175.328 0.038 0.000 1.041 1527 H CA 1.421 57.508 56.048 0.065 0.000 1.205 1527 H CB -1.183 28.539 29.762 -0.067 0.000 1.159 1527 H HN 0.861 nan 8.280 nan 0.000 0.323 1528 N N 0.277 119.027 118.700 0.084 0.000 2.733 1528 N HA 0.160 4.900 4.740 -0.000 0.000 0.271 1528 N C 0.176 175.700 175.510 0.024 0.000 1.720 1528 N CA 0.640 53.718 53.050 0.046 0.000 0.803 1528 N CB 1.120 39.612 38.487 0.007 0.000 1.208 1528 N HN 0.287 nan 8.380 nan 0.000 0.498 1529 S N -0.725 114.999 115.700 0.041 0.000 2.650 1529 S HA 0.142 4.612 4.470 -0.000 0.000 0.240 1529 S C 0.385 174.999 174.600 0.024 0.000 1.007 1529 S CA -0.399 57.813 58.200 0.019 0.000 0.984 1529 S CB 0.314 63.524 63.200 0.016 0.000 0.910 1529 S HN 0.247 nan 8.310 nan 0.000 0.509 1530 L N 2.830 124.076 121.223 0.037 0.000 2.455 1530 L HA 0.315 4.655 4.340 -0.000 0.000 0.272 1530 L C -0.201 176.681 176.870 0.021 0.000 1.174 1530 L CA 0.962 55.822 54.840 0.033 0.000 0.869 1530 L CB 0.398 42.485 42.059 0.045 0.000 1.130 1530 L HN 0.305 nan 8.230 nan 0.000 0.474 1531 Q N 7.038 126.842 119.800 0.007 0.000 2.523 1531 Q HA 0.406 4.746 4.340 -0.000 0.000 0.251 1531 Q C -2.259 173.734 176.000 -0.013 0.000 1.033 1531 Q CA -1.704 54.094 55.803 -0.009 0.000 0.746 1531 Q CB 1.270 29.990 28.738 -0.029 0.000 1.189 1531 Q HN 0.542 nan 8.270 nan 0.000 0.508 1532 P HA 0.100 nan 4.420 nan 0.000 0.281 1532 P C -0.692 176.598 177.300 -0.017 0.000 1.249 1532 P CA -0.565 62.535 63.100 0.000 0.000 0.810 1532 P CB 0.947 32.658 31.700 0.019 0.000 1.008 1533 N N 2.109 120.798 118.700 -0.017 0.000 2.807 1533 N HA 0.167 4.907 4.740 -0.000 0.000 0.259 1533 N C -0.618 174.887 175.510 -0.008 0.000 1.149 1533 N CA -0.240 52.795 53.050 -0.024 0.000 1.042 1533 N CB -0.957 37.517 38.487 -0.022 0.000 1.367 1533 N HN 0.402 nan 8.380 nan 0.000 0.516 1534 I N 2.265 122.835 120.570 -0.000 0.000 2.392 1534 I HA 0.433 4.603 4.170 -0.000 0.000 0.295 1534 I C -0.445 175.684 176.117 0.020 0.000 0.985 1534 I CA -0.344 60.966 61.300 0.017 0.000 1.221 1534 I CB 1.061 39.084 38.000 0.039 0.000 1.366 1534 I HN 0.455 nan 8.210 nan 0.000 0.467 1535 T N 4.042 118.608 114.554 0.020 0.000 2.900 1535 T HA 0.678 5.028 4.350 -0.000 0.000 0.295 1535 T C -0.825 173.891 174.700 0.027 0.000 1.044 1535 T CA -0.727 61.385 62.100 0.020 0.000 0.995 1535 T CB 1.881 70.755 68.868 0.010 0.000 1.072 1535 T HN 0.256 nan 8.240 nan 0.000 0.473 1536 V N 1.848 121.781 119.914 0.031 0.000 2.540 1536 V HA 0.409 4.529 4.120 -0.000 0.000 0.302 1536 V C -0.316 175.807 176.094 0.049 0.000 1.035 1536 V CA -0.896 61.432 62.300 0.047 0.000 0.873 1536 V CB 1.792 33.647 31.823 0.053 0.000 0.992 1536 V HN 1.057 nan 8.190 nan 0.000 0.428 1537 D N 3.482 123.920 120.400 0.063 0.000 2.339 1537 D HA 0.246 4.886 4.640 -0.000 0.000 0.256 1537 D C 1.098 177.457 176.300 0.099 0.000 1.214 1537 D CA 0.283 54.313 54.000 0.049 0.000 