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 1eju_1_C 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 HLDMLMXXXX XXXXXXXXXA 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 0.000 174.615 174.600 0.024 0.000 1.055 1002 S CA 0.000 58.217 58.200 0.029 0.000 1.107 1002 S CB 0.000 63.225 63.200 0.041 0.000 0.593 1003 N N 1.568 120.282 118.700 0.023 0.000 2.321 1003 N HA 0.711 5.451 4.740 -0.000 0.000 0.290 1003 N C -1.536 173.994 175.510 0.032 0.000 1.212 1003 N CA -0.596 52.461 53.050 0.011 0.000 0.767 1003 N CB 2.257 40.743 38.487 -0.001 0.000 1.494 1003 N HN 0.673 nan 8.380 nan 0.000 0.479 1004 I N 0.584 121.171 120.570 0.028 0.000 2.722 1004 I HA 0.158 4.328 4.170 -0.000 0.000 0.292 1004 I C -0.232 175.912 176.117 0.045 0.000 1.267 1004 I CA -0.435 60.907 61.300 0.071 0.000 1.036 1004 I CB 1.827 39.925 38.000 0.163 0.000 1.281 1004 I HN 0.637 nan 8.210 nan 0.000 0.423 1005 S N 6.086 121.818 115.700 0.053 0.000 2.572 1005 S HA 0.281 4.751 4.470 -0.000 0.000 0.279 1005 S C 0.997 175.636 174.600 0.066 0.000 1.341 1005 S CA -0.332 57.889 58.200 0.036 0.000 1.043 1005 S CB 1.345 64.566 63.200 0.035 0.000 0.887 1005 S HN 0.822 nan 8.310 nan 0.000 0.516 1006 R N 0.568 121.084 120.500 0.026 0.000 2.152 1006 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 1006 R C 2.312 178.686 176.300 0.123 0.000 1.117 1006 R CA 1.462 57.590 56.100 0.046 0.000 0.981 1006 R CB -0.347 29.945 30.300 -0.013 0.000 0.870 1006 R HN 0.769 nan 8.270 nan 0.000 0.451 1007 Q N 0.799 120.652 119.800 0.088 0.000 2.049 1007 Q HA -0.027 4.313 4.340 -0.000 0.000 0.198 1007 Q C 1.940 177.998 176.000 0.096 0.000 0.971 1007 Q CA 1.974 57.828 55.803 0.085 0.000 0.833 1007 Q CB -0.257 28.512 28.738 0.053 0.000 0.896 1007 Q HN 0.276 nan 8.270 nan 0.000 0.434 1008 A N -0.649 122.227 122.820 0.093 0.000 1.933 1008 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 1008 A C 2.043 179.689 177.584 0.104 0.000 1.175 1008 A CA 1.459 53.539 52.037 0.073 0.000 0.628 1008 A CB -1.035 18.006 19.000 0.068 0.000 0.814 1008 A HN 0.612 nan 8.150 nan 0.000 0.444 1009 Y N 0.484 120.834 120.300 0.083 0.000 2.145 1009 Y HA -0.095 4.455 4.550 -0.000 0.000 0.286 1009 Y C 2.677 178.686 175.900 0.182 0.000 1.145 1009 Y CA 1.499 59.715 58.100 0.192 0.000 1.148 1009 Y CB -0.428 38.120 38.460 0.146 0.000 0.981 1009 Y HN 0.309 nan 8.280 nan 0.000 0.507 1010 A N -0.030 122.970 122.820 0.300 0.000 1.940 1010 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 1010 A C 1.797 179.413 177.584 0.053 0.000 1.176 1010 A CA 2.097 54.254 52.037 0.200 0.000 0.631 1010 A CB -0.776 18.329 19.000 0.175 0.000 0.814 1010 A HN 0.551 nan 8.150 nan 0.000 0.446 1011 D N -1.293 119.111 120.400 0.006 0.000 2.183 1011 D HA -0.048 4.592 4.640 -0.000 0.000 0.203 1011 D C 1.863 178.064 176.300 -0.165 0.000 0.969 1011 D CA 1.035 55.004 54.000 -0.052 0.000 0.842 1011 D CB -0.167 40.610 40.800 -0.039 0.000 0.957 1011 D HN 0.496 nan 8.370 nan 0.000 0.484 1012 M N -1.417 117.995 119.600 -0.312 0.000 2.357 1012 M HA 0.052 4.532 4.480 -0.000 0.000 0.266 1012 M C 0.476 176.209 176.300 -0.945 0.000 1.095 1012 M CA 1.038 55.919 55.300 -0.698 0.000 1.156 1012 M CB 0.400 32.408 32.600 -0.986 0.000 1.365 1012 M HN -0.103 nan 8.290 nan 0.000 0.447 1013 F N -0.308 119.473 119.950 -0.282 0.000 2.746 1013 F HA 0.471 4.997 4.527 -0.000 0.000 0.320 1013 F C 0.855 176.607 175.800 -0.080 0.000 1.097 1013 F CA 0.073 57.934 58.000 -0.233 0.000 1.195 1013 F CB 0.331 39.056 39.000 -0.458 0.000 1.056 1013 F HN 0.213 nan 8.300 nan 0.000 0.562 1014 G N 1.610 110.454 108.800 0.073 0.000 2.712 1014 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.683 1014 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.683 1014 G C -2.985 172.040 174.900 0.209 0.000 1.320 1014 G CA -1.313 43.862 45.100 0.125 0.000 0.847 1014 G HN -0.050 nan 8.290 nan 0.000 0.553 1015 P HA 0.418 nan 4.420 nan 0.000 0.272 1015 P C 0.110 177.562 177.300 0.254 0.000 1.230 1015 P CA 0.493 63.719 63.100 0.210 0.000 0.788 1015 P CB 1.604 33.387 31.700 0.139 0.000 0.949 1016 T N -0.196 114.502 114.554 0.240 0.000 2.773 1016 T HA 0.287 4.637 4.350 -0.000 0.000 0.278 1016 T C -0.419 174.362 174.700 0.136 0.000 1.011 1016 T CA -0.788 61.445 62.100 0.221 0.000 1.014 1016 T CB 0.638 69.651 68.868 0.242 0.000 1.293 1016 T HN 0.102 nan 8.240 nan 0.000 0.554 1017 V N 2.193 122.183 119.914 0.126 0.000 2.583 1017 V HA 0.317 4.437 4.120 -0.000 0.000 0.302 1017 V C 1.866 177.996 176.094 0.061 0.000 1.033 1017 V CA 1.728 64.081 62.300 0.088 0.000 1.194 1017 V CB -0.176 31.700 31.823 0.088 0.000 0.879 1017 V HN 1.334 nan 8.190 nan 0.000 0.482 1018 G N 3.680 112.511 108.800 0.052 0.000 2.234 1018 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.235 1018 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.235 1018 G C -0.071 174.852 174.900 0.039 0.000 0.997 1018 G CA 0.047 45.168 45.100 0.035 0.000 0.623 1018 G HN 0.674 nan 8.290 nan 0.000 0.514 1019 D N 1.283 121.719 120.400 0.060 0.000 2.304 1019 D HA 0.565 5.205 4.640 -0.000 0.000 0.247 1019 D C 0.554 176.908 176.300 0.090 0.000 1.089 1019 D CA 0.300 54.346 54.000 0.075 0.000 0.910 1019 D CB 1.085 41.944 40.800 0.099 0.000 1.199 1019 D HN 0.396 nan 8.370 nan 0.000 0.426 1020 K N 0.300 120.773 120.400 0.123 0.000 2.208 1020 K HA 0.686 5.006 4.320 -0.000 0.000 0.247 1020 K C -0.968 175.806 176.600 0.291 0.000 0.953 1020 K CA -0.969 55.444 56.287 0.209 0.000 0.837 1020 K CB 2.241 34.874 32.500 0.222 0.000 1.131 1020 K HN 0.088 nan 8.250 nan 0.000 0.431 1021 V N 1.618 121.673 119.914 0.235 0.000 2.760 1021 V HA 0.387 4.507 4.120 -0.000 0.000 0.309 1021 V C -0.490 175.444 176.094 -0.267 0.000 1.077 1021 V CA -1.032 61.283 62.300 0.024 0.000 0.910 1021 V CB 1.749 33.533 31.823 -0.066 0.000 1.008 1021 V HN 0.698 nan 8.190 nan 0.000 0.424 1022 R N 3.652 123.728 120.500 -0.706 0.000 2.390 1022 R HA 0.517 4.857 4.340 -0.000 0.000 0.291 1022 R C -0.978 174.944 176.300 -0.630 0.000 1.070 1022 R CA -0.565 54.858 56.100 -1.129 0.000 1.014 1022 R CB 0.672 30.151 30.300 -1.368 0.000 1.007 1022 R HN 0.719 nan 8.270 nan 0.000 0.466 1023 L N 6.112 126.980 121.223 -0.591 0.000 2.295 1023 L HA 0.233 4.573 4.340 -0.000 0.000 0.288 1023 L C 1.136 177.810 176.870 -0.327 0.000 1.079 1023 L CA 0.247 54.780 54.840 -0.511 0.000 0.830 1023 L CB 0.585 42.252 42.059 -0.654 0.000 1.200 1023 L HN 1.102 nan 8.230 nan 0.000 0.438 1024 A N 4.075 126.759 122.820 -0.227 0.000 5.483 1024 A HA -0.315 4.005 4.320 -0.000 0.000 0.309 1024 A C 0.806 178.299 177.584 -0.151 0.000 1.898 1024 A CA 1.419 53.365 52.037 -0.151 0.000 0.716 1024 A CB -1.084 17.818 19.000 -0.163 0.000 1.309 1024 A HN 0.950 nan 8.150 nan 0.000 0.380 1025 D N 0.150 120.507 120.400 -0.072 0.000 2.525 1025 D HA 0.338 4.978 4.640 -0.000 0.000 0.229 1025 D C 0.714 176.936 176.300 -0.131 0.000 1.202 1025 D CA 1.018 54.962 54.000 -0.094 0.000 0.828 1025 D CB -1.026 39.749 40.800 -0.042 0.000 1.008 1025 D HN 1.096 nan 8.370 nan 0.000 0.493 1026 T N -2.765 111.692 114.554 -0.162 0.000 2.852 1026 T HA 0.265 4.615 4.350 -0.000 0.000 0.281 1026 T C 0.791 175.496 174.700 0.010 0.000 0.993 1026 T CA -0.518 61.520 62.100 -0.102 0.000 0.933 1026 T CB 1.666 70.510 68.868 -0.039 0.000 1.187 1026 T HN -0.227 nan 8.240 nan 0.000 0.559 1027 E N -0.035 120.330 120.200 0.276 0.000 2.463 1027 E HA 0.270 4.620 4.350 -0.000 0.000 0.193 1027 E C -0.000 176.684 176.600 0.141 0.000 1.041 1027 E CA -0.091 56.422 56.400 0.188 0.000 0.879 1027 E CB -0.136 29.668 29.700 0.174 0.000 0.997 1027 E HN 0.548 nan 8.360 nan 0.000 0.478 1028 L N 0.761 121.988 121.223 0.007 0.000 2.319 1028 L HA 0.227 4.567 4.340 -0.000 0.000 0.280 1028 L C -0.396 176.369 176.870 -0.175 0.000 1.099 1028 L CA -0.259 54.570 54.840 -0.018 0.000 0.828 1028 L CB 0.399 42.418 42.059 -0.066 0.000 1.150 1028 L HN -0.079 nan 8.230 nan 0.000 0.442 1029 W N 4.756 126.009 121.300 -0.079 0.000 2.702 1029 W HA 0.625 5.285 4.660 -0.000 0.000 0.331 1029 W C -0.237 176.220 176.519 -0.103 0.000 1.049 1029 W CA -0.495 56.795 57.345 -0.092 0.000 1.230 1029 W CB 1.551 30.978 29.460 -0.054 0.000 1.408 1029 W HN 0.237 nan 8.180 nan 0.000 0.492 1030 I N -0.340 120.277 120.570 0.078 0.000 2.562 1030 I HA 0.645 4.815 4.170 -0.000 0.000 0.301 1030 I C -0.560 175.595 176.117 0.063 0.000 1.003 1030 I CA -1.092 60.213 61.300 0.008 0.000 1.127 1030 I CB 2.169 40.090 38.000 -0.132 0.000 1.304 1030 I HN 0.410 nan 8.210 nan 0.000 0.446 1031 E N 4.553 124.782 120.200 0.048 0.000 2.187 1031 E HA 0.415 4.765 4.350 -0.000 0.000 0.268 1031 E C -1.253 175.369 176.600 0.037 0.000 0.896 1031 E CA -0.923 55.510 56.400 0.054 0.000 0.766 1031 E CB 2.275 32.005 29.700 0.049 0.000 1.142 1031 E HN 0.626 nan 8.360 nan 0.000 0.408 1032 V N 5.335 125.277 119.914 0.047 0.000 2.458 1032 V HA -0.058 4.061 4.120 -0.000 0.000 0.287 1032 V C 0.990 177.115 176.094 0.052 0.000 1.009 1032 V CA 0.717 63.047 62.300 0.050 0.000 1.091 1032 V CB 0.483 32.351 31.823 0.074 0.000 0.960 1032 V HN 0.836 nan 8.190 nan 0.000 0.476 1033 E N 2.413 122.642 120.200 0.048 0.000 2.170 1033 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 1033 E C 0.300 176.939 176.600 0.065 0.000 0.981 1033 E CA 0.522 56.956 56.400 0.056 0.000 0.830 1033 E CB 0.356 30.093 29.700 0.060 0.000 0.775 1033 E HN 0.743 nan 8.360 nan 0.000 0.470 1034 D N -0.690 119.753 120.400 0.072 0.000 2.609 1034 D HA 0.180 4.820 4.640 -0.000 0.000 0.239 1034 D C -1.928 174.416 176.300 0.073 0.000 1.229 1034 D CA -0.520 53.523 54.000 0.072 0.000 0.808 1034 D CB 2.135 42.986 40.800 0.085 0.000 1.448 1034 D HN -0.207 nan 8.370 nan 0.000 0.433 1035 D N 1.813 122.241 120.400 0.047 0.000 2.788 1035 D HA 0.264 4.904 4.640 -0.000 0.000 0.247 1035 D C 0.397 176.682 176.300 -0.026 0.000 1.236 1035 D CA -0.353 53.666 54.000 0.032 0.000 0.898 1035 D CB 1.464 42.285 40.800 0.035 0.000 1.401 1035 D HN 0.295 nan 8.370 nan 0.000 0.549 1036 L N 2.083 123.307 121.223 0.001 0.000 2.612 1036 L HA 0.125 4.465 4.340 -0.000 0.000 0.230 1036 L C 1.469 178.303 176.870 -0.060 0.000 1.140 1036 L CA 0.129 54.958 54.840 -0.018 0.000 0.896 1036 L CB 0.001 42.076 42.059 0.026 0.000 1.065 1036 L HN 0.286 nan 8.230 nan 0.000 0.447 1037 T N -0.356 114.132 114.554 -0.110 0.000 2.810 1037 T HA 0.229 4.579 4.350 -0.000 0.000 0.277 1037 T C 0.207 174.753 174.700 -0.257 0.000 0.973 1037 T CA 0.011 62.027 62.100 -0.140 0.000 0.949 1037 T CB 1.177 69.981 68.868 -0.107 0.000 1.075 1037 T HN -0.005 nan 8.240 nan 0.000 0.537 1038 T N 2.788 117.223 114.554 -0.198 0.000 2.864 1038 T HA 0.352 4.702 4.350 -0.000 0.000 0.310 1038 T C -0.906 173.724 174.700 -0.118 0.000 1.040 1038 T CA -0.223 61.767 62.100 -0.183 0.000 0.977 1038 T CB -0.169 68.654 68.868 -0.076 0.000 0.976 1038 T HN 0.537 nan 8.240 nan 0.000 0.459 1039 Y N 2.110 122.391 120.300 -0.033 0.000 2.852 1039 Y HA 0.196 4.746 4.550 -0.000 0.000 0.343 1039 Y C 1.736 177.617 175.900 -0.031 0.000 1.280 1039 Y CA 0.961 59.036 58.100 -0.041 0.000 1.604 1039 Y CB 0.023 38.441 38.460 -0.070 0.000 1.216 1039 Y HN 1.041 nan 8.280 nan 0.000 0.541 1040 G N 2.108 110.977 108.800 0.115 0.000 2.253 1040 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.209 1040 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.209 1040 G C 0.565 175.475 174.900 0.017 0.000 0.997 1040 G CA -0.147 44.988 45.100 0.057 0.000 0.640 1040 G HN 0.532 nan 8.290 nan 0.000 0.496 1041 E N 1.112 121.311 120.200 -0.002 0.000 2.499 1041 E HA 0.240 4.590 4.350 -0.000 0.000 0.199 1041 E C 0.304 176.894 176.600 -0.016 0.000 1.016 1041 E CA 0.001 56.400 56.400 -0.002 0.000 0.933 1041 E CB 0.474 30.175 29.700 0.002 0.000 1.050 1041 E HN 0.681 nan 8.360 nan 0.000 0.462 1042 E N 0.776 120.930 120.200 -0.077 0.000 2.415 1042 E HA 0.063 4.413 4.350 -0.000 0.000 0.262 1042 E C 0.165 176.797 176.600 0.054 0.000 1.038 1042 E CA -0.095 56.264 56.400 -0.069 0.000 0.921 1042 E CB 0.843 30.346 29.700 -0.328 0.000 0.950 1042 E HN -0.083 nan 8.360 nan 0.000 0.438 1043 V N -0.039 119.933 119.914 0.097 0.000 2.439 1043 V HA 0.529 4.649 4.120 -0.000 0.000 0.282 1043 V C -0.071 176.131 176.094 0.180 0.000 1.039 1043 V CA -0.639 61.737 62.300 0.127 0.000 0.913 1043 V CB 1.131 33.016 31.823 0.104 0.000 0.983 1043 V HN 0.485 nan 8.190 nan 0.000 0.460 1044 K N 3.546 124.056 120.400 0.184 0.000 2.464 1044 K HA 0.557 4.877 4.320 -0.000 0.000 0.253 1044 K C -1.827 174.881 176.600 0.181 0.000 0.933 1044 K CA -0.653 55.743 56.287 0.181 0.000 0.801 1044 K CB 2.642 35.238 32.500 0.159 0.000 1.271 1044 K HN 0.742 nan 8.250 nan 0.000 0.430 1045 F N 1.503 121.475 119.950 0.036 0.000 2.422 1045 F HA 0.695 5.222 4.527 -0.000 0.000 0.333 1045 F C 0.192 175.997 175.800 0.009 0.000 1.095 1045 F CA 0.355 58.368 58.000 0.021 0.000 1.038 1045 F CB 1.578 40.589 39.000 0.017 0.000 1.156 1045 F HN 0.660 nan 8.300 nan 0.000 0.483 1046 G N 2.534 110.751 108.800 -0.971 0.000 2.356 1046 G HA2 0.363 4.323 3.960 -0.000 0.000 0.300 1046 G HA3 0.363 4.323 3.960 -0.000 0.000 0.300 1046 G C -0.831 173.785 174.900 -0.473 0.000 1.331 1046 G CA -0.496 44.172 45.100 -0.721 0.000 0.905 1046 G HN 1.028 nan 8.290 nan 0.000 0.587 1047 G N -0.762 107.854 108.800 -0.307 0.000 2.298 1047 G HA2 0.546 4.506 3.960 -0.000 0.000 0.263 1047 G HA3 0.546 4.506 3.960 -0.000 0.000 0.263 1047 G C 1.434 176.255 174.900 -0.132 0.000 1.229 1047 G CA 1.754 46.740 45.100 -0.188 0.000 0.976 1047 G HN 2.440 nan 8.290 nan 0.000 0.459 1048 G N 1.710 110.448 108.800 -0.103 0.000 2.162 1048 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 1048 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 1048 G C 0.685 175.554 174.900 -0.051 0.000 0.976 1048 G CA 0.874 45.937 45.100 -0.062 0.000 0.655 1048 G HN 0.799 nan 8.290 nan 0.000 0.533 1049 K N -0.848 119.505 120.400 -0.079 0.000 2.646 1049 K HA 0.604 4.924 4.320 -0.000 0.000 0.270 1049 K C 1.840 178.442 176.600 0.004 0.000 1.026 1049 K CA -0.224 56.040 56.287 -0.039 0.000 1.043 1049 K CB 0.494 32.955 32.500 -0.065 0.000 1.383 1049 K HN -0.020 nan 8.250 nan 0.000 0.513 1050 V N 0.859 120.802 119.914 0.048 0.000 2.323 1050 V HA -0.127 3.993 4.120 -0.000 0.000 0.244 1050 V C 1.360 177.502 176.094 0.080 0.000 1.041 1050 V CA 1.305 63.647 62.300 0.069 0.000 1.025 1050 V CB -0.418 31.461 31.823 0.094 0.000 0.656 1050 V HN 0.492 nan 8.190 nan 0.000 0.451 1051 I N 2.372 123.016 120.570 0.123 0.000 2.472 1051 I HA 0.139 4.309 4.170 -0.000 0.000 0.305 1051 I C 0.417 176.622 176.117 0.146 0.000 1.196 1051 I CA 0.720 62.113 61.300 0.155 0.000 1.613 1051 I CB -0.761 37.384 38.000 0.241 0.000 1.501 1051 I HN 0.249 nan 8.210 nan 0.000 0.754 1052 R N 2.481 123.033 120.500 0.086 0.000 2.740 1052 R HA 0.261 4.601 4.340 -0.000 0.000 0.273 1052 R C -0.887 175.442 176.300 0.047 0.000 0.998 1052 R CA -1.200 54.938 56.100 0.065 0.000 0.900 1052 R CB 1.756 32.077 30.300 0.035 0.000 1.223 1052 R HN 0.254 nan 8.270 nan 0.000 0.466 1053 D N 0.333 120.757 120.400 0.039 0.000 2.586 1053 D HA 0.038 4.678 4.640 -0.000 0.000 0.234 1053 D C 1.216 177.530 176.300 0.023 0.000 1.132 1053 D CA 2.561 56.577 54.000 0.028 0.000 0.860 1053 D CB 0.402 41.215 40.800 0.022 0.000 1.159 1053 D HN 0.683 nan 8.370 nan 0.000 0.490 1054 G N 2.786 111.598 108.800 0.021 0.000 2.304 1054 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.252 1054 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.252 1054 G C 0.845 175.758 174.900 0.022 0.000 1.014 1054 G CA 0.898 46.009 45.100 0.018 0.000 0.619 1054 G HN 0.526 nan 8.290 nan 0.000 0.525 1055 M N -0.590 119.026 119.600 0.027 0.000 2.109 1055 M HA 0.459 4.939 4.480 -0.000 0.000 0.187 1055 M C 2.520 178.841 176.300 0.036 0.000 1.503 1055 M CA 1.071 56.389 55.300 0.030 0.000 1.645 1055 M CB -0.371 32.248 32.600 0.032 0.000 0.970 1055 M HN 0.135 nan 8.290 nan 0.000 0.772 1056 G N -0.117 108.711 108.800 0.046 0.000 2.679 1056 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.212 1056 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.212 1056 G C 0.423 175.352 174.900 0.048 0.000 1.137 1056 G CA 0.122 45.253 45.100 0.052 0.000 0.787 1056 G HN 0.470 nan 8.290 nan 0.000 0.534 1057 Q N 0.238 120.065 119.800 0.044 0.000 2.322 1057 Q HA 0.548 4.888 4.340 -0.000 0.000 0.265 1057 Q C 0.309 176.323 176.000 0.023 0.000 0.985 1057 Q CA -0.662 55.162 55.803 0.035 0.000 0.849 1057 Q CB 