0.877 1537 D CB 2.085 42.898 40.800 0.022 0.000 1.111 1537 D HN 0.682 nan 8.370 nan 0.000 0.478 1538 A N 4.167 127.023 122.820 0.060 0.000 2.084 1538 A HA -0.256 4.064 4.320 -0.000 0.000 0.221 1538 A C 1.825 179.477 177.584 0.113 0.000 1.161 1538 A CA 1.639 53.729 52.037 0.088 0.000 0.653 1538 A CB -0.034 18.963 19.000 -0.006 0.000 0.802 1538 A HN 0.691 nan 8.150 nan 0.000 0.457 1539 Q N -1.572 118.220 119.800 -0.014 0.000 2.252 1539 Q HA 0.004 4.344 4.340 -0.000 0.000 0.195 1539 Q C 2.158 177.888 176.000 -0.451 0.000 0.974 1539 Q CA 1.364 57.069 55.803 -0.164 0.000 0.846 1539 Q CB -0.279 28.392 28.738 -0.113 0.000 0.943 1539 Q HN 0.693 nan 8.270 nan 0.000 0.516 1540 T N -2.284 112.105 114.554 -0.275 0.000 3.085 1540 T HA -0.064 4.285 4.350 -0.000 0.000 0.263 1540 T C -0.152 174.430 174.700 -0.195 0.000 1.127 1540 T CA 0.245 62.175 62.100 -0.284 0.000 1.103 1540 T CB -0.138 68.660 68.868 -0.117 0.000 0.921 1540 T HN 0.291 nan 8.240 nan 0.000 0.510 1541 Y N 0.405 120.698 120.300 -0.010 0.000 4.753 1541 Y HA -0.199 4.351 4.550 -0.000 0.000 0.232 1541 Y C 0.314 176.203 175.900 -0.018 0.000 1.029 1541 Y CA -0.274 57.819 58.100 -0.011 0.000 1.996 1541 Y CB -2.969 35.484 38.460 -0.012 0.000 1.602 1541 Y HN 0.526 nan 8.280 nan 0.000 0.621 1542 E N 0.211 120.473 120.200 0.105 0.000 2.384 1542 E HA 0.361 4.711 4.350 -0.000 0.000 0.266 1542 E C -0.003 176.623 176.600 0.044 0.000 1.012 1542 E CA -0.166 56.264 56.400 0.051 0.000 0.901 1542 E CB 1.118 30.830 29.700 0.020 0.000 0.967 1542 E HN 0.026 nan 8.360 nan 0.000 0.435 1543 V N 4.532 124.460 119.914 0.023 0.000 2.427 1543 V HA 0.360 4.480 4.120 -0.000 0.000 0.286 1543 V C 0.104 176.203 176.094 0.008 0.000 1.034 1543 V CA -0.442 61.867 62.300 0.015 0.000 0.893 1543 V CB 1.113 32.935 31.823 -0.002 0.000 0.982 1543 V HN 0.604 nan 8.190 nan 0.000 0.452 1544 R N 3.088 123.594 120.500 0.011 0.000 2.628 1544 R HA 0.724 5.064 4.340 -0.000 0.000 0.288 1544 R C -1.682 174.622 176.300 0.007 0.000 0.980 1544 R CA -0.720 55.385 56.100 0.007 0.000 0.891 1544 R CB 2.603 32.906 30.300 0.006 0.000 1.188 1544 R HN 0.489 nan 8.270 nan 0.000 0.450 1545 V N 3.546 123.463 119.914 0.005 0.000 2.378 1545 V HA 0.154 4.274 4.120 -0.000 0.000 0.288 1545 V C -0.238 175.858 176.094 0.003 0.000 1.016 1545 V CA -0.431 61.872 62.300 0.005 0.000 0.840 1545 V CB 1.400 33.227 31.823 0.006 0.000 0.994 1545 V HN 0.864 nan 8.190 nan 0.000 0.431 1546 D N 4.439 124.839 120.400 0.000 0.000 2.870 1546 D HA -0.203 4.437 4.640 -0.000 0.000 0.228 1546 D C 1.348 177.648 176.300 -0.001 0.000 1.147 1546 D CA 1.738 55.737 54.000 -0.001 0.000 0.757 1546 D CB -1.132 39.668 40.800 -0.001 0.000 1.091 1546 D HN 1.310 nan 8.370 nan 0.000 0.429 1547 G N 0.016 108.816 108.800 0.000 0.000 2.320 1547 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.242 1547 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.242 1547 G C 0.189 175.090 174.900 0.001 0.000 1.033 1547 G CA 0.801 45.901 45.100 0.000 0.000 0.620 1547 G HN 0.743 nan 8.290 nan 0.000 0.517 1548 E N 1.297 121.498 120.200 0.002 0.000 2.373 1548 E HA 0.505 4.855 4.350 -0.000 0.000 0.267 1548 E C 0.078 176.680 176.600 0.003 0.000 1.032 1548 E CA -0.862 55.540 56.400 0.003 0.000 0.889 1548 E CB 1.332 31.035 29.700 0.004 0.000 0.984 1548 E HN 0.400 nan 8.360 nan 0.000 0.425 1549 L N 4.047 125.272 121.223 0.004 0.000 2.367 1549 L HA 0.222 4.562 4.340 -0.000 0.000 0.275 1549 L C -0.777 176.094 176.870 0.003 0.000 1.129 1549 L CA -0.252 54.590 54.840 0.003 0.000 0.839 1549 L CB 0.737 42.799 42.059 0.004 0.000 1.133 1549 L HN 0.577 nan 8.230 nan 0.000 0.453 1550 I N 4.676 125.244 120.570 -0.002 0.000 2.354 1550 I HA 0.548 4.718 4.170 -0.000 0.000 0.292 1550 I C 0.248 176.357 176.117 -0.013 0.000 0.989 1550 I CA -0.121 61.175 61.300 -0.008 0.000 1.188 1550 I CB 0.973 38.963 38.000 -0.017 0.000 1.342 1550 I HN 0.684 nan 8.210 nan 0.000 0.457 1551 T N 3.969 118.520 114.554 -0.005 0.000 2.722 1551 T HA 0.613 4.963 4.350 -0.000 0.000 0.314 1551 T C -1.237 173.481 174.700 0.030 0.000 1.675 1551 T CA -0.352 61.747 62.100 -0.001 0.000 1.003 1551 T CB 1.312 70.185 68.868 0.008 0.000 1.602 1551 T HN 0.801 nan 8.240 nan 0.000 0.496 1552 S N 1.135 116.876 115.700 0.068 0.000 2.656 1552 S HA 0.804 5.274 4.470 -0.000 0.000 0.273 1552 S C -1.649 173.087 174.600 0.227 0.000 1.168 1552 S CA -1.014 57.260 58.200 0.123 0.000 0.817 1552 S CB 2.020 65.296 63.200 0.127 0.000 1.146 1552 S HN 0.659 nan 8.310 nan 0.000 0.475 1553 E N 1.688 121.989 120.200 0.168 0.000 2.214 1553 E HA 0.495 4.845 4.350 -0.000 0.000 0.274 1553 E C -2.642 173.923 176.600 -0.058 0.000 0.977 1553 E CA -2.284 54.181 56.400 0.108 0.000 0.827 1553 E CB 1.519 31.239 29.700 0.033 0.000 1.130 1553 E HN 0.477 nan 8.360 nan 0.000 0.394 1554 P HA 0.131 nan 4.420 nan 0.000 0.276 1554 P C -0.886 176.233 177.300 -0.303 0.000 1.235 1554 P CA -0.211 62.438 63.100 -0.753 0.000 0.772 1554 P CB 0.810 31.899 31.700 -1.017 0.000 0.871 1555 A N 3.562 126.260 122.820 -0.203 0.000 2.388 1555 A HA 0.219 4.539 4.320 -0.000 0.000 0.257 1555 A C 1.255 178.792 177.584 -0.078 0.000 1.095 1555 A CA -0.415 51.572 52.037 -0.084 0.000 0.791 1555 A CB 0.107 19.098 19.000 -0.014 0.000 1.029 1555 A HN 0.650 nan 8.150 nan 0.000 0.489 1556 D N 0.809 121.183 120.400 -0.043 0.000 2.301 1556 D HA 0.083 4.723 4.640 -0.000 0.000 0.206 1556 D C 0.148 176.441 176.300 -0.011 0.000 0.979 1556 D CA 0.635 54.615 54.000 -0.033 0.000 0.874 1556 D CB -0.024 40.761 40.800 -0.026 0.000 0.968 1556 D HN 0.211 nan 8.370 nan 0.000 0.510 1557 V N 0.748 120.665 119.914 0.005 0.000 2.888 1557 V HA 0.458 4.578 4.120 -0.000 0.000 0.309 1557 V C -0.603 175.508 176.094 0.029 0.000 1.114 1557 V CA -0.903 61.406 62.300 0.015 