1.513 30.277 28.738 0.044 0.000 1.274 1057 Q HN 0.143 nan 8.270 nan 0.000 0.449 1058 G N 1.446 110.255 108.800 0.014 0.000 2.525 1058 G HA2 0.100 4.060 3.960 -0.000 0.000 0.287 1058 G HA3 0.100 4.060 3.960 -0.000 0.000 0.287 1058 G C 0.091 174.994 174.900 0.005 0.000 1.350 1058 G CA -0.212 44.894 45.100 0.010 0.000 1.039 1058 G HN 0.680 nan 8.290 nan 0.000 0.513 1059 Q N -0.140 119.662 119.800 0.003 0.000 2.220 1059 Q HA 0.093 4.433 4.340 -0.000 0.000 0.205 1059 Q C 1.051 177.049 176.000 -0.004 0.000 0.865 1059 Q CA -0.294 55.509 55.803 0.001 0.000 0.960 1059 Q CB 0.201 28.940 28.738 0.003 0.000 1.097 1059 Q HN 0.653 nan 8.270 nan 0.000 0.493 1060 M N -0.577 119.019 119.600 -0.007 0.000 2.240 1060 M HA 0.247 4.727 4.480 -0.000 0.000 0.333 1060 M C -0.033 176.256 176.300 -0.018 0.000 1.110 1060 M CA 0.001 55.294 55.300 -0.012 0.000 1.173 1060 M CB 0.254 32.845 32.600 -0.014 0.000 1.458 1060 M HN -0.094 nan 8.290 nan 0.000 0.458 1061 L N 2.232 123.444 121.223 -0.018 0.000 2.466 1061 L HA 0.276 4.616 4.340 -0.000 0.000 0.257 1061 L C 1.912 178.761 176.870 -0.034 0.000 1.189 1061 L CA -0.178 54.649 54.840 -0.022 0.000 0.813 1061 L CB 0.355 42.404 42.059 -0.016 0.000 1.118 1061 L HN 1.022 nan 8.230 nan 0.000 0.471 1062 A N 1.550 124.348 122.820 -0.037 0.000 1.927 1062 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 1062 A C 2.276 179.825 177.584 -0.058 0.000 1.185 1062 A CA 2.180 54.188 52.037 -0.050 0.000 0.639 1062 A CB -0.873 18.101 19.000 -0.043 0.000 0.820 1062 A HN 0.919 nan 8.150 nan 0.000 0.451 1063 A N -0.763 122.033 122.820 -0.040 0.000 2.019 1063 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 1063 A C 1.338 178.895 177.584 -0.045 0.000 1.164 1063 A CA 1.653 53.670 52.037 -0.034 0.000 0.644 1063 A CB -0.310 18.682 19.000 -0.012 0.000 0.805 1063 A HN 0.497 nan 8.150 nan 0.000 0.449 1064 D N -0.932 119.439 120.400 -0.049 0.000 2.388 1064 D HA 0.212 4.852 4.640 -0.000 0.000 0.221 1064 D C 0.170 176.415 176.300 -0.092 0.000 1.133 1064 D CA 0.609 54.580 54.000 -0.047 0.000 0.831 1064 D CB -0.127 40.663 40.800 -0.017 0.000 0.962 1064 D HN 0.603 nan 8.370 nan 0.000 0.502 1065 C N -1.368 117.844 119.300 -0.147 0.000 3.239 1065 C HA 0.709 5.169 4.460 -0.000 0.000 0.317 1065 C C 0.239 175.063 174.990 -0.276 0.000 1.310 1065 C CA -1.235 57.668 59.018 -0.191 0.000 1.371 1065 C CB 1.001 28.676 27.740 -0.109 0.000 1.714 1065 C HN 0.013 nan 8.230 nan 0.000 0.473 1066 V N 0.272 119.993 119.914 -0.320 0.000 3.051 1066 V HA 0.375 4.495 4.120 -0.000 0.000 0.306 1066 V C 0.627 176.625 176.094 -0.160 0.000 1.083 1066 V CA 0.565 62.681 62.300 -0.306 0.000 1.104 1066 V CB 0.602 32.271 31.823 -0.257 0.000 1.027 1066 V HN 0.912 nan 8.190 nan 0.000 0.483 1067 D N 0.994 121.322 120.400 -0.119 0.000 2.249 1067 D HA 0.167 4.807 4.640 -0.000 0.000 0.205 1067 D C 0.205 176.466 176.300 -0.065 0.000 0.962 1067 D CA 1.154 55.107 54.000 -0.079 0.000 0.860 1067 D CB 0.580 41.348 40.800 -0.054 0.000 0.955 1067 D HN 0.504 nan 8.370 nan 0.000 0.505 1068 L N 0.117 121.310 121.223 -0.050 0.000 2.445 1068 L HA 0.485 4.825 4.340 -0.000 0.000 0.262 1068 L C -1.710 175.152 176.870 -0.013 0.000 0.974 1068 L CA -0.843 53.977 54.840 -0.034 0.000 0.822 1068 L CB 2.648 44.699 42.059 -0.013 0.000 1.339 1068 L HN -0.285 nan 8.230 nan 0.000 0.409 1069 V N 5.635 125.542 119.914 -0.013 0.000 2.638 1069 V HA 0.600 4.720 4.120 -0.000 0.000 0.306 1069 V C -1.361 174.748 176.094 0.024 0.000 1.052 1069 V CA -0.446 61.865 62.300 0.017 0.000 0.885 1069 V CB 1.999 33.832 31.823 0.016 0.000 0.999 1069 V HN 0.708 nan 8.190 nan 0.000 0.424 1070 L N 6.556 127.810 121.223 0.052 0.000 2.264 1070 L HA 0.505 4.845 4.340 -0.000 0.000 0.287 1070 L C 0.690 177.607 176.870 0.078 0.000 1.039 1070 L CA 0.102 54.979 54.840 0.060 0.000 0.829 1070 L CB 1.646 43.749 42.059 0.074 0.000 1.211 1070 L HN 0.844 nan 8.230 nan 0.000 0.427 1071 T N -0.167 114.434 114.554 0.078 0.000 2.869 1071 T HA 0.245 4.595 4.350 -0.000 0.000 0.295 1071 T C 0.602 175.371 174.700 0.116 0.000 0.987 1071 T CA -0.671 61.489 62.100 0.100 0.000 1.109 1071 T CB 0.442 69.376 68.868 0.111 0.000 0.932 1071 T HN 0.606 nan 8.240 nan 0.000 0.518 1072 N N 0.034 118.810 118.700 0.128 0.000 2.725 1072 N HA -0.157 4.583 4.740 -0.000 0.000 0.251 1072 N C 0.022 175.612 175.510 0.133 0.000 1.031 1072 N CA 0.843 53.980 53.050 0.145 0.000 0.720 1072 N CB -1.722 36.875 38.487 0.183 0.000 0.930 1072 N HN 1.125 nan 8.380 nan 0.000 0.543 1073 A N 0.120 123.015 122.820 0.124 0.000 2.354 1073 A HA 0.545 4.865 4.320 -0.000 0.000 0.269 1073 A C 0.445 178.099 177.584 0.118 0.000 1.109 1073 A CA -0.508 51.602 52.037 0.121 0.000 0.800 1073 A CB 0.747 19.821 19.000 0.123 0.000 1.045 1073 A HN 0.313 nan 8.150 nan 0.000 0.489 1074 L N 4.180 125.468 121.223 0.108 0.000 2.272 1074 L HA 0.462 4.802 4.340 -0.000 0.000 0.284 1074 L C -0.480 176.428 176.870 0.063 0.000 1.045 1074 L CA -0.169 54.719 54.840 0.079 0.000 0.842 1074 L CB -0.124 41.972 42.059 0.061 0.000 1.224 1074 L HN 0.556 nan 8.230 nan 0.000 0.430 1075 I N 5.242 125.838 120.570 0.042 0.000 2.474 1075 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 1075 I C -0.365 175.681 176.117 -0.119 0.000 1.048 1075 I CA -0.475 60.822 61.300 -0.004 0.000 1.383 1075 I CB 1.219 39.218 38.000 -0.002 0.000 1.412 1075 I HN 0.234 nan 8.210 nan 0.000 0.531 1076 V N 5.616 125.469 119.914 -0.101 0.000 2.380 1076 V HA 0.391 4.511 4.120 -0.000 0.000 0.286 1076 V C -0.628 175.365 176.094 -0.169 0.000 1.015 1076 V CA -0.329 61.882 62.300 -0.150 0.000 0.834 1076 V CB 1.447 33.209 31.823 -0.101 0.000 1.009 1076 V HN 0.691 nan 8.190 nan 0.000 0.428 1077 D N 0.821 120.971 120.400 -0.416 0.000 2.610 1077 D HA 0.322 4.962 4.640 -0.000 0.000 0.271 1077 D C 0.909 176.954 176.300 -0.425 0.000 1.174 1077 D CA -0.421 53.300 54.000 -0.466 0.000 0.949 1077 D CB 1.581 41.857 40.800 -0.872 0.000 1.430 1077 D HN 0.676 nan 8.370 nan 0.000 0.467 1078 H N -0.225 118.746 119.070 -0.165 0.000 2.457 1078 H HA -0.051 4.505 4.556 -0.000 0.000 0.297 1078 H C 1.407 176.847 175.328 0.186 0.000 1.092 1078 H CA 1.753 57.834 56.048 0.055 0.000 1.309 1078 H CB -0.314 29.489 29.762 0.069 0.000 1.382 1078 H HN 0.501 nan 8.280 nan 0.000 0.535 1079 W N 0.406 121.497 121.300 -0.350 0.000 3.077 1079 W HA 0.590 5.250 4.660 -0.000 0.000 0.266 1079 W C -0.129 176.391 176.519 0.002 0.000 1.300 1079 W CA 0.167 57.436 57.345 -0.127 0.000 1.586 1079 W CB 0.137 29.432 29.460 -0.275 0.000 1.103 1079 W HN 0.402 nan 8.180 nan 0.000 0.652 1080 G N 0.937 109.509 108.800 -0.380 0.000 2.325 1080 G HA2 0.385 4.345 3.960 -0.000 0.000 0.297 1080 G HA3 0.385 4.345 3.960 -0.000 0.000 0.297 1080 G C -2.025 172.623 174.900 -0.420 0.000 1.448 1080 G CA -1.081 43.880 45.100 -0.232 0.000 0.838 1080 G HN 0.050 nan 8.290 nan 0.000 0.579 1081 I N 1.534 121.998 120.570 -0.178 0.000 2.502 1081 I HA 0.445 4.615 4.170 -0.000 0.000 0.276 1081 I C 0.176 176.263 176.117 -0.049 0.000 1.057 1081 I CA -0.903 60.311 61.300 -0.143 0.000 1.163 1081 I CB 1.327 39.274 38.000 -0.089 0.000 1.288 1081 I HN 0.561 nan 8.210 nan 0.000 0.479 1082 V N 1.966 121.858 119.914 -0.037 0.000 3.001 1082 V HA 0.668 4.787 4.120 -0.000 0.000 0.314 1082 V C -0.569 175.574 176.094 0.081 0.000 1.099 1082 V CA -1.036 61.303 62.300 0.064 0.000 0.989 1082 V CB 2.164 34.084 31.823 0.161 0.000 1.040 1082 V HN 0.490 nan 8.190 nan 0.000 0.434 1083 K N 2.076 122.536 120.400 0.099 0.000 2.211 1083 K HA 0.899 5.218 4.320 -0.000 0.000 0.275 1083 K C -0.414 176.254 176.600 0.114 0.000 1.024 1083 K CA 0.697 57.052 56.287 0.113 0.000 0.887 1083 K CB 0.901 33.480 32.500 0.132 0.000 1.084 1083 K HN 1.622 nan 8.250 nan 0.000 0.463 1084 A N 3.179 126.071 122.820 0.121 0.000 2.515 1084 A HA 0.407 4.727 4.320 -0.000 0.000 0.292 1084 A C -1.779 175.874 177.584 0.116 0.000 1.065 1084 A CA -0.954 51.151 52.037 0.113 0.000 0.641 1084 A CB 0.733 19.810 19.000 0.129 0.000 1.306 1084 A HN 0.657 nan 8.150 nan 0.000 0.441 1085 D N 0.564 121.026 120.400 0.104 0.000 2.175 1085 D HA 0.602 5.242 4.640 -0.000 0.000 0.248 1085 D C -0.557 175.812 176.300 0.116 0.000 1.047 1085 D CA 0.295 54.357 54.000 0.104 0.000 0.883 1085 D CB 1.435 42.289 40.800 0.090 0.000 1.180 1085 D HN 0.442 nan 8.370 nan 0.000 0.438 1086 I N 0.775 121.415 120.570 0.117 0.000 2.404 1086 I HA 0.404 4.574 4.170 -0.000 0.000 0.293 1086 I C 0.719 176.911 176.117 0.126 0.000 0.992 1086 I CA -0.798 60.581 61.300 0.130 0.000 1.149 1086 I CB 2.073 40.154 38.000 0.134 0.000 1.315 1086 I HN 0.205 nan 8.210 nan 0.000 0.446 1087 G N 5.267 114.166 108.800 0.165 0.000 2.372 1087 G HA2 0.621 4.581 3.960 -0.000 0.000 0.323 1087 G HA3 0.621 4.581 3.960 -0.000 0.000 0.323 1087 G C -1.058 173.959 174.900 0.195 0.000 1.152 1087 G CA -0.353 44.852 45.100 0.175 0.000 0.906 1087 G HN 0.337 nan 8.290 nan 0.000 0.460 1088 V N 2.112 122.093 119.914 0.111 0.000 2.540 1088 V HA 0.625 4.745 4.120 -0.000 0.000 0.302 1088 V C -0.121 176.001 176.094 0.047 0.000 1.035 1088 V CA -0.807 61.558 62.300 0.108 0.000 0.873 1088 V CB 1.834 33.703 31.823 0.076 0.000 0.992 1088 V HN 0.774 nan 8.190 nan 0.000 0.428 1089 K N 2.932 123.382 120.400 0.084 0.000 2.513 1089 K HA 0.379 4.699 4.320 -0.000 0.000 0.251 1089 K C -0.800 175.843 176.600 0.071 0.000 0.939 1089 K CA -0.498 55.800 56.287 0.017 0.000 0.793 1089 K CB 1.439 33.889 32.500 -0.083 0.000 1.241 1089 K HN 0.722 nan 8.250 nan 0.000 0.431 1090 D N 2.859 123.290 120.400 0.051 0.000 2.837 1090 D HA -0.184 4.456 4.640 -0.000 0.000 0.230 1090 D C 0.587 176.948 176.300 0.102 0.000 1.152 1090 D CA 1.809 55.858 54.000 0.081 0.000 0.736 1090 D CB -1.073 39.775 40.800 0.081 0.000 1.084 1090 D HN 1.106 nan 8.370 nan 0.000 0.429 1091 G N -0.506 108.351 108.800 0.095 0.000 2.184 1091 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.264 1091 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.264 1091 G C 0.364 175.314 174.900 0.084 0.000 0.975 1091 G CA 0.738 45.895 45.100 0.095 0.000 0.642 1091 G HN 0.540 nan 8.290 nan 0.000 0.536 1092 R N -0.869 119.688 120.500 0.096 0.000 2.854 1092 R HA 0.645 4.985 4.340 -0.000 0.000 0.271 1092 R C 0.120 176.499 176.300 0.132 0.000 0.994 1092 R CA -1.197 54.964 56.100 0.103 0.000 0.945 1092 R CB 1.365 31.721 30.300 0.094 0.000 1.194 1092 R HN 0.158 nan 8.270 nan 0.000 0.476 1093 I N 2.579 123.223 120.570 0.123 0.000 2.494 1093 I HA -0.074 4.096 4.170 -0.000 0.000 0.289 1093 I C 0.941 177.148 176.117 0.150 0.000 1.106 1093 I CA 0.329 61.711 61.300 0.137 0.000 1.369 1093 I CB 0.190 38.258 38.000 0.113 0.000 1.410 1093 I HN 0.611 nan 8.210 nan 0.000 0.523 1094 F N 7.023 126.995 119.950 0.037 0.000 2.179 1094 F HA 0.377 4.904 4.527 -0.000 0.000 0.292 1094 F C 1.021 176.833 175.800 0.020 0.000 1.089 1094 F CA 0.768 58.784 58.000 0.027 0.000 1.295 1094 F CB 0.319 39.334 39.000 0.025 0.000 1.041 1094 F HN 0.465 nan 8.300 nan 0.000 0.487 1095 A N -0.312 122.554 122.820 0.077 0.000 2.597 1095 A HA 0.587 4.907 4.320 -0.000 0.000 0.292 1095 A C -1.771 175.858 177.584 0.075 0.000 1.057 1095 A CA -0.564 51.450 52.037 -0.038 0.000 0.674 1095 A CB 0.385 19.317 19.000 -0.113 0.000 1.278 1095 A HN 0.097 nan 8.150 nan 0.000 0.416 1096 I N 1.270 121.858 120.570 0.029 0.000 2.410 1096 I HA 0.681 4.851 4.170 -0.000 0.000 0.286 1096 I C 0.756 176.905 176.117 0.053 0.000 1.009 1096 I CA 0.740 62.085 61.300 0.075 0.000 1.111 1096 I CB 1.834 39.887 38.000 0.088 0.000 1.262 1096 I HN 1.188 nan 8.210 nan 0.000 0.443 1097 G N 4.983 113.828 108.800 0.075 0.000 2.725 1097 G HA2 0.214 4.174 3.960 -0.000 0.000 0.098 1097 G HA3 0.214 4.174 3.960 -0.000 0.000 0.098 1097 G C -1.463 173.472 174.900 0.057 0.000 1.188 1097 G CA -0.487 44.646 45.100 0.055 0.000 1.237 1097 G HN 0.302 nan 8.290 nan 0.000 0.596 1098 K N 1.182 121.611 120.400 0.048 0.000 2.394 1098 K HA 0.711 5.031 4.320 -0.000 0.000 0.260 1098 K C -0.316 176.317 176.600 0.054 0.000 0.967 1098 K CA -0.244 56.068 56.287 0.041 0.000 0.855 1098 K CB 1.196 33.705 32.500 0.016 0.000 1.101 1098 K HN 0.774 nan 8.250 nan 0.000 0.433 1099 A N 2.481 125.337 122.820 0.060 0.000 2.302 1099 A HA 0.844 5.164 4.320 -0.000 0.000 0.285 1099 A C 0.330 177.944 177.584 0.050 0.000 1.105 1099 A CA 0.391 52.464 52.037 0.060 0.000 0.816 1099 A CB 0.873 19.912 19.000 0.064 0.000 1.067 1099 A HN 0.896 nan 8.150 nan 0.000 0.489 1100 G N 0.139 108.966 108.800 0.044 0.000 2.368 1100 G HA2 0.308 4.268 3.960 -0.000 0.000 0.269 1100 G HA3 0.308 4.268 3.960 -0.000 0.000 0.269 1100 G C -1.559 173.361 174.900 0.032 0.000 1.291 1100 G CA -0.263 44.861 45.100 0.040 0.000 0.903 1100 G HN 1.088 nan 8.290 nan 0.000 0.483 1101 N N 0.787 119.505 118.700 0.030 0.000 2.479 1101 N HA 0.603 5.343 4.740 -0.000 0.000 0.261 1101 N C -1.691 173.833 175.510 0.023 0.000 0.979 1101 N CA -2.277 50.788 53.050 0.025 0.000 0.930 1101 N CB 2.487 40.989 38.487 0.025 0.000 1.172 1101 N HN 0.017 nan 8.380 nan 0.000 0.499 1102 P HA -0.061 nan 4.420 nan 0.000 0.223 1102 P C 0.232 177.542 177.300 0.018 0.000 1.144 1102 P CA 0.898 64.011 63.100 0.021 0.000 0.783 1102 P CB 0.412 32.126 31.700 0.022 0.000 0.771 1103 D N -0.880 119.531 120.400 0.017 0.000 2.178 1103 D HA -0.094 4.546 4.640 -0.000 0.000 0.202 1103 D C 1.597 177.907 176.300 0.016 0.000 0.974 1103 D CA 1.174 55.183 54.000 0.015 0.000 0.841 1103 D CB -0.106 40.702 40.800 0.014 0.000 0.953 1103 D HN 0.360 nan 8.370 nan 0.000 0.478 1104 I N -3.989 116.592 120.570 0.018 0.000 4.557 1104 I HA 0.245 4.415 4.170 -0.000 0.000 0.333 1104 I C -0.047 176.081 176.117 0.019 0.000 1.332 1104 I CA -0.436 60.875 61.300 0.018 0.000 1.240 1104 I CB 0.394 38.406 38.000 0.019 0.000 1.312 1104 I HN -0.329 nan 8.210 nan 0.000 0.457 1105 Q N 3.375 123.187 119.800 0.020 0.000 2.306 1105 Q HA 0.576 4.916 4.340 -0.000 0.000 0.265 1105 Q C -2.583 173.427 176.000 0.016 0.000 1.022 1105 Q CA -1.956 53.859 55.803 0.019 0.000 0.853 1105 Q CB 2.331 31.083 28.738 0.023 0.000 1.327 1105 Q HN 0.092 nan 8.270 nan 0.000 0.449 1106 P HA 0.178 nan 4.420 nan 0.000 0.285 1106 P C -1.054 176.249 177.300 0.006 0.000 1.269 1106 P CA -0.321 62.784 63.100 0.008 0.000 0.844 1106 P CB 0.697 32.400 31.700 0.005 0.000 1.094 1107 N N -1.817 116.886 118.700 0.005 0.000 2.708 1107 N HA -0.129 4.611 4.740 -0.000 0.000 0.249 1107 N C -0.412 175.106 175.510 0.013 0.000 1.097 1107 N CA 0.136 53.188 53.050 0.004 0.000 0.710 1107 N CB -1.667 36.815 38.487 -0.009 0.000 1.032 1107 N HN 0.152 nan 8.380 nan 0.000 0.551 1108 V N 0.901 120.828 119.914 0.022 0.000 2.439 1108 V HA 0.136 4.256 4.120 -0.000 0.000 0.271 1108 V C 1.651 177.773 176.094 0.047 0.000 1.040 1108 V CA 0.880 63.201 62.300 0.034 0.000 1.002 1108 V CB 1.122 32.966 31.823 0.035 0.000 1.000 1108 V HN 0.490 nan 8.190 nan 0.000 0.477 1109 T N 1.596 116.187 114.554 0.061 0.000 2.985 1109 T HA 0.392 4.742 4.350 -0.000 0.000 0.254 1109 T C 0.342 175.137 174.700 0.158 0.000 1.021 1109 T CA 0.208 62.358 62.100 0.083 0.000 0.957 1109 T CB 0.141 69.041 68.868 0.052 0.000 1.047 1109 T HN 0.364 nan 8.240 nan 0.000 0.511 1110 I N 3.822 124.476 120.570 0.140 0.000 2.537 1110 I HA 0.348 4.518 4.170 -0.000 0.000 0.276 1110 I C -2.718 173.443 176.117 0.074 0.000 1.063 1110 I CA -2.682 58.718 61.300 0.167 0.000 1.144 1110 I CB 1.944 40.039 38.000 0.158 0.000 1.252 1110 I HN -0.083 nan 8.210 nan 0.000 0.480 1111 P HA 0.208 nan 4.420 nan 0.000 0.271 1111 P C -0.512 176.767 177.300 -0.034 0.000 1.226 1111 P CA 0.235 63.335 63.100 -0.000 0.000 0.765 1111 P CB 1.174 32.869 31.700 -0.009 0.000 0.835 1112 I N 2.756 123.319 120.570 -0.012 0.000 2.354 1112 I HA 0.541 4.711 4.170 -0.000 0.000 0.292 1112 I C 1.076 177.183 176.117 -0.016 0.000 0.989 1112 I CA -0.132 61.158 61.300 -0.017 0.000 1.188 1112 I CB 1.833 39.838 38.000 0.008 0.000 1.342 1112 I HN 0.425 nan 8.210 nan 0.000 0.457 1113 G N 2.875 111.657 108.800 -0.030 0.000 3.176 1113 G HA2 0.546 4.506 3.960 -0.000 0.000 0.272 1113 G HA3 0.546 4.506 3.960 -0.000 0.000 0.272 1113 G C 0.524 175.411 174.900 -0.023 0.000 1.349 1113 G CA 0.018 45.104 45.100 -0.023 0.000 0.953 1113 G HN 0.604 nan 8.290 nan 0.000 0.559 1114 A N -0.847 121.961 122.820 -0.019 0.000 2.019 1114 A HA 0.272 4.592 4.320 -0.000 0.000 0.219 1114 A C 2.263 179.828 177.584 -0.033 0.000 1.164 1114 A CA 2.466 54.491 52.037 -0.019 0.000 0.644 1114 A CB -0.534 18.457 19.000 -0.015 0.000 0.805 1114 A HN 1.501 nan 8.150 nan 0.000 0.449 1115 A N -0.779 122.015 122.820 -0.043 0.000 2.302 1115 A HA 0.367 4.687 4.320 -0.000 0.000 0.219 1115 A C 0.684 178.228 177.584 -0.066 0.000 1.243 1115 A CA 0.434 52.438 52.037 -0.055 0.000 0.856 1115 A CB -0.428 18.538 19.000 -0.057 0.000 0.893 1115 A HN 0.256 nan 8.150 nan 0.000 0.491 1116 T N 0.905 115.420 114.554 -0.065 0.000 2.767 1116 T HA 0.427 4.777 4.350 -0.000 0.000 0.284 1116 T C -0.316 174.327 174.700 -0.094 0.000 0.973 1116 T CA -0.317 61.738 62.100 -0.075 0.000 0.996 1116 T CB 1.492 70.322 68.868 -0.064 0.000 0.927 1116 T HN 0.444 nan 8.240 nan 0.000 0.456 1117 E N 2.431 122.569 120.200 -0.103 0.000 2.283 1117 E HA 0.521 4.871 4.350 -0.000 0.000 0.271 1117 E C -1.190 175.316 176.600 -0.157 0.000 1.031 1117 E CA -0.651 55.664 56.400 -0.141 0.000 0.868 1117 E CB 0.932 30.564 29.700 -0.114 0.000 1.094 1117 E HN 0.319 nan 8.360 nan 0.000 0.401 1118 V N 4.945 124.709 119.914 -0.251 0.000 2.540 1118 V HA 0.447 4.567 4.120 -0.000 0.000 0.302 1118 V C -0.240 175.742 176.094 -0.186 0.000 1.035 1118 V CA -0.670 61.490 62.300 -0.232 0.000 0.873 1118 V CB 1.551 33.157 31.823 -0.362 0.000 0.992 1118 V HN 0.671 nan 8.190 nan 0.000 0.428 1119 I N 3.695 124.217 120.570 -0.081 0.000 2.410 1119 I HA 0.541 4.711 4.170 -0.000 0.000 0.286 1119 I C 0.459 176.582 176.117 0.010 0.000 1.009 1119 I CA -0.640 60.639 61.300 -0.034 0.000 1.111 1119 I CB 1.808 39.800 38.000 -0.012 0.000 1.262 1119 I HN 0.710 nan 8.210 nan 0.000 0.443 1120 A N 5.058 127.897 122.820 0.032 0.000 2.395 1120 A HA 0.540 4.860 4.320 -0.000 0.000 0.286 1120 A C 0.852 178.474 177.584 0.063 0.000 1.193 1120 A CA -0.013 52.064 52.037 0.067 0.000 0.852 1120 A CB 0.276 19.330 19.000 0.090 0.000 1.118 1120 A HN 0.894 nan 8.150 nan 0.000 0.524 1121 A N 2.900 125.766 122.820 0.076 0.000 2.430 1121 A HA 0.261 4.581 4.320 -0.000 0.000 0.243 1121 A C 0.730 178.369 177.584 0.093 0.000 1.254 1121 A CA -0.192 51.895 52.037 0.084 0.000 0.914 1121 A CB -0.116 18.939 19.000 0.092 0.000 0.998 1121 A HN 0.830 nan 8.150 nan 0.000 0.515 1122 E N 0.113 120.366 120.200 0.088 0.000 2.417 1122 E HA 0.293 4.643 4.350 -0.000 0.000 0.261 1122 E C 0.826 177.466 176.600 0.067 0.000 1.000 1122 E CA 0.546 56.997 56.400 0.085 0.000 0.919 1122 E CB 0.159 29.896 29.700 0.063 0.000 0.955 1122 E HN 0.923 nan 8.360 nan 0.000 0.455 1123 G N 2.819 111.666 108.800 0.079 0.000 2.176 1123 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.253 1123 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.253 1123 G C -0.024 174.931 174.900 0.091 0.000 0.979 1123 G CA 0.318 45.461 45.100 0.073 0.000 0.641 1123 G HN 0.482 nan 8.290 nan 0.000 0.530 1124 K N -0.126 120.338 120.400 0.106 0.000 2.221 1124 K HA 0.752 5.072 4.320 -0.000 0.000 0.243 1124 K C 0.040 176.732 176.600 0.155 0.000 0.968 1124 K CA -0.861 55.510 56.287 0.141 0.000 0.846 1124 K CB 1.940 34.521 32.500 0.135 0.000 1.141 1124 K HN 0.216 nan 8.250 nan 0.000 0.434 1125 I N 1.533 122.237 120.570 0.224 0.000 2.377 1125 I HA 0.257 4.427 4.170 -0.000 0.000 0.293 1125 I C -0.446 175.891 176.117 0.367 0.000 0.987 1125 I CA -1.093 60.350 61.300 0.237 0.000 1.185 1125 I CB 1.795 39.918 38.000 0.205 0.000 1.341 1125 I HN -0.003 nan 8.210 nan 0.000 0.455 1126 V N 4.909 124.990 119.914 0.279 0.000 2.495 1126 V HA 0.578 4.698 4.120 -0.000 0.000 0.298 1126 V C 0.142 176.420 176.094 0.307 0.000 1.031 1126 V CA -0.362 62.106 62.300 0.280 0.000 0.871 1126 V CB 1.912 33.843 31.823 0.181 0.000 0.988 1126 V HN 0.906 nan 8.190 nan 0.000 0.432 1127 T N 1.615 116.400 114.554 0.386 0.000 2.887 1127 T HA 0.867 5.217 4.350 -0.000 0.000 0.292 1127 T C -0.132 174.749 174.700 0.302 0.000 1.087 1127 T CA -0.411 61.914 62.100 0.376 0.000 1.009 1127 T CB 1.951 71.167 68.868 0.579 0.000 1.203 1127 T HN 0.979 nan 8.240 nan 0.000 0.518 1128 A N 0.410 123.394 122.820 0.272 0.000 2.332 1128 A HA 0.698 5.017 4.320 -0.000 0.000 0.258 1128 A C 0.965 178.709 177.584 0.267 0.000 1.087 1128 A CA -0.149 52.030 52.037 0.237 0.000 0.802 1128 A CB -0.579 18.552 19.000 0.218 0.000 1.042 1128 A HN 1.365 nan 8.150 nan 0.000 0.489 1129 G N -0.033 108.896 108.800 0.215 0.000 2.491 1129 G HA2 0.472 4.432 3.960 -0.000 0.000 0.242 1129 G HA3 0.472 4.432 3.960 -0.000 0.000 0.242 1129 G C 0.537 175.595 174.900 0.262 0.000 1.266 1129 G CA 0.204 45.431 45.100 0.211 0.000 0.844 1129 G HN 1.135 nan 8.290 nan 0.000 0.571 1130 G N -0.675 108.302 108.800 0.296 0.000 2.606 1130 G HA2 0.476 4.436 3.960 -0.000 0.000 0.252 1130 G HA3 0.476 4.436 3.960 -0.000 0.000 0.252 1130 G C -0.343 174.692 174.900 0.226 0.000 1.206 1130 G CA -0.595 44.718 45.100 0.354 0.000 0.861 1130 G HN 0.635 nan 8.290 nan 0.000 0.561 1131 I N 0.913 121.615 120.570 0.220 0.000 2.468 1131 I HA 0.175 4.345 4.170 -0.000 0.000 0.284 1131 I C -1.291 174.893 176.117 0.111 0.000 1.038 1131 I CA -0.703 60.681 61.300 0.141 0.000 1.083 1131 I CB 2.091 40.161 38.000 0.117 0.000 1.223 1131 I HN 0.301 nan 8.210 nan 0.000 0.443 1132 D N 4.496 124.935 120.400 0.064 0.000 2.329 1132 D HA 0.229 4.869 4.640 -0.000 0.000 0.232 1132 D C 0.820 177.118 176.300 -0.004 0.000 1.088 1132 D CA -0.168 53.847 54.000 0.024 0.000 0.835 1132 D CB 1.610 42.395 40.800 -0.025 0.000 1.078 1132 D HN 0.613 nan 8.370 nan 0.000 0.495 1133 T N 0.245 114.814 114.554 0.025 0.000 3.186 1133 T HA 0.130 4.480 4.350 -0.000 0.000 0.257 1133 T C 0.538 175.227 174.700 -0.017 0.000 1.029 1133 T CA -0.158 61.941 62.100 -0.002 0.000 0.916 1133 T CB -0.449 68.481 68.868 0.103 0.000 1.041 1133 T HN 0.497 nan 8.240 nan 0.000 0.562 1134 H N 0.688 119.608 119.070 -0.249 0.000 2.439 1134 H HA 0.450 5.006 4.556 -0.000 0.000 0.230 1134 H C -0.909 174.221 175.328 -0.331 0.000 1.420 1134 H CA -0.935 54.820 56.048 -0.488 0.000 1.305 1134 H CB -0.053 29.245 29.762 -0.773 0.000 1.667 1134 H HN 0.187 nan 8.280 nan 0.000 0.515 1135 I N 2.422 122.878 120.570 -0.190 0.000 2.336 1135 I HA 0.133 4.303 4.170 -0.000 0.000 0.292 1135 I C 0.213 176.071 176.117 -0.432 0.000 0.991 1135 I CA -0.311 60.757 61.300 -0.387 0.000 1.227 1135 I CB 1.062 38.589 38.000 -0.788 0.000 1.366 1135 I HN 0.563 nan 8.210 nan 0.000 0.466 1136 H N 5.679 124.578 119.070 -0.285 0.000 2.597 1136 H HA 0.121 4.677 4.556 -0.000 0.000 0.303 1136 H C -0.722 174.514 175.328 -0.153 0.000 1.057 1136 H CA -0.323 55.649 56.048 -0.127 0.000 1.261 1136 H CB 0.600 30.355 29.762 -0.011 0.000 1.397 1136 H HN 0.555 nan 8.280 nan 0.000 0.461 1137 W N 5.400 126.765 121.300 0.108 0.000 1.539 1137 W HA 0.122 4.782 4.660 -0.000 0.000 0.502 1137 W C 0.988 177.546 176.519 0.064 0.000 0.689 1137 W CA -0.308 57.079 57.345 0.070 0.000 2.088 1137 W CB -0.325 29.157 29.460 0.037 0.000 1.686 1137 W HN 0.635 nan 8.180 nan 0.000 0.211 1138 I N 1.215 121.942 120.570 0.261 0.000 2.584 1138 I HA -0.065 4.105 4.170 -0.000 0.000 0.255 1138 I C 1.090 177.312 176.117 0.174 0.000 1.145 1138 I CA 0.575 61.988 61.300 0.188 0.000 1.462 1138 I CB -0.164 37.949 38.000 0.188 0.000 1.102 1138 I HN 0.235 nan 8.210 nan 0.000 0.433 1139 C N -2.024 117.399 119.300 0.205 0.000 3.171 1139 C HA 0.384 4.844 4.460 -0.000 0.000 0.336 1139 C C -1.977 173.142 174.990 0.215 0.000 1.198 1139 C CA -1.372 57.746 59.018 0.167 0.000 1.319 1139 C CB 1.309 29.118 27.740 0.115 0.000 1.682 1139 C HN -0.044 nan 8.230 nan 0.000 0.497 1140 P HA -0.071 nan 4.420 nan 0.000 0.226 1140 P C 1.043 178.430 177.300 0.146 0.000 1.153 1140 P CA 1.503 64.690 63.100 0.145 0.000 0.777 1140 P CB 0.232 31.968 31.700 0.059 0.000 0.794 1141 Q N 0.157 120.026 119.800 0.113 0.000 2.291 1141 Q HA -0.119 4.221 4.340 -0.000 0.000 0.206 1141 Q C 2.358 178.414 176.000 0.094 0.000 0.976 1141 Q CA 1.256 57.110 55.803 0.085 0.000 0.875 1141 Q CB -0.833 27.939 28.738 0.058 0.000 0.927 1141 Q HN 0.443 nan 8.270 nan 0.000 0.450 1142 Q N -0.436 119.441 119.800 0.129 0.000 2.181 1142 Q HA -0.144 4.196 4.340 -0.000 0.000 0.205 1142 Q C 1.997 178.068 176.000 0.117 0.000 0.980 1142 Q CA 1.194 57.057 55.803 0.099 0.000 0.862 1142 Q CB -0.220 28.568 28.738 0.083 0.000 0.905 1142 Q HN 0.485 nan 8.270 nan 0.000 0.429 1143 A N 1.242 124.187 122.820 0.208 0.000 1.877 1143 A HA -0.265 4.055 4.320 -0.000 0.000 0.216 1143 A C 1.906 179.551 177.584 0.102 0.000 1.186 1143 A CA 1.708 53.865 52.037 0.200 0.000 0.620 1143 A CB -0.509 18.626 19.000 0.225 0.000 0.822 1143 A HN 0.426 nan 8.150 nan 0.000 0.443 1144 E N -0.748 119.497 120.200 0.075 0.000 2.106 1144 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 1144 E C 1.958 178.563 176.600 0.008 0.000 0.984 1144 E CA 1.256 57.680 56.400 0.039 0.000 0.806 1144 E CB -0.069 29.655 29.700 0.040 0.000 0.750 1144 E HN 0.602 nan 8.360 nan 0.000 0.458 1145 E N 0.341 120.547 120.200 0.010 0.000 2.051 1145 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 1145 E C 1.767 178.344 176.600 -0.037 0.000 0.991 1145 E CA 1.542 57.930 56.400 -0.020 0.000 0.799 1145 E CB -0.283 29.410 29.700 -0.013 0.000 0.748 1145 E HN 0.337 nan 8.360 nan 0.000 0.449 1146 A N 0.225 123.037 122.820 -0.014 0.000 1.902 1146 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 1146 A C 2.183 179.757 177.584 -0.017 0.000 1.181 1146 A CA 1.407 53.433 52.037 -0.018 0.000 0.623 1146 A CB -0.762 18.238 19.000 -0.001 0.000 0.818 1146 A HN 0.362 nan 8.150 nan 0.000 0.443 1147 L N -0.051 121.170 121.223 -0.004 0.000 2.017 1147 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 1147 L C 2.395 179.219 176.870 -0.077 0.000 1.073 1147 L CA 1.880 56.712 54.840 -0.012 0.000 0.745 1147 L CB -0.499 41.567 42.059 0.011 0.000 0.894 1147 L HN 0.155 nan 8.230 nan 0.000 0.432 1148 V N -0.269 119.566 119.914 -0.131 0.000 2.469 1148 V HA -0.275 3.844 4.120 -0.000 0.000 0.251 1148 V C 2.655 178.567 176.094 -0.303 0.000 1.064 1148 V CA 1.779 63.889 62.300 -0.317 0.000 1.066 1148 V CB -0.915 30.658 31.823 -0.417 0.000 0.667 1148 V HN 0.777 nan 8.190 nan 0.000 0.461 1149 S N -0.367 115.245 115.700 -0.146 0.000 2.522 1149 S HA 0.205 4.675 4.470 -0.000 0.000 0.227 1149 S C 1.551 176.172 174.600 0.035 0.000 0.986 1149 S CA 0.879 59.053 58.200 -0.043 0.000 0.929 1149 S CB 0.530 63.716 63.200 -0.023 0.000 0.769 1149 S HN 1.216 nan 8.310 nan 0.000 0.529 1150 G N -0.183 108.596 108.800 -0.035 0.000 2.148 1150 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.157 1150 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.157 1150 G C -0.213 174.737 174.900 0.083 0.000 1.012 1150 G CA -0.210 44.892 45.100 0.003 0.000 0.677 1150 G HN 0.594 nan 8.290 nan 0.000 0.506 1151 V N 1.886 121.829 119.914 0.048 0.000 2.370 1151 V HA 0.587 4.707 4.120 -0.000 0.000 0.279 1151 V C 1.381 177.523 176.094 0.081 0.000 1.029 1151 V CA 0.650 62.995 62.300 0.075 0.000 0.870 1151 V CB 1.369 33.214 31.823 0.037 0.000 0.984 1151 V HN 0.604 nan 8.190 nan 0.000 0.451 1152 T N -0.313 114.308 114.554 0.112 0.000 3.023 1152 T HA 0.160 4.510 4.350 -0.000 0.000 0.253 1152 T C 0.593 175.379 174.700 0.143 0.000 1.038 1152 T CA -0.035 62.133 62.100 0.113 0.000 0.962 1152 T CB 0.284 69.218 68.868 0.110 0.000 1.018 1152 T HN 0.534 nan 8.240 nan 0.000 0.521 1153 T N 2.361 117.008 114.554 0.155 0.000 2.881 1153 T HA 0.670 5.020 4.350 -0.000 0.000 0.290 1153 T C -1.046 173.749 174.700 0.158 0.000 1.000 1153 T CA -0.558 61.657 62.100 0.191 0.000 0.978 1153 T CB 1.738 70.729 68.868 0.204 0.000 0.997 1153 T HN 0.190 nan 8.240 nan 0.000 0.443 1154 M N 3.209 122.934 119.600 0.208 0.000 2.142 1154 M HA 0.532 5.012 4.480 -0.000 0.000 0.299 1154 M C -1.104 175.325 176.300 0.216 0.000 0.960 1154 M CA -0.828 54.569 55.300 0.162 0.000 0.920 1154 M CB 2.167 34.884 32.600 0.196 0.000 1.541 1154 M HN 0.241 nan 8.290 nan 0.000 0.429 1155 V N 2.468 122.416 119.914 0.056 0.000 2.459 1155 V HA 1.014 5.134 4.120 -0.000 0.000 0.295 1155 V C 0.287 176.361 176.094 -0.034 0.000 1.029 1155 V CA -0.185 62.136 62.300 0.036 0.000 0.874 1155 V CB 1.646 33.369 31.823 -0.166 0.000 0.985 1155 V HN 1.067 nan 8.190 nan 0.000 0.438 1156 G N 2.754 111.596 108.800 0.070 0.000 2.335 1156 G HA2 0.658 4.618 3.960 -0.000 0.000 0.291 1156 G HA3 0.658 4.618 3.960 -0.000 0.000 0.291 1156 G C -0.648 174.346 174.900 0.157 0.000 1.261 1156 G CA 0.117 45.192 45.100 -0.042 0.000 0.871 1156 G HN 1.132 nan 8.290 nan 0.000 0.491 1157 G N -2.018 106.841 108.800 0.098 0.000 2.704 1157 G HA2 0.991 4.951 3.960 -0.000 0.000 0.293 1157 G HA3 0.991 4.951 3.960 -0.000 0.000 0.293 1157 G C -0.254 174.803 174.900 0.262 0.000 1.421 1157 G CA 0.383 45.636 45.100 0.255 0.000 0.870 1157 G HN 2.251 nan 8.290 nan 0.000 0.492 1158 G N -1.656 107.301 108.800 0.261 0.000 2.352 1158 G HA2 0.531 4.491 3.960 -0.000 0.000 0.302 1158 G HA3 0.531 4.491 3.960 -0.000 0.000 0.302 1158 G C 0.104 175.059 174.900 0.093 0.000 1.370 1158 G CA 0.935 46.148 45.100 0.187 0.000 0.918 1158 G HN 1.734 nan 8.290 nan 0.000 0.610 1159 T N -2.979 111.567 114.554 -0.013 0.000 3.087 1159 T HA 0.642 4.992 4.350 -0.000 0.000 0.283 1159 T C 1.223 175.914 174.700 -0.015 0.000 0.956 1159 T CA 1.223 63.264 62.100 -0.098 0.000 0.894 1159 T CB 0.525 69.089 68.868 -0.507 0.000 1.160 1159 T HN 2.712 nan 8.240 nan 0.000 0.532 1160 G N 2.408 111.223 108.800 0.026 0.000 2.298 1160 G HA2 0.179 4.139 3.960 -0.000 0.000 0.309 1160 G HA3 0.179 4.139 3.960 -0.000 0.000 0.309 1160 G C -2.961 171.918 174.900 -0.034 0.000 1.279 1160 G CA -0.426 44.697 45.100 0.039 0.000 1.042 1160 G HN 0.053 nan 8.290 nan 0.000 0.480 1161 P HA 0.479 nan 4.420 nan 0.000 0.226 1161 P C 0.072 177.167 177.300 -0.340 0.000 1.783 1161 P CA 0.977 64.003 63.100 -0.123 0.000 0.980 1161 P CB 0.088 31.862 31.700 0.124 0.000 1.967 1162 A N 1.222 123.766 122.820 -0.460 0.000 2.320 1162 A HA 0.649 4.969 4.320 -0.000 0.000 0.334 1162 A C 1.602 178.931 177.584 -0.426 0.000 1.147 1162 A CA -0.178 51.675 52.037 -0.306 0.000 0.820 1162 A CB 1.052 19.962 19.000 -0.149 0.000 1.218 1162 A HN 0.224 nan 8.150 nan 0.000 0.482 1163 A N 1.341 124.083 122.820 -0.131 0.000 1.892 1163 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 1163 A C 2.183 179.737 177.584 -0.050 0.000 1.188 1163 A CA 2.707 54.739 52.037 -0.008 0.000 0.631 1163 A CB -1.351 17.656 19.000 0.011 0.000 0.822 1163 A HN 1.569 nan 8.150 nan 0.000 0.447 1164 G N -1.560 107.227 108.800 -0.021 0.000 2.418 1164 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 1164 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 1164 G C 1.560 176.517 174.900 0.095 0.000 1.158 1164 G CA 1.666 46.815 45.100 0.081 0.000 0.771 1164 G HN 0.457 nan 8.290 nan 0.000 0.545 1165 T N 0.076 114.646 114.554 0.026 0.000 2.857 1165 T HA -0.022 4.328 4.350 -0.000 0.000 0.266 1165 T C 2.113 176.917 174.700 0.175 0.000 1.048 1165 T CA 0.992 63.142 62.100 0.083 0.000 1.139 1165 T CB -0.283 68.588 68.868 0.005 0.000 0.874 1165 T HN 0.292 nan 8.240 nan 0.000 0.455 1166 H N 1.215 120.324 119.070 0.065 0.000 2.387 1166 H HA 0.090 4.646 4.556 -0.000 0.000 0.299 1166 H C 2.405 177.688 175.328 -0.076 0.000 1.099 1166 H CA 1.383 57.419 56.048 -0.019 0.000 1.315 1166 H CB -0.438 29.297 29.762 -0.045 0.000 1.380 1166 H HN 0.427 nan 8.280 nan 0.000 0.513 1167 A N 0.132 122.998 122.820 0.077 0.000 1.997 1167 A HA 0.083 4.403 4.320 -0.000 0.000 0.212 1167 A C 1.335 178.909 177.584 -0.016 0.000 1.178 1167 A CA 1.011 53.023 52.037 -0.042 0.000 0.698 1167 A CB 0.062 18.942 19.000 -0.199 0.000 0.842 1167 A HN 0.455 nan 8.150 nan 0.000 0.458 1168 T N -2.925 111.666 114.554 0.062 0.000 2.906 1168 T HA 0.460 4.810 4.350 -0.000 0.000 0.295 1168 T C -0.147 174.596 174.700 0.073 0.000 1.075 1168 T CA 0.217 62.347 62.100 0.051 0.000 1.005 1168 T CB 1.373 70.213 68.868 -0.047 0.000 1.136 1168 T HN 0.290 nan 8.240 nan 0.000 0.498 1169 T N 0.012 114.513 114.554 -0.087 0.000 3.783 1169 T HA 0.471 4.821 4.350 -0.000 0.000 0.262 1169 T C 0.013 174.722 174.700 0.015 0.000 1.381 1169 T CA -0.682 61.294 62.100 -0.208 0.000 1.155 1169 T CB -1.861 66.874 68.868 -0.222 0.000 1.256 1169 T HN 0.702 nan 8.240 nan 0.000 0.807 1170 C N 1.675 121.019 119.300 0.073 0.000 2.441 1170 C HA 0.632 5.092 4.460 -0.000 0.000 0.318 1170 C C 0.539 175.550 174.990 0.036 0.000 1.222 1170 C CA -0.836 58.213 59.018 0.052 0.000 1.474 1170 C CB 1.312 29.062 27.740 0.016 0.000 2.125 1170 C HN 0.652 nan 8.230 nan 0.000 0.479 1171 T N 4.449 119.020 114.554 0.029 0.000 2.929 1171 T HA 0.302 4.652 4.350 -0.000 0.000 0.331 1171 T C -2.684 172.022 174.700 0.011 0.000 1.120 1171 T CA -0.746 61.372 62.100 0.031 0.000 0.973 1171 T CB 0.289 69.203 68.868 0.076 0.000 1.036 1171 T HN 0.425 nan 8.240 nan 0.000 0.502 1172 P HA 0.363 nan 4.420 nan 0.000 0.270 1172 P C 0.721 178.092 177.300 0.119 0.000 1.242 1172 P CA 0.701 63.782 63.100 -0.032 0.000 0.768 1172 P CB 0.293 31.928 31.700 -0.108 0.000 0.820 1173 G N 5.340 114.175 108.800 0.058 0.000 2.856 1173 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.674 1173 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.674 1173 G C -1.975 173.001 174.900 0.127 0.000 1.519 1173 G CA -0.803 44.352 45.100 0.091 0.000 0.940 1173 G HN 0.269 nan 8.290 nan 0.000 0.564 1174 P HA -0.154 nan 4.420 nan 0.000 0.216 1174 P C 1.679 179.038 177.300 0.097 0.000 1.157 1174 P CA 2.259 65.407 63.100 0.080 0.000 0.880 1174 P CB -0.020 31.721 31.700 0.069 0.000 0.791 1175 W N -1.034 120.236 121.300 -0.049 0.000 2.354 1175 W HA -0.203 4.457 4.660 -0.000 0.000 0.315 1175 W C 2.329 178.776 176.519 -0.120 0.000 1.206 1175 W CA 1.541 58.813 57.345 -0.122 0.000 1.290 1175 W CB -1.149 28.181 29.460 -0.217 0.000 1.152 1175 W HN -0.054 nan 8.180 nan 0.000 0.489 1176 Y N -0.210 120.227 120.300 0.228 0.000 2.242 1176 Y HA -0.214 4.336 4.550 -0.000 0.000 0.291 1176 Y C 2.395 178.256 175.900 -0.065 0.000 1.137 1176 Y CA 1.583 59.727 58.100 0.072 0.000 1.181 1176 Y CB -0.473 38.086 38.460 0.164 0.000 0.989 1176 Y HN -0.114 nan 8.280 nan 0.000 0.527 1177 I N -0.988 119.655 120.570 0.123 0.000 2.179 1177 I HA -0.356 3.814 4.170 -0.000 0.000 0.242 1177 I C 2.347 178.432 176.117 -0.053 0.000 1.088 1177 I CA 1.396 62.717 61.300 0.035 0.000 1.357 1177 I CB -0.462 37.560 38.000 0.037 0.000 1.051 1177 I HN 0.091 nan 8.210 nan 0.000 0.409 1178 S N 0.297 115.929 115.700 -0.112 0.000 2.359 1178 S HA -0.219 4.251 4.470 -0.000 0.000 0.224 1178 S C 2.086 176.537 174.600 -0.249 0.000 1.035 1178 S CA 1.357 59.448 58.200 -0.181 0.000 1.018 1178 S CB -0.299 62.765 63.200 -0.227 0.000 0.876 1178 S HN 0.265 nan 8.310 nan 0.000 0.448 1179 R N 0.914 121.189 120.500 -0.375 0.000 2.091 1179 R HA 0.103 4.443 4.340 -0.000 0.000 0.238 1179 R C 2.267 178.438 176.300 -0.215 0.000 1.136 1179 R CA 1.318 57.186 56.100 -0.386 0.000 0.959 1179 R CB -0.360 29.593 30.300 -0.578 0.000 0.856 1179 R HN 0.311 nan 8.270 nan 0.000 0.437 1180 M N -0.312 119.199 119.600 -0.148 0.000 2.254 1180 M HA -0.042 4.438 4.480 -0.000 0.000 0.265 1180 M C 2.026 178.219 176.300 -0.177 0.000 1.066 1180 M CA 1.238 56.445 55.300 -0.154 0.000 1.123 1180 M CB -0.553 31.974 32.600 -0.122 0.000 1.388 1180 M HN 0.173 nan 8.290 nan 0.000 0.425 1181 L N -0.441 120.697 121.223 -0.141 0.000 2.093 1181 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 1181 L C 2.492 179.280 176.870 -0.137 0.000 1.085 1181 L CA 1.151 55.917 54.840 -0.123 0.000 0.755 1181 L CB -0.472 41.531 42.059 -0.093 0.000 0.904 1181 L HN 0.386 nan 8.230 nan 0.000 0.435 1182 Q N -0.395 119.316 119.800 -0.149 0.000 2.079 1182 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 1182 Q C 2.404 178.327 176.000 -0.130 0.000 0.974 1182 Q CA 1.452 57.170 55.803 -0.141 0.000 0.840 1182 Q CB -0.194 28.453 28.738 -0.152 0.000 0.898 1182 Q HN 0.530 nan 8.270 nan 0.000 0.430 1183 A N 1.051 123.785 122.820 -0.145 0.000 2.015 1183 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 1183 A C 2.267 179.760 177.584 -0.152 0.000 1.163 1183 A CA 1.311 53.267 52.037 -0.136 0.000 0.646 1183 A CB -0.604 18.304 19.000 -0.153 0.000 0.806 1183 A HN 0.382 nan 8.150 nan 0.000 0.448 1184 A N 0.185 122.894 122.820 -0.185 0.000 1.978 1184 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 1184 A C 1.675 179.206 177.584 -0.088 0.000 1.170 1184 A CA 1.810 53.738 52.037 -0.183 0.000 0.636 1184 A CB -0.554 18.340 19.000 -0.177 0.000 0.810 1184 A HN 0.442 nan 8.150 nan 0.000 0.448 1185 D N -0.076 120.285 120.400 -0.064 0.000 2.265 1185 D HA -0.070 4.570 4.640 -0.000 0.000 0.208 1185 D C 1.855 178.243 176.300 0.147 0.000 0.977 1185 D CA 1.394 55.407 54.000 0.021 0.000 0.871 1185 D CB -0.124 40.616 40.800 -0.100 0.000 0.925 1185 D HN 0.416 nan 8.370 nan 0.000 0.485 1186 S N -0.401 115.329 115.700 0.051 0.000 2.527 1186 S HA 0.091 4.561 4.470 -0.000 0.000 0.222 1186 S C 1.004 175.610 174.600 0.009 0.000 0.985 1186 S CA -0.035 58.188 58.200 0.039 0.000 0.921 1186 S CB 0.487 63.691 63.200 0.006 0.000 0.772 1186 S HN 0.189 nan 8.310 nan 0.000 0.529 1187 L N 3.010 124.229 121.223 -0.007 0.000 2.307 1187 L HA 0.320 4.660 4.340 -0.000 0.000 0.282 1187 L C -1.772 175.115 176.870 0.029 0.000 1.051 1187 L CA -2.080 52.762 54.840 0.003 0.000 0.804 1187 L CB 0.773 42.815 42.059 -0.028 0.000 1.197 1187 L HN -0.125 nan 8.230 nan 0.000 0.431 1188 P HA -0.005 nan 4.420 nan 0.000 0.258 1188 P C -0.285 177.051 177.300 0.061 0.000 1.319 1188 P CA 0.361 63.485 63.100 0.040 0.000 0.785 1188 P CB -0.061 31.657 31.700 0.030 0.000 1.252 1189 V N -3.706 116.258 119.914 0.083 0.000 3.074 1189 V HA 0.556 4.676 4.120 -0.000 0.000 0.314 1189 V C -0.262 175.901 176.094 0.116 0.000 1.117 1189 V CA -1.419 60.949 62.300 0.113 0.000 1.014 1189 V CB 1.737 33.658 31.823 0.163 0.000 1.057 1189 V HN -0.191 nan 8.190 nan 0.000 0.438 1190 N N 1.534 120.319 118.700 0.142 0.000 2.530 1190 N HA 0.600 5.340 4.740 -0.000 0.000 0.273 1190 N C -0.782 174.879 175.510 0.252 0.000 1.173 1190 N CA 0.076 53.212 53.050 0.143 0.000 0.967 1190 N CB 1.489 40.115 38.487 0.232 0.000 1.109 1190 N HN 0.720 nan 8.380 nan 0.000 0.453 1191 I N -0.155 120.553 120.570 0.229 0.000 2.647 1191 I HA 0.480 4.650 4.170 -0.000 0.000 0.295 1191 I C 0.221 176.562 176.117 0.374 0.000 1.078 1191 I CA -0.868 60.613 61.300 0.302 0.000 1.048 1191 I CB 2.480 40.567 38.000 0.146 0.000 1.239 1191 I HN 0.426 nan 8.210 nan 0.000 0.421 1192 G N 5.866 114.886 108.800 0.366 0.000 2.662 1192 G HA2 0.738 4.698 3.960 -0.000 0.000 0.302 1192 G HA3 0.738 4.698 3.960 -0.000 0.000 0.302 1192 G C -1.367 173.675 174.900 0.237 0.000 1.389 1192 G CA -0.459 44.820 45.100 0.298 0.000 0.998 1192 G HN 0.379 nan 8.290 nan 0.000 0.502 1193 L N 1.194 122.527 121.223 0.185 0.000 2.334 1193 L HA 0.615 4.955 4.340 -0.000 0.000 0.272 1193 L C -0.272 176.676 176.870 0.130 0.000 1.020 1193 L CA -0.958 53.990 54.840 0.179 0.000 0.812 1193 L CB 2.023 44.157 42.059 0.125 0.000 1.264 1193 L HN 0.203 nan 8.230 nan 0.000 0.439 1194 L N 1.090 122.387 121.223 0.124 0.000 2.322 1194 L HA 0.638 4.978 4.340 -0.000 0.000 0.281 1194 L C 0.468 177.371 176.870 0.055 0.000 1.014 1194 L CA -0.470 54.417 54.840 0.080 0.000 0.815 1194 L CB 1.740 43.840 42.059 0.069 0.000 1.247 1194 L HN 0.678 nan 8.230 nan 0.000 0.421 1195 G N 1.239 110.054 108.800 0.025 0.000 2.557 1195 G HA2 0.286 4.246 3.960 -0.000 0.000 0.302 1195 G HA3 0.286 4.246 3.960 -0.000 0.000 0.302 1195 G C -0.914 173.954 174.900 -0.054 0.000 1.311 1195 G CA -0.574 44.521 45.100 -0.008 0.000 1.030 1195 G HN 0.528 nan 8.290 nan 0.000 0.509 1196 K N 0.110 120.435 120.400 -0.126 0.000 2.284 1196 K HA 0.299 4.619 4.320 -0.000 0.000 0.287 1196 K C 1.044 177.548 176.600 -0.160 0.000 1.081 1196 K CA -0.072 56.075 56.287 -0.232 0.000 0.910 1196 K CB 0.482 32.693 32.500 -0.481 0.000 1.088 1196 K HN 0.445 nan 8.250 nan 0.000 0.478 1197 G N 3.529 112.271 108.800 -0.096 0.000 2.985 1197 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.209 1197 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.209 1197 G C -0.074 174.800 174.900 -0.042 0.000 1.165 1197 G CA -0.289 44.776 45.100 -0.058 0.000 0.776 1197 G HN 0.612 nan 8.290 nan 0.000 0.541 1198 N N 0.401 119.070 118.700 -0.053 0.000 2.663 1198 N HA 0.445 5.185 4.740 -0.000 0.000 0.250 1198 N C -1.066 174.434 175.510 -0.017 0.000 1.129 1198 N CA 0.091 53.144 53.050 0.005 0.000 0.995 1198 N CB 1.790 40.342 38.487 0.109 0.000 1.324 1198 N HN 0.022 nan 8.380 nan 0.000 0.512 1199 V N 0.523 120.429 119.914 -0.013 0.000 3.167 1199 V HA 0.277 4.397 4.120 -0.000 0.000 0.293 1199 V C -0.347 175.743 176.094 -0.006 0.000 1.379 1199 V CA -0.558 61.734 62.300 -0.013 0.000 1.019 1199 V CB 2.264 34.067 31.823 -0.034 0.000 1.115 1199 V HN 0.429 nan 8.190 nan 0.000 0.442 1200 S N 2.861 118.561 115.700 -0.001 0.000 2.582 1200 S HA 0.199 4.669 4.470 -0.000 0.000 0.234 1200 S C 0.014 174.612 174.600 -0.004 0.000 0.961 1200 S CA 0.038 58.238 58.200 -0.001 0.000 0.953 1200 S CB -0.020 63.182 63.200 0.004 0.000 0.800 1200 S HN 0.709 nan 8.310 nan 0.000 0.471 1201 Q N 2.397 122.192 119.800 -0.008 0.000 2.381 1201 Q HA 0.343 4.683 4.340 -0.000 0.000 0.263 1201 Q C -2.044 173.949 176.000 -0.012 0.000 1.030 1201 Q CA -2.150 53.648 55.803 -0.009 0.000 0.772 1201 Q CB 1.430 30.162 28.738 -0.009 0.000 1.232 1201 Q HN -0.049 nan 8.270 nan 0.000 0.476 1202 P HA -0.199 nan 4.420 nan 0.000 0.217 1202 P C 0.002 177.295 177.300 -0.012 0.000 1.148 1202 P CA 1.194 64.287 63.100 -0.012 0.000 0.828 1202 P CB 0.472 32.166 31.700 -0.010 0.000 0.783 1203 D N 0.114 120.509 120.400 -0.010 0.000 2.178 1203 D HA -0.085 4.555 4.640 -0.000 0.000 0.201 1203 D C 2.098 178.392 176.300 -0.011 0.000 0.980 1203 D CA 1.408 55.403 54.000 -0.009 0.000 0.842 1203 D CB -0.547 40.249 40.800 -0.007 0.000 0.948 1203 D HN 0.148 nan 8.370 nan 0.000 0.472 1204 A N 0.204 123.015 122.820 -0.014 0.000 2.067 1204 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 1204 A C 2.296 179.866 177.584 -0.023 0.000 1.158 1204 A CA 0.706 52.731 52.037 -0.019 0.000 0.661 1204 A CB -0.375 18.610 19.000 -0.026 0.000 0.801 1204 A HN 0.207 nan 8.150 nan 0.000 0.452 1205 L N -1.676 119.534 121.223 -0.022 0.000 2.168 1205 L HA -0.011 4.328 4.340 -0.000 0.000 0.203 1205 L C 2.710 179.572 176.870 -0.013 0.000 1.078 1205 L CA 0.614 55.440 54.840 -0.022 0.000 0.780 1205 L CB -0.443 41.602 42.059 -0.023 0.000 0.939 1205 L HN 0.283 nan 8.230 nan 0.000 0.451 1206 R N 0.381 120.875 120.500 -0.010 0.000 2.105 1206 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 1206 R C 2.078 178.377 176.300 -0.002 0.000 1.135 1206 R CA 1.333 57.430 56.100 -0.005 0.000 0.967 1206 R CB -0.271 30.026 30.300 -0.005 0.000 0.861 1206 R HN 0.451 nan 8.270 nan 0.000 0.442 1207 E N 0.722 120.920 120.200 -0.002 0.000 2.077 1207 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 1207 E C 2.138 178.741 176.600 0.006 0.000 0.989 1207 E CA 1.206 57.608 56.400 0.002 0.000 0.800 1207 E CB 0.001 29.703 29.700 0.002 0.000 0.746 1207 E HN 0.442 nan 8.360 nan 0.000 0.452 1208 Q N 0.189 119.990 119.800 0.003 0.000 2.079 1208 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 1208 Q C 2.398 178.404 176.000 0.012 0.000 0.974 1208 Q CA 1.236 57.044 55.803 0.007 0.000 0.840 1208 Q CB 0.041 28.776 28.738 -0.004 0.000 0.898 1208 Q HN 0.160 nan 8.270 nan 0.000 0.430 1209 V N 0.994 120.913 119.914 0.009 0.000 2.358 1209 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 1209 V C 2.266 178.369 176.094 0.015 0.000 1.047 1209 V CA 1.767 64.076 62.300 0.014 0.000 1.035 1209 V CB -0.936 30.893 31.823 0.010 0.000 0.658 1209 V HN 0.368 nan 8.190 nan 0.000 0.452 1210 A N -0.057 122.769 122.820 0.010 0.000 2.019 1210 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 1210 A C 2.334 179.923 177.584 0.008 0.000 1.164 1210 A CA 1.809 53.851 52.037 0.009 0.000 0.644 1210 A CB -0.551 18.452 19.000 0.005 0.000 0.805 1210 A HN 0.567 nan 8.150 nan 0.000 0.449 1211 A N -2.107 120.719 122.820 0.010 0.000 2.014 1211 A HA 0.379 4.699 4.320 -0.000 0.000 0.218 1211 A C 1.824 179.411 177.584 0.005 0.000 1.163 1211 A CA 1.821 53.861 52.037 0.006 0.000 0.652 1211 A CB -0.393 18.614 19.000 0.012 0.000 0.808 1211 A HN 1.565 nan 8.150 nan 0.000 0.449 1212 G N -1.907 106.903 108.800 0.017 0.000 3.246 1212 G HA2 0.061 4.021 3.960 -0.000 0.000 0.218 1212 G HA3 0.061 4.021 3.960 -0.000 0.000 0.218 1212 G C 0.344 175.272 174.900 0.046 0.000 0.978 1212 G CA 0.097 45.212 45.100 0.025 0.000 0.825 1212 G HN 1.361 nan 8.290 nan 0.000 0.546 1213 V N 1.338 121.279 119.914 0.045 0.000 2.872 1213 V HA 0.537 4.657 4.120 -0.000 0.000 0.307 1213 V C 1.675 177.812 176.094 0.071 0.000 1.072 1213 V CA 0.348 62.684 62.300 0.061 0.000 1.148 1213 V CB 1.040 32.893 31.823 0.050 0.000 0.954 1213 V HN 0.833 nan 8.190 nan 0.000 0.490 1214 I N 0.426 121.053 120.570 0.095 0.000 3.956 1214 I HA 0.745 4.915 4.170 -0.000 0.000 0.333 1214 I C 0.680 176.860 176.117 0.105 0.000 1.302 1214 I CA 0.392 61.754 61.300 0.104 0.000 1.122 1214 I CB -0.138 37.939 38.000 0.128 0.000 1.013 1214 I HN 0.893 nan 8.210 nan 0.000 0.405 1215 G N 0.903 109.757 108.800 0.089 0.000 2.559 1215 G HA2 0.628 4.588 3.960 -0.000 0.000 0.291 1215 G HA3 0.628 4.588 3.960 -0.000 0.000 0.291 1215 G C -1.632 173.291 174.900 0.038 0.000 1.424 1215 G CA -0.688 44.458 45.100 0.078 0.000 0.786 1215 G HN 0.086 nan 8.290 nan 0.000 0.485 1219 H N 5.584 124.744 119.070 0.151 0.000 2.572 1219 H HA 0.385 4.941 4.556 -0.000 0.000 0.359 1219 H C 0.641 175.993 175.328 0.039 0.000 1.134 1219 H CA -0.295 55.810 56.048 0.096 0.000 1.187 1219 H CB 2.369 32.221 29.762 0.151 0.000 1.597 1219 H HN 0.840 nan 8.280 nan 0.000 0.524 1220 E N 2.291 122.410 120.200 -0.135 0.000 2.209 1220 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 1220 E C 0.061 176.695 176.600 0.056 0.000 0.993 1220 E CA 1.521 57.914 56.400 -0.012 0.000 0.819 1220 E CB 0.163 29.839 29.700 -0.039 0.000 0.745 1220 E HN 0.474 nan 8.360 nan 0.000 0.477 1221 D N 0.150 120.633 120.400 0.139 0.000 2.264 1221 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 1221 D C 0.563 176.710 176.300 -0.254 0.000 0.966 1221 D CA 0.946 54.856 54.000 -0.150 0.000 0.864 1221 D CB -0.199 40.353 40.800 -0.412 0.000 0.933 1221 D HN 0.484 nan 8.370 nan 0.000 0.499 1222 W N 0.237 121.575 121.300 0.063 0.000 3.220 1222 W HA 0.405 5.065 4.660 -0.000 0.000 0.328 1222 W C 0.607 177.141 176.519 0.025 0.000 1.205 1222 W CA -0.067 57.295 57.345 0.029 0.000 1.773 1222 W CB 0.789 30.264 29.460 0.025 0.000 1.086 1222 W HN -0.074 nan 8.180 nan 0.000 0.622 1223 G N 1.314 110.231 108.800 0.195 0.000 2.858 1223 G HA2 0.066 4.026 3.960 -0.000 0.000 0.272 1223 G HA3 0.066 4.026 3.960 -0.000 0.000 0.272 1223 G C -0.178 174.784 174.900 0.103 0.000 1.003 1223 G CA -0.594 44.577 45.100 0.118 0.000 1.241 1223 G HN 0.412 nan 8.290 nan 0.000 0.569 1224 A N 2.179 125.043 122.820 0.074 0.000 3.118 1224 A HA 0.653 4.973 4.320 -0.000 0.000 0.256 1224 A C 1.306 178.916 177.584 0.043 0.000 1.667 1224 A CA 0.889 52.961 52.037 0.059 0.000 1.338 1224 A CB -0.560 18.467 19.000 0.044 0.000 1.127 1224 A HN 2.006 nan 8.150 nan 0.000 0.634 1225 T N -2.514 112.066 114.554 0.042 0.000 2.899 1225 T HA 0.422 4.772 4.350 -0.000 0.000 0.284 1225 T C -1.813 172.905 174.700 0.030 0.000 1.004 1225 T CA -1.642 60.477 62.100 0.033 0.000 1.043 1225 T CB 1.053 69.936 68.868 0.026 0.000 1.013 1225 T HN 0.084 nan 8.240 nan 0.000 0.518 1226 P HA -0.064 nan 4.420 nan 0.000 0.216 1226 P C 1.628 178.934 177.300 0.011 0.000 1.150 1226 P CA 1.464 64.575 63.100 0.018 0.000 0.843 1226 P CB -0.240 31.467 31.700 0.012 0.000 0.787 1227 A N -0.218 122.608 122.820 0.010 0.000 1.898 1227 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 1227 A C 2.295 179.884 177.584 0.007 0.000 1.181 1227 A CA 2.005 54.046 52.037 0.007 0.000 0.620 1227 A CB -1.546 17.458 19.000 0.007 0.000 0.819 1227 A HN 0.193 nan 8.150 nan 0.000 0.442 1228 A N -0.025 122.804 122.820 0.014 0.000 1.873 1228 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 1228 A C 2.119 179.707 177.584 0.007 0.000 1.186 1228 A CA 1.426 53.472 52.037 0.014 0.000 0.616 1228 A CB -0.613 18.406 19.000 0.031 0.000 0.823 1228 A HN 0.475 nan 8.150 nan 0.000 0.442 1229 I N -0.103 120.473 120.570 0.009 0.000 2.163 1229 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 1229 I C 2.343 178.454 176.117 -0.011 0.000 1.085 1229 I CA 2.012 63.311 61.300 -0.001 0.000 1.347 1229 I CB -0.421 37.581 38.000 0.004 0.000 1.044 1229 I HN 0.440 nan 8.210 nan 0.000 0.408 1230 D N 0.193 120.589 120.400 -0.007 0.000 2.097 1230 D HA -0.241 4.399 4.640 -0.000 0.000 0.195 1230 D C 2.317 178.610 176.300 -0.012 0.000 0.989 1230 D CA 1.402 55.396 54.000 -0.011 0.000 0.827 1230 D CB -0.213 40.583 40.800 -0.007 0.000 0.966 1230 D HN 0.397 nan 8.370 nan 0.000 0.456 1231 C N 0.075 119.369 119.300 -0.010 0.000 2.413 1231 C HA 0.026 4.486 4.460 -0.000 