0.000 0.940 1557 V CB 2.707 34.539 31.823 0.014 0.000 1.021 1557 V HN 0.042 nan 8.190 nan 0.000 0.426 1558 L N 3.457 124.692 121.223 0.021 0.000 2.350 1558 L HA 0.673 5.013 4.340 -0.000 0.000 0.260 1558 L C -2.578 174.277 176.870 -0.025 0.000 1.015 1558 L CA -1.726 53.119 54.840 0.009 0.000 0.821 1558 L CB 2.930 45.006 42.059 0.028 0.000 1.370 1558 L HN 0.460 nan 8.230 nan 0.000 0.416 1559 P HA 0.402 nan 4.420 nan 0.000 0.282 1559 P C -0.423 176.903 177.300 0.044 0.000 1.287 1559 P CA -0.590 62.459 63.100 -0.085 0.000 0.792 1559 P CB 0.438 31.970 31.700 -0.280 0.000 1.163 1560 M N -2.558 117.144 119.600 0.170 0.000 2.302 1560 M HA -0.273 4.207 4.480 -0.000 0.000 0.200 1560 M C 0.211 176.708 176.300 0.329 0.000 0.366 1560 M CA 0.799 56.203 55.300 0.174 0.000 0.440 1560 M CB -2.300 30.295 32.600 -0.008 0.000 1.475 1560 M HN 0.486 nan 8.290 nan 0.000 0.905 1561 A N -0.263 122.778 122.820 0.368 0.000 2.677 1561 A HA 0.320 4.640 4.320 -0.000 0.000 0.197 1561 A C 1.007 178.813 177.584 0.369 0.000 1.471 1561 A CA 0.196 52.437 52.037 0.340 0.000 1.527 1561 A CB 0.044 19.137 19.000 0.155 0.000 1.695 1561 A HN 0.434 nan 8.150 nan 0.000 0.557 1562 Q N -0.231 119.682 119.800 0.188 0.000 2.443 1562 Q HA -0.137 4.203 4.340 -0.000 0.000 0.213 1562 Q C 1.878 177.901 176.000 0.038 0.000 0.982 1562 Q CA 1.348 57.226 55.803 0.125 0.000 0.894 1562 Q CB -0.120 28.652 28.738 0.056 0.000 0.947 1562 Q HN 0.527 nan 8.270 nan 0.000 0.480 1563 R N -0.671 119.803 120.500 -0.042 0.000 2.200 1563 R HA -0.081 4.259 4.340 -0.000 0.000 0.208 1563 R C 0.681 176.691 176.300 -0.485 0.000 1.033 1563 R CA 0.845 56.756 56.100 -0.314 0.000 1.000 1563 R CB 0.337 30.330 30.300 -0.511 0.000 0.906 1563 R HN 0.275 nan 8.270 nan 0.000 0.462 1564 Y N -1.941 118.318 120.300 -0.068 0.000 2.444 1564 Y HA 0.269 4.819 4.550 -0.000 0.000 0.252 1564 Y C -0.169 175.488 175.900 -0.404 0.000 1.091 1564 Y CA -0.497 57.464 58.100 -0.231 0.000 1.276 1564 Y CB 0.591 38.822 38.460 -0.382 0.000 1.170 1564 Y HN -0.164 nan 8.280 nan 0.000 0.517 1565 F N -0.184 119.872 119.950 0.177 0.000 2.450 1565 F HA 0.285 4.812 4.527 -0.000 0.000 0.332 1565 F C 0.765 176.579 175.800 0.024 0.000 1.093 1565 F CA -0.875 57.197 58.000 0.121 0.000 1.003 1565 F CB 1.500 40.575 39.000 0.126 0.000 1.151 1565 F HN -0.218 nan 8.300 nan 0.000 0.474 1566 L N 2.057 123.385 121.223 0.175 0.000 2.217 1566 L HA 0.190 4.530 4.340 -0.000 0.000 0.211 1566 L C -0.476 176.171 176.870 -0.371 0.000 1.107 1566 L CA 1.702 56.471 54.840 -0.117 0.000 0.783 1566 L CB -0.326 41.656 42.059 -0.128 0.000 0.919 1566 L HN 0.453 nan 8.230 nan 0.000 0.442 1567 F N 0.000 120.043 119.950 0.156 0.000 2.286 1567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1567 F CA 0.000 58.050 58.000 0.084 0.000 1.383 1567 F CB 0.000 39.031 39.000 0.051 0.000 1.145 1567 F HN 0.000 nan 8.300 nan 0.000 0.574