0.000 0.276 1231 C C 2.891 177.871 174.990 -0.016 0.000 1.248 1231 C CA 1.601 60.612 59.018 -0.011 0.000 1.742 1231 C CB -1.506 26.229 27.740 -0.009 0.000 2.017 1231 C HN 0.447 nan 8.230 nan 0.000 0.481 1232 A N -0.038 122.771 122.820 -0.018 0.000 1.902 1232 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 1232 A C 2.174 179.741 177.584 -0.029 0.000 1.181 1232 A CA 1.668 53.690 52.037 -0.025 0.000 0.623 1232 A CB -0.655 18.328 19.000 -0.028 0.000 0.818 1232 A HN 0.669 nan 8.150 nan 0.000 0.443 1233 L N -0.851 120.354 121.223 -0.029 0.000 2.141 1233 L HA -0.123 4.216 4.340 -0.000 0.000 0.209 1233 L C 2.711 179.565 176.870 -0.027 0.000 1.094 1233 L CA 1.541 56.361 54.840 -0.033 0.000 0.763 1233 L CB -0.656 41.383 42.059 -0.034 0.000 0.908 1233 L HN 0.332 nan 8.230 nan 0.000 0.437 1234 T N -0.697 113.844 114.554 -0.022 0.000 2.777 1234 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 1234 T C 1.959 176.649 174.700 -0.017 0.000 1.040 1234 T CA 1.265 63.354 62.100 -0.018 0.000 1.141 1234 T CB -0.091 68.769 68.868 -0.014 0.000 0.868 1234 T HN 0.061 nan 8.240 nan 0.000 0.444 1235 V N 1.547 121.451 119.914 -0.018 0.000 2.548 1235 V HA -0.080 4.040 4.120 -0.000 0.000 0.249 1235 V C 2.821 178.905 176.094 -0.017 0.000 1.055 1235 V CA 1.414 63.705 62.300 -0.016 0.000 1.065 1235 V CB -1.115 30.699 31.823 -0.015 0.000 0.681 1235 V HN 0.498 nan 8.190 nan 0.000 0.462 1236 A N 0.027 122.834 122.820 -0.022 0.000 1.877 1236 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 1236 A C 2.005 179.574 177.584 -0.025 0.000 1.186 1236 A CA 2.008 54.029 52.037 -0.026 0.000 0.620 1236 A CB -0.622 18.356 19.000 -0.037 0.000 0.822 1236 A HN 0.502 nan 8.150 nan 0.000 0.443 1237 D N -0.378 120.006 120.400 -0.025 0.000 2.178 1237 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 1237 D C 1.943 178.232 176.300 -0.019 0.000 0.980 1237 D CA 1.308 55.293 54.000 -0.024 0.000 0.842 1237 D CB -0.257 40.530 40.800 -0.022 0.000 0.948 1237 D HN 0.661 nan 8.370 nan 0.000 0.472 1238 E N -0.339 119.851 120.200 -0.016 0.000 2.028 1238 E HA -0.004 4.346 4.350 -0.000 0.000 0.190 1238 E C 1.729 178.322 176.600 -0.011 0.000 0.984 1238 E CA 0.685 57.078 56.400 -0.012 0.000 0.800 1238 E CB 0.027 29.721 29.700 -0.011 0.000 0.758 1238 E HN 0.263 nan 8.360 nan 0.000 0.448 1239 M N 0.506 120.101 119.600 -0.009 0.000 2.431 1239 M HA 0.059 4.539 4.480 -0.000 0.000 0.237 1239 M C -0.203 176.095 176.300 -0.004 0.000 1.130 1239 M CA -0.004 55.294 55.300 -0.005 0.000 1.002 1239 M CB 0.462 33.062 32.600 -0.001 0.000 1.524 1239 M HN -0.128 nan 8.290 nan 0.000 0.482 1240 D N 2.758 123.152 120.400 -0.011 0.000 2.697 1240 D HA -0.158 4.482 4.640 -0.000 0.000 0.238 1240 D C -1.066 175.230 176.300 -0.007 0.000 1.152 1240 D CA 0.637 54.628 54.000 -0.014 0.000 0.666 1240 D CB -0.780 40.011 40.800 -0.014 0.000 1.037 1240 D HN 0.526 nan 8.370 nan 0.000 0.423 1241 I N -2.468 118.096 120.570 -0.010 0.000 3.002 1241 I HA 0.707 4.877 4.170 -0.000 0.000 0.310 1241 I C -0.007 176.093 176.117 -0.028 0.000 1.087 1241 I CA -1.186 60.114 61.300 -0.000 0.000 1.017 1241 I CB 1.557 39.567 38.000 0.016 0.000 1.226 1241 I HN -0.122 nan 8.210 nan 0.000 0.443 1242 Q N 1.728 121.508 119.800 -0.033 0.000 2.214 1242 Q HA 0.741 5.081 4.340 -0.000 0.000 0.251 1242 Q C -1.423 174.530 176.000 -0.079 0.000 0.936 1242 Q CA -0.590 55.149 55.803 -0.107 0.000 0.894 1242 Q CB 1.894 30.457 28.738 -0.290 0.000 1.252 1242 Q HN 0.649 nan 8.270 nan 0.000 0.448 1243 V N 1.947 121.789 119.914 -0.119 0.000 2.555 1243 V HA 0.866 4.986 4.120 -0.000 0.000 0.302 1243 V C -0.703 175.260 176.094 -0.219 0.000 1.038 1243 V CA -0.702 61.522 62.300 -0.128 0.000 0.887 1243 V CB 1.440 33.199 31.823 -0.106 0.000 0.991 1243 V HN 0.860 nan 8.190 nan 0.000 0.434 1244 A N 4.716 127.333 122.820 -0.337 0.000 2.330 1244 A HA 0.907 5.227 4.320 -0.000 0.000 0.327 1244 A C -1.179 176.044 177.584 -0.602 0.000 1.155 1244 A CA -0.502 51.077 52.037 -0.763 0.000 0.803 1244 A CB 1.322 19.560 19.000 -1.270 0.000 1.208 1244 A HN 0.823 nan 8.150 nan 0.000 0.477 1245 L N 1.764 122.632 121.223 -0.591 0.000 2.365 1245 L HA 0.612 4.952 4.340 -0.000 0.000 0.273 1245 L C -0.613 176.167 176.870 -0.150 0.000 1.000 1245 L CA -0.199 54.478 54.840 -0.270 0.000 0.819 1245 L CB 1.772 43.740 42.059 -0.152 0.000 1.284 1245 L HN 0.814 nan 8.230 nan 0.000 0.418 1246 H N 3.052 122.053 119.070 -0.116 0.000 2.953 1246 H HA 0.542 5.098 4.556 -0.000 0.000 0.290 1246 H C -0.417 174.866 175.328 -0.074 0.000 1.113 1246 H CA -0.337 55.699 56.048 -0.019 0.000 1.454 1246 H CB 0.871 30.550 29.762 -0.138 0.000 1.525 1246 H HN 0.830 nan 8.280 nan 0.000 0.505 1247 S N 2.497 118.270 115.700 0.121 0.000 2.617 1247 S HA -0.055 4.415 4.470 -0.000 0.000 0.255 1247 S C 0.476 175.041 174.600 -0.058 0.000 1.318 1247 S CA -0.803 57.417 58.200 0.034 0.000 0.978 1247 S CB 0.832 64.064 63.200 0.055 0.000 0.961 1247 S HN 0.742 nan 8.310 nan 0.000 0.582 1248 D N 0.584 120.796 120.400 -0.313 0.000 2.441 1248 D HA 0.150 4.790 4.640 -0.000 0.000 0.243 1248 D C 0.997 177.024 176.300 -0.454 0.000 1.257 1248 D CA 0.105 53.899 54.000 -0.343 0.000 1.027 1248 D CB -0.271 40.355 40.800 -0.289 0.000 1.084 1248 D HN 0.551 nan 8.370 nan 0.000 0.514 1249 T N 3.442 117.919 114.554 -0.128 0.000 2.759 1249 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 1249 T C 1.975 176.718 174.700 0.073 0.000 1.042 1249 T CA 0.783 62.886 62.100 0.005 0.000 1.140 1249 T CB 0.015 68.982 68.868 0.165 0.000 0.864 1249 T HN 0.440 nan 8.240 nan 0.000 0.455 1250 L N 0.807 122.056 121.223 0.043 0.000 2.456 1250 L HA 0.024 4.364 4.340 -0.000 0.000 0.224 1250 L C 0.743 177.642 176.870 0.049 0.000 1.148 1250 L CA 0.278 55.137 54.840 0.032 0.000 0.825 1250 L CB -0.745 41.284 42.059 -0.051 0.000 0.937 1250 L HN 0.269 nan 8.230 nan 0.000 0.450 1251 N N -0.026 118.708 118.700 0.057 0.000 2.741 1251 N HA -0.261 4.479 4.740 -0.000 0.000 0.251 1251 N C 1.136 176.610 175.510 -0.061 0.000 1.112 1251 N CA 1.272 54.384 53.050 0.104 0.000 0.750 1251 N CB -1.061 37.559 38.487 0.221 0.000 1.119 1251 N HN 0.579 nan 8.380 nan 0.000 0.561 1252 E N 0.581 120.754 120.200 -0.044 0.000 2.051 1252 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 1252 E C 1.545 178.101 176.600 -0.074 0.000 0.991 1252 E CA 1.867 58.230 56.400 -0.062 0.000 0.799 1252 E CB 0.081 29.752 29.700 -0.048 0.000 0.748 1252 E HN 0.536 nan 8.360 nan 0.000 0.449 1253 S N -1.170 114.503 115.700 -0.046 0.000 2.524 1253 S HA 0.352 4.822 4.470 -0.000 0.000 0.216 1253 S C 0.594 175.156 174.600 -0.064 0.000 0.987 1253 S CA 0.130 58.306 58.200 -0.039 0.000 0.909 1253 S CB 1.157 64.355 63.200 -0.002 0.000 0.781 1253 S HN 0.428 nan 8.310 nan 0.000 0.521 1254 G N -0.193 108.549 108.800 -0.095 0.000 2.320 1254 G HA2 0.401 4.361 3.960 -0.000 0.000 0.297 1254 G HA3 0.401 4.361 3.960 -0.000 0.000 0.297 1254 G C -1.191 173.615 174.900 -0.156 0.000 1.344 1254 G CA -1.135 43.851 45.100 -0.190 0.000 0.851 1254 G HN 0.173 nan 8.290 nan 0.000 0.567 1255 F N -1.000 118.935 119.950 -0.025 0.000 2.403 1255 F HA 0.503 5.030 4.527 -0.000 0.000 0.326 1255 F C 1.878 177.286 175.800 -0.654 0.000 1.099 1255 F CA -0.040 57.848 58.000 -0.186 0.000 1.036 1255 F CB 1.467 40.413 39.000 -0.091 0.000 1.336 1255 F HN 0.316 nan 8.300 nan 0.000 0.497 1256 V N 1.523 121.097 119.914 -0.567 0.000 2.380 1256 V HA -0.265 3.855 4.120 -0.000 0.000 0.251 1256 V C 2.241 178.187 176.094 -0.247 0.000 1.063 1256 V CA 2.553 64.497 62.300 -0.593 0.000 1.055 1256 V CB -0.596 31.104 31.823 -0.206 0.000 0.657 1256 V HN 0.847 nan 8.190 nan 0.000 0.455 1257 E N -0.989 119.151 120.200 -0.100 0.000 2.150 1257 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 1257 E C 1.693 178.270 176.600 -0.040 0.000 0.985 1257 E CA 1.746 58.121 56.400 -0.041 0.000 0.814 1257 E CB -0.687 29.021 29.700 0.014 0.000 0.752 1257 E HN 0.700 nan 8.360 nan 0.000 0.466 1258 D N 0.894 121.272 120.400 -0.036 0.000 2.123 1258 D HA -0.067 4.573 4.640 -0.000 0.000 0.200 1258 D C 1.751 178.037 176.300 -0.023 0.000 0.976 1258 D CA 1.629 55.617 54.000 -0.019 0.000 0.831 1258 D CB -0.032 40.760 40.800 -0.013 0.000 0.974 1258 D HN 0.208 nan 8.370 nan 0.000 0.469 1259 T N 1.697 116.229 114.554 -0.036 0.000 2.708 1259 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 1259 T C 2.283 176.961 174.700 -0.036 0.000 1.037 1259 T CA 0.522 62.633 62.100 0.018 0.000 1.146 1259 T CB -0.263 68.677 68.868 0.119 0.000 0.865 1259 T HN 0.089 nan 8.240 nan 0.000 0.435 1260 L N 0.705 121.875 121.223 -0.089 0.000 2.079 1260 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 1260 L C 2.980 179.789 176.870 -0.101 0.000 1.081 1260 L CA 1.227 55.978 54.840 -0.149 0.000 0.752 1260 L CB -0.617 41.294 42.059 -0.245 0.000 0.896 1260 L HN 0.251 nan 8.230 nan 0.000 0.433 1261 A N -0.117 122.667 122.820 -0.059 0.000 1.898 1261 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 1261 A C 2.528 180.096 177.584 -0.026 0.000 1.181 1261 A CA 1.620 53.637 52.037 -0.032 0.000 0.620 1261 A CB -0.655 18.337 19.000 -0.015 0.000 0.819 1261 A HN 0.397 nan 8.150 nan 0.000 0.442 1262 A N -0.035 122.772 122.820 -0.022 0.000 1.933 1262 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 1262 A C 2.064 179.634 177.584 -0.023 0.000 1.175 1262 A CA 1.453 53.481 52.037 -0.015 0.000 0.628 1262 A CB -0.611 18.387 19.000 -0.003 0.000 0.814 1262 A HN 0.501 nan 8.150 nan 0.000 0.444 1263 I N -0.380 120.168 120.570 -0.036 0.000 2.361 1263 I HA -0.118 4.052 4.170 -0.000 0.000 0.251 1263 I C 1.756 177.849 176.117 -0.040 0.000 1.133 1263 I CA 0.871 62.144 61.300 -0.045 0.000 1.413 1263 I CB -0.675 37.285 38.000 -0.068 0.000 1.073 1263 I HN 0.480 nan 8.210 nan 0.000 0.424 1264 G N 1.202 109.980 108.800 -0.037 0.000 2.356 1264 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.296 1264 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.296 1264 G C 1.009 175.897 174.900 -0.020 0.000 1.022 1264 G CA 0.449 45.534 45.100 -0.024 0.000 0.961 1264 G HN 0.903 nan 8.290 nan 0.000 0.510 1265 G N -1.698 107.087 108.800 -0.024 0.000 2.168 1265 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.263 1265 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.263 1265 G C 0.589 175.478 174.900 -0.019 0.000 0.977 1265 G CA 1.093 46.186 45.100 -0.011 0.000 0.659 1265 G HN 1.027 nan 8.290 nan 0.000 0.533 1266 R N 0.525 121.007 120.500 -0.030 0.000 2.490 1266 R HA 0.471 4.811 4.340 -0.000 0.000 0.278 1266 R C 0.488 176.762 176.300 -0.044 0.000 1.069 1266 R CA -0.021 56.058 56.100 -0.034 0.000 1.080 1266 R CB 0.453 30.732 30.300 -0.035 0.000 1.030 1266 R HN 0.153 nan 8.270 nan 0.000 0.491 1267 T N 2.999 117.524 114.554 -0.048 0.000 2.928 1267 T HA 0.212 4.562 4.350 -0.000 0.000 0.305 1267 T C 0.157 174.812 174.700 -0.074 0.000 1.035 1267 T CA 0.436 62.500 62.100 -0.061 0.000 1.145 1267 T CB 0.071 68.899 68.868 -0.067 0.000 0.963 1267 T HN 0.400 nan 8.240 nan 0.000 0.545 1268 I N 1.594 122.116 120.570 -0.079 0.000 2.828 1268 I HA 0.238 4.408 4.170 -0.000 0.000 0.295 1268 I C -0.971 175.110 176.117 -0.059 0.000 1.459 1268 I CA -0.846 60.403 61.300 -0.086 0.000 1.015 1268 I CB 2.132 40.079 38.000 -0.088 0.000 1.345 1268 I HN 0.752 nan 8.210 nan 0.000 0.449 1269 H N 5.452 124.387 119.070 -0.225 0.000 2.597 1269 H HA 0.413 4.969 4.556 -0.000 0.000 0.303 1269 H C -0.827 174.344 175.328 -0.262 0.000 1.057 1269 H CA -0.574 55.342 56.048 -0.221 0.000 1.261 1269 H CB 0.931 30.549 29.762 -0.240 0.000 1.397 1269 H HN 0.604 nan 8.280 nan 0.000 0.461 1270 T N 3.532 118.112 114.554 0.044 0.000 2.729 1270 T HA 0.174 4.524 4.350 -0.000 0.000 0.296 1270 T C -0.008 174.669 174.700 -0.039 0.000 0.928 1270 T CA -0.760 61.283 62.100 -0.094 0.000 1.045 1270 T CB 0.153 68.980 68.868 -0.070 0.000 0.902 1270 T HN 0.194 nan 8.240 nan 0.000 0.500 1271 F N 3.658 123.357 119.950 -0.418 0.000 2.410 1271 F HA 0.240 4.767 4.527 -0.000 0.000 0.334 1271 F C 1.527 176.941 175.800 -0.643 0.000 1.134 1271 F CA -1.006 56.645 58.000 -0.580 0.000 1.227 1271 F CB -0.148 38.355 39.000 -0.828 0.000 1.194 1271 F HN 0.940 nan 8.300 nan 0.000 0.571 1272 H N -0.962 118.255 119.070 0.246 0.000 2.166 1272 H HA -0.205 4.351 4.556 -0.000 0.000 0.323 1272 H C 0.765 176.149 175.328 0.094 0.000 0.936 1272 H CA 0.437 56.571 56.048 0.144 0.000 1.073 1272 H CB -2.467 27.349 29.762 0.090 0.000 1.592 1272 H HN 0.521 nan 8.280 nan 0.000 0.346 1273 T N -0.877 113.755 114.554 0.131 0.000 2.897 1273 T HA -0.239 4.111 4.350 -0.000 0.000 0.271 1273 T C 1.757 176.600 174.700 0.239 0.000 1.084 1273 T CA 1.315 63.447 62.100 0.054 0.000 1.123 1273 T CB 0.032 68.683 68.868 -0.361 0.000 0.865 1273 T HN 0.700 nan 8.240 nan 0.000 0.496 1274 E N 0.806 121.224 120.200 0.363 0.000 2.150 1274 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 1274 E C 1.923 178.587 176.600 0.106 0.000 0.985 1274 E CA 1.227 57.783 56.400 0.261 0.000 0.814 1274 E CB -0.282 29.535 29.700 0.196 0.000 0.752 1274 E HN 0.595 nan 8.360 nan 0.000 0.466 1275 G N -0.118 108.733 108.800 0.085 0.000 2.391 1275 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.204 1275 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.204 1275 G C 1.401 176.231 174.900 -0.117 0.000 1.012 1275 G CA 0.609 45.697 45.100 -0.021 0.000 0.651 1275 G HN 0.555 nan 8.290 nan 0.000 0.494 1276 A N 0.792 123.555 122.820 -0.094 0.000 1.948 1276 A HA 0.284 4.604 4.320 -0.000 0.000 0.220 1276 A C 2.596 180.082 177.584 -0.163 0.000 1.177 1276 A CA 2.558 54.533 52.037 -0.104 0.000 0.636 1276 A CB -0.890 18.078 19.000 -0.054 0.000 0.815 1276 A HN 1.691 nan 8.150 nan 0.000 0.449 1277 G N -1.703 106.928 108.800 -0.280 0.000 2.920 1277 G HA2 0.452 4.412 3.960 -0.000 0.000 0.208 1277 G HA3 0.452 4.412 3.960 -0.000 0.000 0.208 1277 G C 0.641 174.960 174.900 -0.970 0.000 1.159 1277 G CA 0.715 45.496 45.100 -0.532 0.000 0.784 1277 G HN 1.636 nan 8.290 nan 0.000 0.535 1278 G N -2.036 106.299 108.800 -0.776 0.000 2.521 1278 G HA2 0.569 4.529 3.960 -0.000 0.000 0.589 1278 G HA3 0.569 4.529 3.960 -0.000 0.000 0.589 1278 G C -0.285 174.313 174.900 -0.502 0.000 1.501 1278 G CA -0.128 44.514 45.100 -0.763 0.000 0.887 1278 G HN 1.780 nan 8.290 nan 0.000 0.654 1279 G N 0.695 109.357 108.800 -0.230 0.000 2.321 1279 G HA2 0.486 4.446 3.960 -0.000 0.000 0.339 1279 G HA3 0.486 4.446 3.960 -0.000 0.000 0.339 1279 G C -0.501 174.394 174.900 -0.009 0.000 1.518 1279 G CA -0.479 44.575 45.100 -0.076 0.000 0.994 1279 G HN 1.366 nan 8.290 nan 0.000 0.668 1280 H N 0.144 119.245 119.070 0.052 0.000 3.232 1280 H HA 0.235 4.791 4.556 -0.000 0.000 0.276 1280 H C 1.108 176.465 175.328 0.048 0.000 0.882 1280 H CA 1.521 57.616 56.048 0.078 0.000 1.415 1280 H CB 0.519 30.340 29.762 0.097 0.000 1.405 1280 H HN 0.937 nan 8.280 nan 0.000 0.543 1281 A N 7.023 129.938 122.820 0.159 0.000 2.328 1281 A HA 0.272 4.592 4.320 -0.000 0.000 0.284 1281 A C -1.557 176.066 177.584 0.065 0.000 1.160 1281 A CA -1.212 50.856 52.037 0.052 0.000 0.818 1281 A CB 0.616 19.641 19.000 0.041 0.000 1.087 1281 A HN 0.544 nan 8.150 nan 0.000 0.504 1282 P HA 0.177 nan 4.420 nan 0.000 0.290 1282 P C -0.704 176.550 177.300 -0.077 0.000 1.519 1282 P CA 0.121 63.110 63.100 -0.185 0.000 1.189 1282 P CB 0.509 31.880 31.700 -0.548 0.000 1.569 1283 D N -0.866 119.541 120.400 0.011 0.000 2.559 1283 D HA 0.040 4.680 4.640 -0.000 0.000 0.234 1283 D C 1.223 177.562 176.300 0.064 0.000 1.226 1283 D CA -0.648 53.371 54.000 0.031 0.000 0.830 1283 D CB -0.501 40.311 40.800 0.019 0.000 1.028 1283 D HN -0.034 nan 8.370 nan 0.000 0.492 1284 I N 0.497 121.122 120.570 0.091 0.000 2.567 1284 I HA -0.043 4.127 4.170 -0.000 0.000 0.257 1284 I C 1.627 177.803 176.117 0.098 0.000 1.184 1284 I CA 0.703 62.069 61.300 0.111 0.000 1.451 1284 I CB -0.149 37.927 38.000 0.126 0.000 1.089 1284 I HN 0.216 nan 8.210 nan 0.000 0.441 1285 I N 0.361 120.997 120.570 0.109 0.000 2.567 1285 I HA -0.294 3.876 4.170 -0.000 0.000 0.257 1285 I C 2.072 178.282 176.117 0.155 0.000 1.184 1285 I CA 1.728 63.129 61.300 0.169 0.000 1.451 1285 I CB -0.315 37.785 38.000 0.166 0.000 1.089 1285 I HN 0.476 nan 8.210 nan 0.000 0.441 1286 T N -1.404 113.217 114.554 0.111 0.000 3.098 1286 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 1286 T C 1.820 176.615 174.700 0.158 0.000 1.145 1286 T CA 0.707 62.875 62.100 0.114 0.000 1.092 1286 T CB -0.433 68.490 68.868 0.092 0.000 0.908 1286 T HN 0.394 nan 8.240 nan 0.000 0.526 1287 A N 1.406 124.302 122.820 0.126 0.000 1.972 1287 A HA -0.067 4.252 4.320 -0.000 0.000 0.219 1287 A C 2.651 180.324 177.584 0.149 0.000 1.169 1287 A CA 1.368 53.479 52.037 0.123 0.000 0.635 1287 A CB -1.550 17.459 19.000 0.015 0.000 0.810 1287 A HN 1.002 nan 8.150 nan 0.000 0.446 1288 C N -1.734 117.616 119.300 0.084 0.000 2.460 1288 C HA 0.394 4.854 4.460 -0.000 0.000 0.291 1288 C C 2.365 177.391 174.990 0.061 0.000 1.493 1288 C CA 0.039 59.085 59.018 0.047 0.000 1.748 1288 C CB -1.814 25.986 27.740 0.101 0.000 1.656 1288 C HN 0.637 nan 8.230 nan 0.000 0.576 1289 A N -0.602 122.257 122.820 0.064 0.000 2.132 1289 A HA 0.154 4.474 4.320 -0.000 0.000 0.213 1289 A C 0.942 178.409 177.584 -0.196 0.000 1.154 1289 A CA 0.192 52.181 52.037 -0.080 0.000 0.753 1289 A CB -0.559 18.346 19.000 -0.158 0.000 0.826 1289 A HN 0.847 nan 8.150 nan 0.000 0.469 1290 H N -0.005 119.058 119.070 -0.011 0.000 2.487 1290 H HA 0.165 4.721 4.556 -0.000 0.000 0.333 1290 H C -1.630 173.684 175.328 -0.024 0.000 1.114 1290 H CA -1.492 54.546 56.048 -0.017 0.000 1.310 1290 H CB 1.165 30.915 29.762 -0.019 0.000 1.462 1290 H HN 0.162 nan 8.280 nan 0.000 0.516 1291 P HA -0.141 nan 4.420 nan 0.000 0.221 1291 P C 0.788 178.098 177.300 0.017 0.000 1.150 1291 P CA 1.081 64.196 63.100 0.025 0.000 0.800 1291 P CB 0.359 32.067 31.700 0.013 0.000 0.787 1292 N N -0.383 118.337 118.700 0.033 0.000 2.336 1292 N HA 0.012 4.752 4.740 -0.000 0.000 0.189 1292 N C 0.321 175.818 175.510 -0.021 0.000 1.113 1292 N CA 0.156 53.204 53.050 -0.003 0.000 0.858 1292 N CB -0.047 38.437 38.487 -0.006 0.000 0.970 1292 N HN 0.114 nan 8.380 nan 0.000 0.471 1293 I N 1.999 122.566 120.570 -0.005 0.000 2.331 1293 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 1293 I C -0.361 175.720 176.117 -0.059 0.000 0.998 1293 I CA -0.755 60.526 61.300 -0.031 0.000 1.267 1293 I CB 1.566 39.560 38.000 -0.010 0.000 1.386 1293 I HN -0.076 nan 8.210 nan 0.000 0.476 1294 L N 8.739 129.913 121.223 -0.082 0.000 2.297 1294 L HA 0.419 4.759 4.340 -0.000 0.000 0.277 1294 L C -2.221 174.583 176.870 -0.110 0.000 1.040 1294 L CA -1.884 52.876 54.840 -0.132 0.000 0.867 1294 L CB 0.685 42.616 42.059 -0.213 0.000 1.244 1294 L HN 0.269 nan 8.230 nan 0.000 0.433 1295 P HA 0.344 nan 4.420 nan 0.000 0.290 1295 P C -0.616 176.548 177.300 -0.227 0.000 1.276 1295 P CA -0.237 62.709 63.100 -0.257 0.000 0.808 1295 P CB 1.979 33.351 31.700 -0.546 0.000 0.966 1296 S N 1.579 117.248 115.700 -0.052 0.000 2.634 1296 S HA 0.719 5.189 4.470 -0.000 0.000 0.296 1296 S C -0.429 174.261 174.600 0.149 0.000 1.104 1296 S CA -0.687 57.588 58.200 0.126 0.000 0.920 1296 S CB 1.257 64.701 63.200 0.407 0.000 1.111 1296 S HN 0.316 nan 8.310 nan 0.000 0.493 1297 S N 1.209 117.099 115.700 0.317 0.000 2.568 1297 S HA 0.793 5.263 4.470 -0.000 0.000 0.302 1297 S C -0.014 174.718 174.600 0.220 0.000 1.082 1297 S CA -0.755 57.669 58.200 0.372 0.000 1.009 1297 S CB 1.638 65.203 63.200 0.609 0.000 1.069 1297 S HN 0.988 nan 8.310 nan 0.000 0.500 1298 T N 0.061 114.717 114.554 0.170 0.000 2.881 1298 T HA 0.310 4.660 4.350 -0.000 0.000 0.278 1298 T C 0.932 175.658 174.700 0.045 0.000 0.982 1298 T CA -0.792 61.330 62.100 0.037 0.000 0.989 1298 T CB 0.463 69.319 68.868 -0.019 0.000 1.058 1298 T HN 0.588 nan 8.240 nan 0.000 0.529 1299 N N -0.446 118.244 118.700 -0.015 0.000 2.422 1299 N HA 0.104 4.844 4.740 -0.000 0.000 0.181 1299 N C -1.615 173.907 175.510 0.020 0.000 1.080 1299 N CA -0.534 52.512 53.050 -0.007 0.000 0.893 1299 N CB -1.291 37.168 38.487 -0.047 0.000 0.973 1299 N HN 0.367 nan 8.380 nan 0.000 0.456 1300 P HA -0.036 nan 4.420 nan 0.000 0.220 1300 P C 0.891 178.311 177.300 0.201 0.000 1.148 1300 P CA 1.572 64.736 63.100 0.108 0.000 0.803 1300 P CB -0.186 31.559 31.700 0.076 0.000 0.782 1301 T N -4.088 110.551 114.554 0.141 0.000 3.129 1301 T HA 0.172 4.522 4.350 -0.000 0.000 0.251 1301 T C 0.476 175.215 174.700 0.066 0.000 1.117 1301 T CA 0.126 62.258 62.100 0.053 0.000 1.034 1301 T CB -0.611 68.252 68.868 -0.009 0.000 0.968 1301 T HN -0.041 nan 8.240 nan 0.000 0.526 1302 L N 3.209 124.472 121.223 0.066 0.000 2.294 1302 L HA 0.527 4.867 4.340 -0.000 0.000 0.283 1302 L C -2.448 174.448 176.870 0.043 0.000 1.015 1302 L CA -2.330 52.539 54.840 0.048 0.000 0.831 1302 L CB 1.829 43.891 42.059 0.005 0.000 1.217 1302 L HN -0.015 nan 8.230 nan 0.000 0.420 1303 P HA 0.125 nan 4.420 nan 0.000 0.289 1303 P C -1.332 176.056 177.300 0.146 0.000 1.300 1303 P CA -0.723 62.435 63.100 0.097 0.000 0.828 1303 P CB 1.122 32.877 31.700 0.092 0.000 1.235 1304 Y N 1.508 121.812 120.300 0.006 0.000 2.569 1304 Y HA 0.298 4.848 4.550 -0.000 0.000 0.332 1304 Y C 0.371 176.274 175.900 0.006 0.000 1.120 1304 Y CA 0.312 58.408 58.100 -0.007 0.000 1.416 1304 Y CB -0.637 37.815 38.460 -0.012 0.000 1.210 1304 Y HN 0.413 nan 8.280 nan 0.000 0.528 1305 T N 2.608 117.107 114.554 -0.091 0.000 2.831 1305 T HA 0.399 4.749 4.350 -0.000 0.000 0.287 1305 T C 1.016 175.572 174.700 -0.240 0.000 1.070 1305 T CA -0.818 61.168 62.100 -0.190 0.000 1.010 1305 T CB 0.775 69.616 68.868 -0.045 0.000 1.264 1305 T HN 0.564 nan 8.240 nan 0.000 0.532 1306 L N 0.546 121.670 121.223 -0.163 0.000 2.042 1306 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 1306 L C 2.272 179.119 176.870 -0.037 0.000 1.076 1306 L CA 1.334 56.107 54.840 -0.112 0.000 0.749 1306 L CB -0.519 41.498 42.059 -0.070 0.000 0.893 1306 L HN 0.665 nan 8.230 nan 0.000 0.432 1307 N N -1.158 117.537 118.700 -0.008 0.000 2.398 1307 N HA -0.035 4.705 4.740 -0.000 0.000 0.188 1307 N C 1.610 177.162 175.510 0.070 0.000 1.122 1307 N CA 0.616 53.682 53.050 0.027 0.000 0.866 1307 N CB 0.148 38.648 38.487 0.023 0.000 0.970 1307 N HN 0.276 nan 8.380 nan 0.000 0.462 1308 T N 2.302 116.909 114.554 0.088 0.000 2.597 1308 T HA -0.116 4.233 4.350 -0.000 0.000 0.267 1308 T C 1.979 176.765 174.700 0.145 0.000 1.053 1308 T CA 0.874 63.059 62.100 0.142 0.000 1.165 1308 T CB -0.000 68.958 68.868 0.150 0.000 0.863 1308 T HN 0.112 nan 8.240 nan 0.000 0.427 1309 I N 1.832 122.462 120.570 0.101 0.000 2.179 1309 I HA -0.141 4.028 4.170 -0.000 0.000 0.242 1309 I C 2.288 178.461 176.117 0.094 0.000 1.088 1309 I CA 1.426 62.768 61.300 0.071 0.000 1.357 1309 I CB -1.313 36.731 38.000 0.073 0.000 1.051 1309 I HN 0.230 nan 8.210 nan 0.000 0.409 1310 D N 0.958 121.405 120.400 0.079 0.000 2.116 1310 D HA -0.238 4.402 4.640 -0.000 0.000 0.193 1310 D C 2.045 178.380 176.300 0.059 0.000 0.998 1310 D CA 1.802 55.836 54.000 0.057 0.000 0.836 1310 D CB -0.186 40.638 40.800 0.040 0.000 0.951 1310 D HN 0.632 nan 8.370 nan 0.000 0.449 1311 E N -0.062 120.185 120.200 0.078 0.000 2.150 1311 E HA -0.197 4.152 4.350 -0.000 0.000 0.193 1311 E C 1.814 178.419 176.600 0.008 0.000 0.985 1311 E CA 1.100 57.521 56.400 0.035 0.000 0.814 1311 E CB -0.465 29.250 29.700 0.025 0.000 0.752 1311 E HN 0.331 nan 8.360 nan 0.000 0.466 1312 H N 0.690 119.744 119.070 -0.026 0.000 2.421 1312 H HA -0.008 4.548 4.556 -0.000 0.000 0.298 1312 H C 1.939 177.232 175.328 -0.058 0.000 1.087 1312 H CA 1.721 57.742 56.048 -0.045 0.000 1.330 1312 H CB -0.083 29.654 29.762 -0.042 0.000 1.388 1312 H HN 0.158 nan 8.280 nan 0.000 0.526 1313 L N -0.229 121.028 121.223 0.057 0.000 2.012 1313 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 1313 L C 1.802 178.655 176.870 -0.029 0.000 1.073 1313 L CA 1.449 56.291 54.840 0.004 0.000 0.748 1313 L CB -0.282 41.784 42.059 0.011 0.000 0.891 1313 L HN 0.294 nan 8.230 nan 0.000 0.431 1314 D N -0.433 119.947 120.400 -0.035 0.000 2.249 1314 D HA -0.103 4.537 4.640 -0.000 0.000 0.205 1314 D C 2.193 178.446 176.300 -0.078 0.000 0.962 1314 D CA 0.823 54.794 54.000 -0.049 0.000 0.860 1314 D CB 0.209 40.985 40.800 -0.040 0.000 0.955 1314 D HN 0.323 nan 8.370 nan 0.000 0.505 1315 M N 0.436 119.968 119.600 -0.112 0.000 2.476 1315 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 1315 M C 1.708 177.927 176.300 -0.135 0.000 1.079 1315 M CA 0.689 55.896 55.300 -0.155 0.000 1.104 1315 M CB 0.337 32.783 32.600 -0.258 0.000 1.409 1315 M HN -0.017 nan 8.290 nan 0.000 0.467 1316 L N -0.046 121.109 121.223 -0.113 0.000 2.269 1316 L HA 0.162 4.502 4.340 -0.000 0.000 0.200 1316 L C 1.037 177.860 176.870 -0.078 0.000 1.069 1316 L CA 0.434 55.208 54.840 -0.110 0.000 0.804 1316 L CB -0.168 41.809 42.059 -0.137 0.000 0.987 1316 L HN 0.111 nan 8.230 nan 0.000 0.468 1332 F N 0.442 120.406 119.950 0.023 0.000 2.804 1332 F HA 0.582 5.109 4.527 -0.000 0.000 0.303 1332 F C 1.655 177.462 175.800 0.011 0.000 1.154 1332 F CA 0.587 58.599 58.000 0.020 0.000 1.401 1332 F CB -0.115 38.895 39.000 0.016 0.000 1.106 1332 F HN 0.214 nan 8.300 nan 0.000 0.568 1333 A N 1.383 124.138 122.820 -0.108 0.000 1.854 1333 A HA -0.113 4.207 4.320 -0.000 0.000 0.214 1333 A C 2.114 179.628 177.584 -0.118 0.000 1.192 1333 A CA 1.326 53.223 52.037 -0.232 0.000 0.611 1333 A CB -0.652 18.289 19.000 -0.098 0.000 0.832 1333 A HN 0.522 nan 8.150 nan 0.000 0.442 1334 E N 0.333 120.524 120.200 -0.016 0.000 2.516 1334 E HA -0.069 4.281 4.350 -0.000 0.000 0.199 1334 E C 1.866 178.488 176.600 0.036 0.000 1.069 1334 E CA 0.794 57.207 56.400 0.023 0.000 0.876 1334 E CB -0.046 29.692 29.700 0.064 0.000 0.843 1334 E HN 0.782 nan 8.360 nan 0.000 0.530 1335 S N -0.289 115.413 115.700 0.004 0.000 2.492 1335 S HA 0.084 4.554 4.470 -0.000 0.000 0.218 1335 S C 1.862 176.365 174.600 -0.160 0.000 1.016 1335 S CA -0.156 58.026 58.200 -0.030 0.000 0.916 1335 S CB 0.306 63.551 63.200 0.074 0.000 0.791 1335 S HN 0.061 nan 8.310 nan 0.000 0.513 1336 R N 0.065 120.467 120.500 -0.164 0.000 2.105 1336 R HA 0.322 4.662 4.340 -0.000 0.000 0.214 1336 R C -0.147 176.049 176.300 -0.173 0.000 1.091 1336 R CA 0.456 56.438 56.100 -0.197 0.000 1.007 1336 R CB 0.130 30.258 30.300 -0.287 0.000 0.912 1336 R HN 0.327 nan 8.270 nan 0.000 0.450 1337 I N 2.773 123.259 120.570 -0.139 0.000 2.291 1337 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 1337 I C -0.583 175.477 176.117 -0.095 0.000 1.064 1337 I CA 0.221 61.457 61.300 -0.108 0.000 1.269 1337 I CB 0.822 38.787 38.000 -0.057 0.000 1.418 1337 I HN 0.090 nan 8.210 nan 0.000 0.485 1338 R N 4.810 125.234 120.500 -0.126 0.000 2.476 1338 R HA 0.380 4.720 4.340 -0.000 0.000 0.305 1338 R C 1.061 177.289 176.300 -0.120 0.000 0.965 1338 R CA -0.748 55.301 56.100 -0.085 0.000 0.867 1338 R CB 2.422 32.638 30.300 -0.139 0.000 1.176 1338 R HN 0.445 nan 8.270 nan 0.000 0.447 1339 R N 1.806 122.255 120.500 -0.084 0.000 2.120 1339 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 1339 R C 0.543 176.704 176.300 -0.232 0.000 1.123 1339 R CA 1.817 57.812 56.100 -0.176 0.000 0.975 1339 R CB 0.302 30.578 30.300 -0.039 0.000 0.866 1339 R HN 0.585 nan 8.270 nan 0.000 0.446 1340 E N -0.474 119.672 120.200 -0.090 0.000 2.051 1340 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 1340 E C 2.003 178.539 176.600 -0.107 0.000 0.991 1340 E CA 2.246 58.608 56.400 -0.062 0.000 0.799 1340 E CB -0.219 29.510 29.700 0.048 0.000 0.748 1340 E HN 0.544 nan 8.360 nan 0.000 0.449 1341 T N -1.177 113.312 114.554 -0.108 0.000 2.942 1341 T HA 0.020 4.370 4.350 -0.000 0.000 0.265 1341 T C 1.997 176.593 174.700 -0.172 0.000 1.062 1341 T CA 0.535 62.567 62.100 -0.114 0.000 1.139 1341 T CB -0.257 68.558 68.868 -0.088 0.000 0.883 1341 T HN 0.026 nan 8.240 nan 0.000 0.468 1342 I N 1.695 122.114 120.570 -0.252 0.000 2.252 1342 I HA -0.058 4.112 4.170 -0.000 0.000 0.245 1342 I C 3.147 179.024 176.117 -0.400 0.000 1.102 1342 I CA 1.140 62.246 61.300 -0.324 0.000 1.385 1342 I CB -0.486 37.259 38.000 -0.426 0.000 1.064 1342 I HN 0.335 nan 8.210 nan 0.000 0.414 1343 A N 0.643 123.141 122.820 -0.538 0.000 1.930 1343 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 1343 A C 2.521 180.014 177.584 -0.151 0.000 1.175 1343 A CA 1.625 53.424 52.037 -0.396 0.000 0.627 1343 A CB -0.699 18.105 19.000 -0.327 0.000 0.815 1343 A HN 0.413 nan 8.150 nan 0.000 0.443 1344 A N -0.194 122.533 122.820 -0.155 0.000 1.898 1344 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 1344 A C 1.985 179.458 177.584 -0.186 0.000 1.181 1344 A CA 1.739 53.700 52.037 -0.126 0.000 0.620 1344 A CB -0.586 18.348 19.000 -0.110 0.000 0.819 1344 A HN 0.678 nan 8.150 nan 0.000 0.442 1345 E N 0.069 120.126 120.200 -0.239 0.000 2.114 1345 E HA -0.312 4.038 4.350 -0.000 0.000 0.199 1345 E C 1.268 177.733 176.600 -0.225 0.000 1.008 1345 E CA 1.780 57.950 56.400 -0.383 0.000 0.810 1345 E CB -0.213 29.349 29.700 -0.230 0.000 0.739 1345 E HN 0.567 nan 8.360 nan 0.000 0.456 1346 D N -0.056 120.315 120.400 -0.049 0.000 2.104 1346 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 1346 D C 2.082 178.423 176.300 0.069 0.000 0.994 1346 D CA 1.388 55.430 54.000 0.069 0.000 0.830 1346 D CB -0.340 40.515 40.800 0.092 0.000 0.959 1346 D HN 0.144 nan 8.370 nan 0.000 0.452 1347 V N 0.938 120.856 119.914 0.006 0.000 2.343 1347 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 1347 V C 2.580 178.658 176.094 -0.026 0.000 1.051 1347 V CA 1.062 63.370 62.300 0.014 0.000 1.036 1347 V CB -0.512 31.309 31.823 -0.003 0.000 0.654 1347 V HN 0.209 nan 8.190 nan 0.000 0.451 1348 L N -0.873 120.258 121.223 -0.153 0.000 2.191 1348 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 1348 L C 2.440 179.196 176.870 -0.189 0.000 1.103 1348 L CA 1.618 56.322 54.840 -0.226 0.000 0.769 1348 L CB -0.684 41.079 42.059 -0.494 0.000 0.908 1348 L HN 0.421 nan 8.230 nan 0.000 0.438 1349 H N -1.048 117.927 119.070 -0.158 0.000 2.363 1349 H HA -0.164 4.392 4.556 -0.000 0.000 0.301 1349 H C 1.920 177.160 175.328 -0.147 0.000 1.074 1349 H CA 1.471 57.450 56.048 -0.115 0.000 1.354 1349 H CB 0.227 29.940 29.762 -0.082 0.000 1.397 1349 H HN 0.183 nan 8.280 nan 0.000 0.516 1350 D N -0.083 120.403 120.400 0.144 0.000 2.178 1350 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 1350 D C 1.654 178.027 176.300 0.122 0.000 0.980 1350 D CA 0.705 54.828 54.000 0.205 0.000 0.842 1350 D CB 0.038 40.983 40.800 0.242 0.000 0.948 1350 D HN 0.320 nan 8.370 nan 0.000 0.472 1351 L N -1.443 119.824 121.223 0.072 0.000 2.418 1351 L HA 0.213 4.553 4.340 -0.000 0.000 0.218 1351 L C 1.626 178.536 176.870 0.067 0.000 1.125 1351 L CA 0.560 55.442 54.840 0.071 0.000 0.835 1351 L CB 0.005 42.090 42.059 0.044 0.000 0.953 1351 L HN 0.241 nan 8.230 nan 0.000 0.454 1352 G N -0.554 108.265 108.800 0.031 0.000 2.131 1352 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.223 1352 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.223 1352 G C 0.910 175.836 174.900 0.043 0.000 0.990 1352 G CA 0.368 45.487 45.100 0.032 0.000 0.671 1352 G HN 0.390 nan 8.290 nan 0.000 0.521 1353 A N -0.877 121.976 122.820 0.055 0.000 1.970 1353 A HA 0.603 4.923 4.320 -0.000 0.000 0.216 1353 A C 0.681 178.391 177.584 0.209 0.000 1.170 1353 A CA 0.875 52.980 52.037 0.113 0.000 0.645 1353 A CB -0.000 19.073 19.000 0.122 0.000 0.816 1353 A HN 0.594 nan 8.150 nan 0.000 0.447 1354 F N -0.095 119.713 119.950 -0.236 0.000 2.415 1354 F HA 0.420 4.947 4.527 -0.000 0.000 0.348 1354 F C 1.188 176.853 175.800 -0.225 0.000 1.119 1354 F CA -1.060 56.735 58.000 -0.342 0.000 1.069 1354 F CB 1.887 40.368 39.000 -0.866 0.000 1.124 1354 F HN -0.013 nan 8.300 nan 0.000 0.472 1355 S N 2.421 118.106 115.700 -0.026 0.000 2.503 1355 S HA 0.302 4.772 4.470 -0.000 0.000 0.215 1355 S C -0.054 174.566 174.600 0.034 0.000 1.003 1355 S CA 0.112 58.307 58.200 -0.008 0.000 0.910 1355 S CB 0.262 63.426 63.200 -0.059 0.000 0.790 1355 S HN 0.255 nan 8.310 nan 0.000 0.514 1356 L N 1.121 122.403 121.223 0.098 0.000 2.359 1356 L HA 0.614 4.954 4.340 -0.000 0.000 0.256 1356 L C -0.179 176.851 176.870 0.266 0.000 1.026 1356 L CA -0.433 54.490 54.840 0.137 0.000 0.828 1356 L CB 1.698 43.804 42.059 0.078 0.000 1.406 1356 L HN 0.029 nan 8.230 nan 0.000 0.413 1357 T N -2.240 112.428 114.554 0.190 0.000 2.900 1357 T HA 0.929 5.279 4.350 -0.000 0.000 0.295 1357 T C -0.447 174.321 174.700 0.112 0.000 1.044 1357 T CA -0.518 61.670 62.100 0.146 0.000 0.995 1357 T CB 1.838 70.729 68.868 0.039 0.000 1.072 1357 T HN 0.803 nan 8.240 nan 0.000 0.473 1358 S N 0.540 116.280 115.700 0.067 0.000 2.776 1358 S HA 0.707 5.177 4.470 -0.000 0.000 0.292 1358 S C 0.878 175.442 174.600 -0.060 0.000 1.187 1358 S CA -0.061 58.148 58.200 0.015 0.000 0.834 1358 S CB 1.142 64.361 63.200 0.031 0.000 1.199 1358 S HN 1.146 nan 8.310 nan 0.000 0.514 1359 S N -0.053 115.578 115.700 -0.115 0.000 2.527 1359 S HA 0.266 4.736 4.470 -0.000 0.000 0.225 1359 S C 0.232 174.679 174.600 -0.255 0.000 1.046 1359 S CA 1.093 59.201 58.200 -0.154 0.000 0.929 1359 S CB -0.723 62.397 63.200 -0.134 0.000 0.851 1359 S HN 1.220 nan 8.310 nan 0.000 0.565 1360 D N 1.755 121.928 120.400 -0.379 0.000 2.813 1360 D HA -0.128 4.512 4.640 -0.000 0.000 0.241 1360 D C -0.400 175.781 176.300 -0.198 0.000 1.071 1360 D CA 0.708 54.391 54.000 -0.529 0.000 0.747 1360 D CB -1.876 38.552 40.800 -0.620 0.000 1.077 1360 D HN 0.664 nan 8.370 nan 0.000 0.436 1361 S N 0.886 116.520 115.700 -0.109 0.000 2.885 1361 S HA 0.013 4.483 4.470 -0.000 0.000 0.334 1361 S C 1.066 175.600 174.600 -0.110 0.000 1.224 1361 S CA 0.992 59.131 58.200 -0.102 0.000 1.080 1361 S CB 0.873 64.006 63.200 -0.112 0.000 0.801 1361 S HN 0.458 nan 8.310 nan 0.000 0.510 1362 Q N 0.097 119.819 119.800 -0.131 0.000 2.468 1362 Q HA -0.282 4.058 4.340 -0.000 0.000 0.256 1362 Q C 0.334 176.207 176.000 -0.212 0.000 0.984 1362 Q CA 1.075 56.796 55.803 -0.136 0.000 1.110 1362 Q CB -2.050 26.647 28.738 -0.069 0.000 1.527 1362 Q HN 1.222 nan 8.270 nan 0.000 0.535 1363 A N 0.140 122.779 122.820 -0.302 0.000 3.234 1363 A HA 0.584 4.904 4.320 -0.000 0.000 0.247 1363 A C 0.395 177.828 177.584 -0.251 0.000 0.938 1363 A CA 0.127 51.936 52.037 -0.379 0.000 1.039 1363 A CB 0.441 18.898 19.000 -0.905 0.000 1.197 1363 A HN 0.347 nan 8.150 nan 0.000 0.498 1364 M N -1.237 118.238 119.600 -0.208 0.000 2.665 1364 M HA -0.143 4.337 4.480 -0.000 0.000 0.217 1364 M C 0.152 176.347 176.300 -0.174 0.000 0.487 1364 M CA 0.934 56.120 55.300 -0.190 0.000 0.657 1364 M CB -1.376 31.129 32.600 -0.158 0.000 2.412 1364 M HN 1.171 nan 8.290 nan 0.000 0.767 1365 G N 0.598 109.294 108.800 -0.174 0.000 2.655 1365 G HA2 0.647 4.607 3.960 -0.000 0.000 0.296 1365 G HA3 0.647 4.607 3.960 -0.000 0.000 0.296 1365 G C -1.329 173.488 174.900 -0.138 0.000 1.485 1365 G CA -1.128 43.879 45.100 -0.155 0.000 0.869 1365 G HN 0.262 nan 8.290 nan 0.000 0.540 1366 R N 1.964 122.392 120.500 -0.120 0.000 2.239 1366 R HA 0.362 4.702 4.340 -0.000 0.000 0.332 1366 R C 1.085 177.320 176.300 -0.108 0.000 0.988 1366 R CA -0.707 55.326 56.100 -0.112 0.000 0.859 1366 R CB 2.004 32.238 30.300 -0.109 0.000 1.148 1366 R HN 0.328 nan 8.270 nan 0.000 0.482 1367 V N 2.934 122.787 119.914 -0.102 0.000 2.453 1367 V HA -0.176 3.944 4.120 -0.000 0.000 0.252 1367 V C 1.508 177.552 176.094 -0.084 0.000 1.068 1367 V CA 2.580 64.823 62.300 -0.095 0.000 1.070 1367 V CB -0.109 31.663 31.823 -0.085 0.000 0.664 1367 V HN 1.000 nan 8.190 nan 0.000 0.461 1368 G N -1.454 107.297 108.800 -0.083 0.000 3.284 1368 G HA2 0.110 4.070 3.960 -0.000 0.000 0.236 1368 G HA3 0.110 4.070 3.960 -0.000 0.000 0.236 1368 G C 0.769 175.621 174.900 -0.079 0.000 1.158 1368 G CA 0.076 45.132 45.100 -0.074 0.000 0.774 1368 G HN 0.610 nan 8.290 nan 0.000 0.545 1369 E N 0.131 120.273 120.200 -0.096 0.000 2.734 1369 E HA 0.161 4.511 4.350 -0.000 0.000 0.211 1369 E C 1.395 177.927 176.600 -0.112 0.000 0.991 1369 E CA -0.252 56.090 56.400 -0.097 0.000 1.065 1369 E CB 1.107 30.744 29.700 -0.105 0.000 1.047 1369 E HN 0.195 nan 8.360 nan 0.000 0.470 1370 V N 0.686 120.518 119.914 -0.136 0.000 2.283 1370 V HA -0.238 3.882 4.120 -0.000 0.000 0.243 1370 V C 2.154 178.069 176.094 -0.297 0.000 1.039 1370 V CA 1.486 63.681 62.300 -0.175 0.000 1.016 1370 V CB -0.254 31.473 31.823 -0.159 0.000 0.650 1370 V HN 0.367 nan 8.190 nan 0.000 0.449 1371 I N -0.181 120.147 120.570 -0.403 0.000 2.163 1371 I HA -0.248 3.922 4.170 -0.000 0.000 0.240 1371 I C 2.484 178.457 176.117 -0.240 0.000 1.081 1371 I CA 1.681 62.623 61.300 -0.597 0.000 1.353 1371 I CB -0.399 37.318 38.000 -0.471 0.000 1.054 1371 I HN 0.292 nan 8.210 nan 0.000 0.407 1372 L N 1.046 122.206 121.223 -0.106 0.000 2.013 1372 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 1372 L C 2.818 179.688 176.870 -0.001 0.000 1.073 1372 L CA 1.778 56.614 54.840 -0.005 0.000 0.753 1372 L CB -0.285 41.779 42.059 0.008 0.000 0.890 1372 L HN 0.146 nan 8.230 nan 0.000 0.432 1373 R N -1.149 119.314 120.500 -0.061 0.000 2.115 1373 R HA -0.085 4.255 4.340 -0.000 0.000 0.226 1373 R C 2.110 178.364 176.300 -0.078 0.000 1.100 1373 R CA 1.603 57.674 56.100 -0.049 0.000 0.980 1373 R CB -0.429 29.839 30.300 -0.053 0.000 0.875 1373 R HN 0.418 nan 8.270 nan 0.000 0.445 1374 T N -0.207 114.241 114.554 -0.177 0.000 2.788 1374 T HA -0.155 4.194 4.350 -0.000 0.000 0.268 1374 T C 1.157 175.680 174.700 -0.296 0.000 1.044 1374 T CA 1.209 63.162 62.100 -0.246 0.000 1.139 1374 T CB -0.163 68.507 68.868 -0.331 0.000 0.867 1374 T HN 0.450 nan 8.240 nan 0.000 0.454 1375 W N 1.399 122.709 121.300 0.018 0.000 2.518 1375 W HA 0.065 4.725 4.660 -0.000 0.000 0.273 1375 W C 2.567 179.055 176.519 -0.052 0.000 1.247 1375 W CA -0.140 57.187 57.345 -0.030 0.000 1.288 1375 W CB -0.128 29.327 29.460 -0.008 0.000 1.107 1375 W HN 0.289 nan 8.180 nan 0.000 0.586 1376 Q N -0.048 119.835 119.800 0.139 0.000 2.123 1376 Q HA -0.148 4.192 4.340 -0.000 0.000 0.199 1376 Q C 2.131 178.191 176.000 0.100 0.000 0.966 1376 Q CA 1.437 57.303 55.803 0.106 0.000 0.845 1376 Q CB -0.398 28.377 28.738 0.061 0.000 0.907 1376 Q HN 0.183 nan 8.270 nan 0.000 0.439 1377 V N 0.928 120.864 119.914 0.036 0.000 2.358 1377 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 1377 V C 2.269 178.331 176.094 -0.053 0.000 1.047 1377 V CA 1.807 64.132 62.300 0.042 0.000 1.035 1377 V CB -0.945 30.929 31.823 0.084 0.000 0.658 1377 V HN 0.376 nan 8.190 nan 0.000 0.452 1378 A N -0.213 122.406 122.820 -0.335 0.000 1.902 1378 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 1378 A C 2.113 179.608 177.584 -0.149 0.000 1.181 1378 A CA 2.367 54.024 52.037 -0.632 0.000 0.623 1378 A CB -0.854 17.636 19.000 -0.851 0.000 0.818 1378 A HN 0.789 nan 8.150 nan 0.000 0.443 1379 H N -0.671 118.354 119.070 -0.074 0.000 2.321 1379 H HA -0.052 4.504 4.556 -0.000 0.000 0.300 1379 H C 2.220 177.547 175.328 -0.002 0.000 1.087 1379 H CA 1.851 57.891 56.048 -0.013 0.000 1.319 1379 H CB -0.005 29.765 29.762 0.014 0.000 1.379 1379 H HN 0.221 nan 8.280 nan 0.000 0.501 1380 R N -0.248 120.266 120.500 0.022 0.000 2.120 1380 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 1380 R C 2.136 178.413 176.300 -0.038 0.000 1.123 1380 R CA 1.094 57.186 56.100 -0.013 0.000 0.975 1380 R CB -0.247 30.105 30.300 0.088 0.000 0.866 1380 R HN 0.472 nan 8.270 nan 0.000 0.446 1381 M N 0.311 119.904 119.600 -0.011 0.000 2.236 1381 M HA -0.068 4.412 4.480 -0.000 0.000 0.266 1381 M C 2.095 178.392 176.300 -0.004 0.000 1.070 1381 M CA 1.170 56.485 55.300 0.024 0.000 1.137 1381 M CB -0.640 32.017 32.600 0.095 0.000 1.378 1381 M HN 0.041 nan 8.290 nan 0.000 0.426 1382 K N 0.431 120.802 120.400 -0.049 0.000 2.057 1382 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 1382 K C 1.829 178.389 176.600 -0.067 0.000 1.050 1382 K CA 1.198 57.461 56.287 -0.040 0.000 0.935 1382 K CB 0.082 32.554 32.500 -0.047 0.000 0.715 1382 K HN 0.082 nan 8.250 nan 0.000 0.439 1383 V N 1.619 121.444 119.914 -0.149 0.000 2.343 1383 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 1383 V C 2.263 178.323 176.094 -0.058 0.000 1.051 1383 V CA 1.935 64.154 62.300 -0.135 0.000 1.036 1383 V CB -0.404 31.283 31.823 -0.226 0.000 0.654 1383 V HN 0.443 nan 8.190 nan 0.000 0.451 1384 Q N -0.791 118.987 119.800 -0.037 0.000 2.204 1384 Q HA 0.046 4.386 4.340 -0.000 0.000 0.198 1384 Q C 2.157 178.162 176.000 0.008 0.000 0.946 1384 Q CA 0.745 56.544 55.803 -0.005 0.000 0.859 1384 Q CB 0.098 28.843 28.738 0.012 0.000 0.946 1384 Q HN 0.575 nan 8.270 nan 0.000 0.474 1385 R N -0.223 120.286 120.500 0.015 0.000 2.365 1385 R HA 0.252 4.592 4.340 -0.000 0.000 0.223 1385 R C 0.702 177.019 176.300 0.028 0.000 0.899 1385 R CA 0.409 56.526 56.100 0.028 0.000 1.059 1385 R CB 1.066 31.394 30.300 0.046 0.000 1.086 1385 R HN 0.199 nan 8.270 nan 0.000 0.522 1386 G N 1.552 110.363 108.800 0.019 0.000 2.598 1386 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.244 1386 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.244 1386 G C -0.267 174.658 174.900 0.041 0.000 1.302 1386 G CA -0.400 44.714 45.100 0.022 0.000 0.903 1386 G HN 0.421 nan 8.290 nan 0.000 0.575 1387 A N -0.590 122.255 122.820 0.043 0.000 2.386 1387 A HA 0.657 4.977 4.320 -0.000 0.000 0.248 1387 A C 0.848 178.477 177.584 0.074 0.000 1.082 1387 A CA 0.084 52.158 52.037 0.061 0.000 0.789 1387 A CB 0.209 19.237 19.000 0.046 0.000 1.025 1387 A HN 1.173 nan 8.150 nan 0.000 0.490 1388 L N 1.127 122.417 121.223 0.112 0.000 2.453 1388 L HA 0.287 4.627 4.340 -0.000 0.000 0.261 1388 L C 1.766 178.671 176.870 0.058 0.000 1.179 1388 L CA -0.057 54.858 54.840 0.125 0.000 0.813 1388 L CB 0.956 43.162 42.059 0.244 0.000 1.110 1388 L HN 0.893 nan 8.230 nan 0.000 0.466 1389 A N 1.205 124.042 122.820 0.028 0.000 2.070 1389 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 1389 A C 1.717 179.244 177.584 -0.095 0.000 1.159 1389 A CA 1.261 53.284 52.037 -0.022 0.000 0.656 1389 A CB -0.346 18.644 19.000 -0.017 0.000 0.800 1389 A HN 0.862 nan 8.150 nan 0.000 0.453 1390 E N -0.196 119.891 120.200 -0.188 0.000 2.474 1390 E HA 0.095 4.445 4.350 -0.000 0.000 0.194 1390 E C 0.393 176.780 176.600 -0.354 0.000 1.041 1390 E CA -0.020 56.107 56.400 -0.456 0.000 0.874 1390 E CB 0.113 29.112 29.700 -1.168 0.000 0.914 1390 E HN 0.561 nan 8.360 nan 0.000 0.498 1391 E N 1.319 121.457 120.200 -0.104 0.000 2.384 1391 E HA 0.075 4.425 4.350 -0.000 0.000 0.266 1391 E C -0.533 176.061 176.600 -0.010 0.000 1.012 1391 E CA 0.027 56.438 56.400 0.018 0.000 0.901 1391 E CB 0.520 30.271 29.700 0.086 0.000 0.967 1391 E HN 0.073 nan 8.360 nan 0.000 0.435 1392 T N 1.192 115.753 114.554 0.012 0.000 2.893 1392 T HA 0.779 5.129 4.350 -0.000 0.000 0.291 1392 T C 0.381 175.093 174.700 0.021 0.000 1.028 1392 T CA -0.389 61.714 62.100 0.005 0.000 0.995 1392 T CB 1.515 70.383 68.868 -0.000 0.000 1.051 1392 T HN 0.815 nan 8.240 nan 0.000 0.470 1393 G N 1.473 110.279 108.800 0.009 0.000 2.860 1393 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.553 1393 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.553 1393 G C -0.695 174.207 174.900 0.004 0.000 1.439 1393 G CA -0.259 44.845 45.100 0.007 0.000 0.879 1393 G HN 1.072 nan 8.290 nan 0.000 0.545 1394 D N 1.496 121.889 120.400 -0.012 0.000 2.639 1394 D HA 0.430 5.070 4.640 -0.000 0.000 0.233 1394 D C 0.699 176.984 176.300 -0.024 0.000 1.161 1394 D CA 0.328 54.311 54.000 -0.029 0.000 1.003 1394 D CB -0.433 40.330 40.800 -0.062 0.000 1.034 1394 D HN 0.706 nan 8.370 nan 0.000 0.514 1395 N N -0.292 118.419 118.700 0.019 0.000 3.020 1395 N HA 0.168 4.908 4.740 -0.000 0.000 0.248 1395 N C -1.000 174.561 175.510 0.085 0.000 1.480 1395 N CA -0.728 52.357 53.050 0.058 0.000 0.874 1395 N CB 1.223 39.746 38.487 0.060 0.000 1.433 1395 N HN -0.142 nan 8.380 nan 0.000 0.530 1396 D N -0.079 120.385 120.400 0.107 0.000 2.525 1396 D HA 0.112 4.752 4.640 -0.000 0.000 0.229 1396 D C 0.254 176.612 176.300 0.097 0.000 1.202 1396 D CA -0.225 53.840 54.000 0.108 0.000 0.828 1396 D CB -0.007 40.857 40.800 0.106 0.000 1.008 1396 D HN 0.368 nan 8.370 nan 0.000 0.493 1397 N N 0.747 119.500 118.700 0.089 0.000 2.060 1397 N HA -0.197 4.543 4.740 -0.000 0.000 0.195 1397 N C 1.379 176.940 175.510 0.084 0.000 1.028 1397 N CA 0.851 53.942 53.050 0.070 0.000 0.861 1397 N CB -0.402 38.128 38.487 0.071 0.000 1.029 1397 N HN 0.290 nan 8.380 nan 0.000 0.428 1398 F N 1.393 121.351 119.950 0.013 0.000 2.146 1398 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 1398 F C 2.542 178.366 175.800 0.040 0.000 1.096 1398 F CA 1.026 59.013 58.000 -0.020 0.000 1.275 1398 F CB -0.040 38.940 39.000 -0.033 0.000 1.008 1398 F HN -0.086 nan 8.300 nan 0.000 0.480 1399 R N 0.047 120.586 120.500 0.065 0.000 2.091 1399 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 1399 R C 2.010 178.417 176.300 0.178 0.000 1.136 1399 R CA 1.875 58.048 56.100 0.122 0.000 0.959 1399 R CB -0.603 29.809 30.300 0.187 0.000 0.856 1399 R HN 0.288 nan 8.270 nan 0.000 0.437 1400 V N 1.347 121.352 119.914 0.153 0.000 2.343 1400 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 1400 V C 2.179 178.419 176.094 0.243 0.000 1.051 1400 V CA 2.049 64.526 62.300 0.296 0.000 1.036 1400 V CB -0.399 31.476 31.823 0.086 0.000 0.654 1400 V HN 0.384 nan 8.190 nan 0.000 0.451 1401 K N -0.179 120.216 120.400 -0.008 0.000 2.097 1401 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 1401 K C 2.366 178.949 176.600 -0.029 0.000 1.050 1401 K CA 1.531 57.794 56.287 -0.041 0.000 0.938 1401 K CB -0.256 32.128 32.500 -0.193 0.000 0.718 1401 K HN 0.349 nan 8.250 nan 0.000 0.442 1402 R N 0.136 120.458 120.500 -0.296 0.000 2.081 1402 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 1402 R C 1.757 177.983 176.300 -0.123 0.000 1.131 1402 R CA 1.581 57.544 56.100 -0.229 0.000 0.960 1402 R CB -0.226 29.843 30.300 -0.385 0.000 0.856 1402 R HN 0.191 nan 8.270 nan 0.000 0.436 1403 Y N 0.154 120.378 120.300 -0.126 0.000 2.286 1403 Y HA -0.036 4.514 4.550 -0.000 0.000 0.293 1403 Y C 2.114 177.794 175.900 -0.367 0.000 1.124 1403 Y CA 1.110 59.058 58.100 -0.254 0.000 1.178 1403 Y CB -0.083 38.123 38.460 -0.423 0.000 1.010 1403 Y HN 0.081 nan 8.280 nan 0.000 0.536 1404 I N -0.461 120.068 120.570 -0.069 0.000 2.493 1404 I HA -0.264 3.906 4.170 -0.000 0.000 0.254 1404 I C 2.279 178.162 176.117 -0.389 0.000 1.160 1404 I CA 1.129 62.284 61.300 -0.242 0.000 1.445 1404 I CB -0.107 37.989 38.000 0.161 0.000 1.086 1404 I HN 0.192 nan 8.210 nan 0.000 0.433 1405 A N 0.538 123.270 122.820 -0.146 0.000 2.015 1405 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 1405 A C 2.187 179.681 177.584 -0.151 0.000 1.163 1405 A CA 1.399 53.366 52.037 -0.116 0.000 0.646 1405 A CB -0.424 18.546 19.000 -0.050 0.000 0.806 1405 A HN 0.419 nan 8.150 nan 0.000 0.448 1406 K N -1.317 118.988 120.400 -0.159 0.000 2.209 1406 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 1406 K C 1.048 177.669 176.600 0.036 0.000 1.048 1406 K CA 1.673 57.926 56.287 -0.055 0.000 0.940 1406 K CB -0.240 32.238 32.500 -0.036 0.000 0.729 1406 K HN 0.916 nan 8.250 nan 0.000 0.451 1407 Y N -1.638 118.658 120.300 -0.007 0.000 2.641 1407 Y HA 0.286 4.836 4.550 -0.000 0.000 0.248 1407 Y C 1.074 177.010 175.900 0.061 0.000 1.170 1407 Y CA -0.252 57.859 58.100 0.019 0.000 1.201 1407 Y CB -0.259 38.200 38.460 -0.002 0.000 1.232 1407 Y HN -0.062 nan 8.280 nan 0.000 0.537 1408 T N -2.780 111.738 114.554 -0.061 0.000 3.409 1408 T HA 0.130 4.480 4.350 -0.000 0.000 0.188 1408 T C 1.311 176.029 174.700 0.030 0.000 0.929 1408 T CA 0.641 62.753 62.100 0.021 0.000 1.184 1408 T CB -0.763 68.092 68.868 -0.021 0.000 1.570 1408 T HN 0.087 nan 8.240 nan 0.000 0.367 1409 I N 3.077 123.645 120.570 -0.005 0.000 2.252 1409 I HA -0.020 4.150 4.170 -0.000 0.000 0.245 1409 I C 1.916 177.993 176.117 -0.066 0.000 1.102 1409 I CA 1.374 62.652 61.300 -0.037 0.000 1.385 1409 I CB -0.802 37.108 38.000 -0.151 0.000 1.064 1409 I HN 0.250 nan 8.210 nan 0.000 0.414 1410 N N 0.743 119.393 118.700 -0.083 0.000 2.120 1410 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 1410 N C -0.771 174.709 175.510 -0.051 0.000 1.024 1410 N CA 1.739 54.740 53.050 -0.081 0.000 0.852 1410 N CB -1.852 36.585 38.487 -0.083 0.000 1.003 1410 N HN 0.320 nan 8.380 nan 0.000 0.424 1411 P HA 0.001 nan 4.420 nan 0.000 0.218 1411 P C 0.998 178.331 177.300 0.055 0.000 1.149 1411 P CA 1.315 64.441 63.100 0.044 0.000 0.817 1411 P CB -0.003 31.748 31.700 0.085 0.000 0.785 1412 A N -0.745 122.089 122.820 0.024 0.000 1.930 1412 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 1412 A C 2.159 179.744 177.584 0.002 0.000 1.175 1412 A CA 1.310 53.351 52.037 0.008 0.000 0.627 1412 A CB -1.584 17.424 19.000 0.014 0.000 0.815 1412 A HN 0.108 nan 8.150 nan 0.000 0.443 1413 L N -0.810 120.401 121.223 -0.020 0.000 2.056 1413 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 1413 L C 2.725 179.556 176.870 -0.065 0.000 1.078 1413 L CA 1.676 56.493 54.840 -0.037 0.000 0.749 1413 L CB -0.759 41.261 42.059 -0.064 0.000 0.901 1413 L HN 0.327 nan 8.230 nan 0.000 0.433 1414 T N -2.142 112.356 114.554 -0.093 0.000 2.833 1414 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 1414 T C 1.367 175.900 174.700 -0.279 0.000 1.054 1414 T CA 1.121 63.103 62.100 -0.196 0.000 1.135 1414 T CB -0.219 68.482 68.868 -0.279 0.000 0.869 1414 T HN 0.362 nan 8.240 nan 0.000 0.466 1415 H N -0.389 118.642 119.070 -0.066 0.000 2.505 1415 H HA 0.355 4.911 4.556 -0.000 0.000 0.286 1415 H C 1.585 176.872 175.328 -0.068 0.000 1.072 1415 H CA 0.256 56.271 56.048 -0.055 0.000 1.141 1415 H CB 0.219 29.951 29.762 -0.051 0.000 1.550 1415 H HN 0.474 nan 8.280 nan 0.000 0.547 1416 G N 2.427 111.233 108.800 0.011 0.000 2.249 1416 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.273 1416 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.273 1416 G C 0.829 175.800 174.900 0.119 0.000 1.036 1416 G CA 0.749 45.877 45.100 0.046 0.000 0.824 1416 G HN 0.639 nan 8.290 nan 0.000 0.504 1417 I N -4.167 116.415 120.570 0.020 0.000 4.102 1417 I HA 0.678 4.848 4.170 -0.000 0.000 0.325 1417 I C 1.726 177.802 176.117 -0.069 0.000 1.471 1417 I CA 0.327 61.555 61.300 -0.119 0.000 1.133 1417 I CB 0.351 37.990 38.000 -0.602 0.000 1.184 1417 I HN 0.114 nan 8.210 nan 0.000 0.451 1418 A N 1.943 124.806 122.820 0.072 0.000 2.172 1418 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 1418 A C 2.135 179.784 177.584 0.108 0.000 1.154 1418 A CA 1.488 53.567 52.037 0.071 0.000 0.701 1418 A CB -1.068 17.970 19.000 0.063 0.000 0.789 1418 A HN 0.778 nan 8.150 nan 0.000 0.465 1419 H N -1.836 117.271 119.070 0.061 0.000 2.548 1419 H HA 0.150 4.706 4.556 -0.000 0.000 0.268 1419 H C 0.878 176.266 175.328 0.100 0.000 0.975 1419 H CA 1.086 57.177 56.048 0.070 0.000 1.195 1419 H CB 0.073 29.872 29.762 0.061 0.000 1.397 1419 H HN 0.475 nan 8.280 nan 0.000 0.572 1420 E N 1.108 121.139 120.200 -0.281 0.000 2.256 1420 E HA 0.144 4.494 4.350 -0.000 0.000 0.198 1420 E C 1.250 177.869 176.600 0.030 0.000 0.908 1420 E CA 0.845 57.174 56.400 -0.118 0.000 0.915 1420 E CB 1.149 30.796 29.700 -0.088 0.000 0.890 1420 E HN 0.380 nan 8.360 nan 0.000 0.484 1421 V N -4.680 115.266 119.914 0.054 0.000 3.084 1421 V HA 0.856 4.976 4.120 -0.000 0.000 0.311 1421 V C 0.866 177.019 176.094 0.098 0.000 1.311 1421 V CA -0.179 62.183 62.300 0.104 0.000 1.062 1421 V CB 1.163 33.077 31.823 0.152 0.000 1.113 1421 V HN 0.303 nan 8.190 nan 0.000 0.468 1422 G N -0.111 108.762 108.800 0.123 0.000 2.259 1422 G HA2 0.076 4.036 3.960 -0.000 0.000 0.217 1422 G HA3 0.076 4.036 3.960 -0.000 0.000 0.217 1422 G C 0.283 175.286 174.900 0.170 0.000 1.001 1422 G CA 0.634 45.807 45.100 0.122 0.000 0.627 1422 G HN 2.456 nan 8.290 nan 0.000 0.501 1423 S N -1.158 114.666 115.700 0.205 0.000 2.611 1423 S HA 0.661 5.131 4.470 -0.000 0.000 0.268 1423 S C -0.691 174.072 174.600 0.272 0.000 1.156 1423 S CA -0.658 57.712 58.200 0.283 0.000 0.817 1423 S CB 1.157 64.609 63.200 0.421 0.000 1.122 1423 S HN 0.755 nan 8.310 nan 0.000 0.466 1424 I N 1.587 122.364 120.570 0.345 0.000 2.224 1424 I HA 0.363 4.533 4.170 -0.000 0.000 0.293 1424 I C -0.045 176.271 176.117 0.331 0.000 1.155 1424 I CA 0.196 61.695 61.300 0.331 0.000 1.297 1424 I CB -0.356 37.860 38.000 0.360 0.000 1.487 1424 I HN 0.565 nan 8.210 nan 0.000 0.564 1425 E N 3.284 123.592 120.200 0.180 0.000 2.343 1425 E HA 0.404 4.754 4.350 -0.000 0.000 0.270 1425 E C -0.823 175.793 176.600 0.026 0.000 0.895 1425 E CA -1.002 55.423 56.400 0.043 0.000 0.767 1425 E CB 3.199 32.917 29.700 0.031 0.000 1.248 1425 E HN 0.045 nan 8.360 nan 0.000 0.440 1426 V N 1.889 121.779 119.914 -0.040 0.000 2.694 1426 V HA 0.112 4.232 4.120 -0.000 0.000 0.306 1426 V C 1.402 177.491 176.094 -0.010 0.000 1.054 1426 V CA 2.089 64.363 62.300 -0.044 0.000 1.161 1426 V CB 0.369 32.122 31.823 -0.117 0.000 0.916 1426 V HN 1.109 nan 8.190 nan 0.000 0.490 1427 G N 3.869 112.678 108.800 0.015 0.000 2.268 1427 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.240 1427 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.240 1427 G C 0.324 175.259 174.900 0.058 0.000 1.010 1427 G CA 0.188 45.309 45.100 0.036 0.000 0.618 1427 G HN 0.607 nan 8.290 nan 0.000 0.516 1428 K N 0.226 120.666 120.400 0.067 0.000 2.168 1428 K HA 0.551 4.871 4.320 -0.000 0.000 0.258 1428 K C 0.335 176.984 176.600 0.081 0.000 1.010 1428 K CA -0.860 55.473 56.287 0.077 0.000 0.929 1428 K CB 1.370 33.927 32.500 0.095 0.000 0.998 1428 K HN 0.166 nan 8.250 nan 0.000 0.479 1429 L N 1.830 123.097 121.223 0.074 0.000 2.525 1429 L HA -0.038 4.301 4.340 -0.000 0.000 0.278 1429 L C -0.065 176.859 176.870 0.089 0.000 1.218 1429 L CA 0.768 55.651 54.840 0.071 0.000 0.878 1429 L CB 0.395 42.490 42.059 0.060 0.000 1.127 1429 L HN 0.749 nan 8.230 nan 0.000 0.492 1430 A N 3.982 126.854 122.820 0.087 0.000 3.037 1430 A HA 0.211 4.531 4.320 -0.000 0.000 0.272 1430 A C -0.458 177.179 177.584 0.089 0.000 1.723 1430 A CA -0.411 51.683 52.037 0.094 0.000 1.413 1430 A CB -1.078 17.976 19.000 0.090 0.000 1.112 1430 A HN 0.679 nan 8.150 nan 0.000 0.606 1431 D N 1.681 122.141 120.400 0.100 0.000 2.443 1431 D HA 0.542 5.182 4.640 -0.000 0.000 0.221 1431 D C -0.374 175.991 176.300 0.107 0.000 1.097 1431 D CA 0.394 54.453 54.000 0.097 0.000 0.865 1431 D CB 0.982 41.849 40.800 0.110 0.000 1.034 1431 D HN 0.408 nan 8.370 nan 0.000 0.511 1432 L N 0.958 122.232 121.223 0.084 0.000 2.354 1432 L HA 0.658 4.998 4.340 -0.000 0.000 0.264 1432 L C -0.515 176.370 176.870 0.025 0.000 1.008 1432 L CA -1.236 53.657 54.840 0.087 0.000 0.819 1432 L CB 2.390 44.504 42.059 0.092 0.000 1.339 1432 L HN -0.103 nan 8.230 nan 0.000 0.420 1433 V N 2.116 122.036 119.914 0.011 0.000 2.487 1433 V HA 0.433 4.553 4.120 -0.000 0.000 0.298 1433 V C -0.251 175.687 176.094 -0.259 0.000 1.028 1433 V CA -0.699 61.473 62.300 -0.214 0.000 0.860 1433 V CB 2.117 33.746 31.823 -0.322 0.000 0.991 1433 V HN 0.423 nan 8.190 nan 0.000 0.427 1434 V N 4.006 123.735 119.914 -0.308 0.000 2.394 1434 V HA 0.507 4.627 4.120 -0.000 0.000 0.282 1434 V C -0.834 175.139 176.094 -0.201 0.000 1.031 1434 V CA -0.493 61.732 62.300 -0.126 0.000 0.881 1434 V CB 1.222 33.022 31.823 -0.038 0.000 0.982 1434 V HN 0.912 nan 8.190 nan 0.000 0.451 1435 W N 1.923 123.299 121.300 0.127 0.000 2.819 1435 W HA 0.631 5.291 4.660 -0.000 0.000 0.337 1435 W C 0.251 176.863 176.519 0.154 0.000 1.077 1435 W CA -0.641 56.793 57.345 0.147 0.000 1.226 1435 W CB 1.792 31.387 29.460 0.226 0.000 1.419 1435 W HN 0.465 nan 8.180 nan 0.000 0.502 1436 S N 2.397 118.351 115.700 0.423 0.000 2.537 1436 S HA 0.289 4.759 4.470 -0.000 0.000 0.275 1436 S C -1.497 173.301 174.600 0.331 0.000 1.272 1436 S CA -1.265 57.126 58.200 0.318 0.000 1.050 1436 S CB 1.073 64.467 63.200 0.324 0.000 0.961 1436 S HN 0.223 nan 8.310 nan 0.000 0.496 1437 P HA -0.103 nan 4.420 nan 0.000 0.216 1437 P C 1.117 178.438 177.300 0.035 0.000 1.150 1437 P CA 1.539 64.681 63.100 0.069 0.000 0.843 1437 P CB 0.045 31.736 31.700 -0.014 0.000 0.787 1438 A N -2.293 120.567 122.820 0.067 0.000 2.067 1438 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 1438 A C 1.326 178.770 177.584 -0.234 0.000 1.158 1438 A CA 1.151 53.133 52.037 -0.092 0.000 0.661 1438 A CB -1.253 17.675 19.000 -0.120 0.000 0.801 1438 A HN 0.186 nan 8.150 nan 0.000 0.452 1439 F N -2.314 117.702 119.950 0.111 0.000 2.683 1439 F HA 0.322 4.849 4.527 -0.000 0.000 0.306 1439 F C 0.287 176.072 175.800 -0.026 0.000 1.102 1439 F CA -1.128 56.887 58.000 0.026 0.000 1.244 1439 F CB 0.114 39.187 39.000 0.122 0.000 1.029 1439 F HN 0.160 nan 8.300 nan 0.000 0.545 1440 F N 1.495 121.388 119.950 -0.095 0.000 2.623 1440 F HA 0.326 4.853 4.527 -0.000 0.000 0.383 1440 F C 1.387 176.756 175.800 -0.718 0.000 1.077 1440 F CA 1.044 58.764 58.000 -0.467 0.000 1.268 1440 F CB 0.481 39.145 39.000 -0.560 0.000 1.053 1440 F HN 0.318 nan 8.300 nan 0.000 0.571 1441 G N 3.392 110.824 108.800 -2.280 0.000 2.189 1441 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.267 1441 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.267 1441 G C 0.553 175.188 174.900 -0.441 0.000 0.975 1441 G CA 0.563 44.812 45.100 -1.419 0.000 0.644 1441 G HN 0.773 nan 8.290 nan 0.000 0.537 1442 V N -0.822 118.959 119.914 -0.222 0.000 2.840 1442 V HA 0.372 4.492 4.120 -0.000 0.000 0.234 1442 V C 0.999 177.202 176.094 0.181 0.000 1.159 1442 V CA 1.797 64.065 62.300 -0.054 0.000 1.194 1442 V CB 0.406 31.944 31.823 -0.474 0.000 0.971 1442 V HN 0.273 nan 8.190 nan 0.000 0.494 1443 K N 1.919 122.503 120.400 0.306 0.000 2.668 1443 K HA 0.384 4.704 4.320 -0.000 0.000 0.246 1443 K C -2.889 173.913 176.600 0.338 0.000 0.976 1443 K CA -1.563 54.901 56.287 0.296 0.000 0.902 1443 K CB 2.588 35.227 32.500 0.231 0.000 1.172 1443 K HN 0.186 nan 8.250 nan 0.000 0.452 1444 P HA 0.054 nan 4.420 nan 0.000 0.274 1444 P C -0.098 177.176 177.300 -0.043 0.000 1.237 1444 P CA -0.151 62.792 63.100 -0.262 0.000 0.793 1444 P CB 1.468 32.638 31.700 -0.883 0.000 0.977 1445 A N 2.032 124.785 122.820 -0.112 0.000 1.943 1445 A HA 0.161 4.481 4.320 -0.000 0.000 0.213 1445 A C 0.675 178.201 177.584 -0.097 0.000 1.181 1445 A CA 1.287 53.273 52.037 -0.086 0.000 0.653 1445 A CB -0.450 18.527 19.000 -0.038 0.000 0.833 1445 A HN 0.616 nan 8.150 nan 0.000 0.451 1446 T N -0.834 113.642 114.554 -0.130 0.000 3.041 1446 T HA 0.501 4.851 4.350 -0.000 0.000 0.321 1446 T C -1.373 173.246 174.700 -0.135 0.000 1.184 1446 T CA -0.392 61.651 62.100 -0.096 0.000 1.050 1446 T CB 1.963 70.792 68.868 -0.065 0.000 1.159 1446 T HN 0.018 nan 8.240 nan 0.000 0.469 1447 V N 3.843 123.710 119.914 -0.080 0.000 2.376 1447 V HA 0.505 4.625 4.120 -0.000 0.000 0.287 1447 V C -0.390 175.689 176.094 -0.024 0.000 1.015 1447 V CA -0.726 61.527 62.300 -0.078 0.000 0.834 1447 V CB 1.125 32.907 31.823 -0.069 0.000 1.001 1447 V HN 0.780 nan 8.190 nan 0.000 0.428 1448 I N 5.304 125.868 120.570 -0.010 0.000 2.336 1448 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 1448 I C 0.080 176.219 176.117 0.037 0.000 0.991 1448 I CA -0.495 60.817 61.300 0.019 0.000 1.227 1448 I CB 1.263 39.279 38.000 0.027 0.000 1.366 1448 I HN 0.307 nan 8.210 nan 0.000 0.466 1449 K N 4.541 124.967 120.400 0.044 0.000 2.394 1449 K HA 0.343 4.663 4.320 -0.000 0.000 0.260 1449 K C 0.425 177.061 176.600 0.060 0.000 0.967 1449 K CA -0.381 55.938 56.287 0.053 0.000 0.855 1449 K CB 1.574 34.103 32.500 0.049 0.000 1.101 1449 K HN 0.872 nan 8.250 nan 0.000 0.433 1450 G N 1.977 110.815 108.800 0.063 0.000 2.305 1450 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.287 1450 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.287 1450 G C 0.789 175.738 174.900 0.080 0.000 1.036 1450 G CA 1.210 46.351 45.100 0.068 0.000 0.887 1450 G HN 1.072 nan 8.290 nan 0.000 0.505 1451 G N -2.033 106.808 108.800 0.069 0.000 2.175 1451 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 1451 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 1451 G C 0.284 175.211 174.900 0.045 0.000 0.982 1451 G CA 0.858 45.994 45.100 0.059 0.000 0.641 1451 G HN 1.083 nan 8.290 nan 0.000 0.527 1452 M N 0.530 120.161 119.600 0.052 0.000 2.393 1452 M HA 0.516 4.995 4.480 -0.000 0.000 0.316 1452 M C 0.251 176.580 176.300 0.048 0.000 1.087 1452 M CA -0.848 54.481 55.300 0.048 0.000 0.937 1452 M CB 2.128 34.764 32.600 0.059 0.000 1.668 1452 M HN 0.053 nan 8.290 nan 0.000 0.438 1453 I N 2.144 122.743 120.570 0.048 0.000 2.587 1453 I HA -0.001 4.169 4.170 -0.000 0.000 0.284 1453 I C 0.981 177.122 176.117 0.040 0.000 1.134 1453 I CA 0.139 61.461 61.300 0.036 0.000 1.410 1453 I CB 0.923 38.943 38.000 0.034 0.000 1.392 1453 I HN 0.881 nan 8.210 nan 0.000 0.545 1454 A N 7.356 130.190 122.820 0.024 0.000 2.014 1454 A HA 0.385 4.705 4.320 -0.000 0.000 0.210 1454 A C 0.675 178.261 177.584 0.003 0.000 1.188 1454 A CA 0.596 52.643 52.037 0.017 0.000 0.731 1454 A CB 0.414 19.427 19.000 0.023 0.000 0.858 1454 A HN 0.665 nan 8.150 nan 0.000 0.464 1455 I N -2.345 118.231 120.570 0.011 0.000 2.842 1455 I HA 0.591 4.761 4.170 -0.000 0.000 0.297 1455 I C -1.527 174.623 176.117 0.055 0.000 1.380 1455 I CA -0.427 60.894 61.300 0.034 0.000 1.018 1455 I CB 2.151 40.190 38.000 0.064 0.000 1.311 1455 I HN 0.266 nan 8.210 nan 0.000 0.439 1456 A N 6.207 129.059 122.820 0.053 0.000 2.597 1456 A HA 0.772 5.092 4.320 -0.000 0.000 0.292 1456 A C -3.108 174.318 177.584 -0.265 0.000 1.057 1456 A CA -1.018 50.999 52.037 -0.033 0.000 0.674 1456 A CB 1.679 20.632 19.000 -0.079 0.000 1.278 1456 A HN 0.303 nan 8.150 nan 0.000 0.416 1457 P HA 0.444 nan 4.420 nan 0.000 0.271 1457 P C -0.870 176.189 177.300 -0.401 0.000 1.216 1457 P CA 0.158 62.800 63.100 -0.763 0.000 0.771 1457 P CB 0.921 32.120 31.700 -0.835 0.000 0.864 1458 M N 3.122 122.500 119.600 -0.370 0.000 2.326 1458 M HA 0.585 5.065 4.480 -0.000 0.000 0.292 1458 M C -0.224 175.907 176.300 -0.280 0.000 1.081 1458 M CA -0.456 54.677 55.300 -0.279 0.000 0.919 1458 M CB 1.823 34.274 32.600 -0.248 0.000 1.634 1458 M HN 0.439 nan 8.290 nan 0.000 0.451 1459 G N 1.282 109.970 108.800 -0.187 0.000 2.535 1459 G HA2 0.241 4.201 3.960 -0.000 0.000 0.282 1459 G HA3 0.241 4.201 3.960 -0.000 0.000 0.282 1459 G C -0.875 173.957 174.900 -0.114 0.000 1.350 1459 G CA -0.577 44.441 45.100 -0.137 0.000 1.039 1459 G HN 0.753 nan 8.290 nan 0.000 0.509 1460 D N -0.178 120.183 120.400 -0.065 0.000 2.662 1460 D HA -0.106 4.534 4.640 -0.000 0.000 0.237 1460 D C 1.763 178.036 176.300 -0.046 0.000 1.154 1460 D CA -0.257 53.719 54.000 -0.039 0.000 0.861 1460 D CB 0.278 41.066 40.800 -0.020 0.000 1.146 1460 D HN 0.045 nan 8.370 nan 0.000 0.518 1461 I N 3.690 124.233 120.570 -0.044 0.000 2.361 1461 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 1461 I C 1.859 177.962 176.117 -0.023 0.000 1.133 1461 I CA 1.027 62.303 61.300 -0.040 0.000 1.413 1461 I CB -1.134 36.844 38.000 -0.037 0.000 1.073 1461 I HN 0.455 nan 8.210 nan 0.000 0.424 1462 N N 0.890 119.581 118.700 -0.015 0.000 2.336 1462 N HA 0.127 4.867 4.740 -0.000 0.000 0.189 1462 N C 0.663 176.168 175.510 -0.009 0.000 1.113 1462 N CA 0.157 53.202 53.050 -0.008 0.000 0.858 1462 N CB 0.233 38.717 38.487 -0.004 0.000 0.970 1462 N HN 0.279 nan 8.380 nan 0.000 0.471 1463 A N -0.475 122.337 122.820 -0.014 0.000 2.386 1463 A HA 0.234 4.554 4.320 -0.000 0.000 0.246 1463 A C 1.430 179.008 177.584 -0.011 0.000 1.089 1463 A CA 0.251 52.280 52.037 -0.013 0.000 0.790 1463 A CB 0.023 19.012 19.000 -0.019 0.000 1.042 1463 A HN 0.468 nan 8.150 nan 0.000 0.497 1464 S N -0.269 115.426 115.700 -0.009 0.000 2.481 1464 S HA 0.131 4.601 4.470 -0.000 0.000 0.231 1464 S C 0.595 175.190 174.600 -0.008 0.000 0.996 1464 S CA 1.019 59.215 58.200 -0.007 0.000 0.942 1464 S CB -0.930 62.266 63.200 -0.006 0.000 0.768 1464 S HN 0.810 nan 8.310 nan 0.000 0.520 1465 I N -3.011 117.551 120.570 -0.013 0.000 3.191 1465 I HA 0.461 4.631 4.170 -0.000 0.000 0.313 1465 I C -2.533 173.570 176.117 -0.024 0.000 1.193 1465 I CA -2.775 58.516 61.300 -0.014 0.000 0.968 1465 I CB 1.762 39.754 38.000 -0.014 0.000 1.262 1465 I HN -0.351 nan 8.210 nan 0.000 0.456 1466 P HA -0.006 nan 4.420 nan 0.000 0.249 1466 P C 0.983 178.244 177.300 -0.064 0.000 1.229 1466 P CA 0.840 63.911 63.100 -0.048 0.000 0.788 1466 P CB 0.106 31.778 31.700 -0.046 0.000 1.072 1467 T N -4.339 110.184 114.554 -0.051 0.000 3.051 1467 T HA 0.204 4.554 4.350 -0.000 0.000 0.255 1467 T C -1.552 173.118 174.700 -0.050 0.000 1.085 1467 T CA -0.427 61.639 62.100 -0.057 0.000 1.109 1467 T CB -1.891 66.950 68.868 -0.045 0.000 0.921 1467 T HN 0.131 nan 8.240 nan 0.000 0.488 1468 P HA 0.193 nan 4.420 nan 0.000 0.269 1468 P C 0.107 177.389 177.300 -0.030 0.000 1.215 1468 P CA -0.199 62.883 63.100 -0.029 0.000 0.780 1468 P CB 0.382 32.069 31.700 -0.021 0.000 0.898 1469 Q N 2.641 122.431 119.800 -0.017 0.000 2.454 1469 Q HA 0.198 4.538 4.340 -0.000 0.000 0.247 1469 Q C -1.894 174.113 176.000 0.011 0.000 1.028 1469 Q CA -1.207 54.594 55.803 -0.003 0.000 0.910 1469 Q CB -0.559 28.182 28.738 0.004 0.000 1.276 1469 Q HN 0.399 nan 8.270 nan 0.000 0.489 1470 P HA 0.203 nan 4.420 nan 0.000 0.285 1470 P C -0.834 176.506 177.300 0.067 0.000 1.259 1470 P CA -0.330 62.819 63.100 0.082 0.000 0.794 1470 P CB 0.903 32.692 31.700 0.147 0.000 0.940 1471 V N 5.328 125.257 119.914 0.025 0.000 2.350 1471 V HA 0.361 4.481 4.120 -0.000 0.000 0.276 1471 V C 0.162 176.248 176.094 -0.013 0.000 1.028 1471 V CA -0.142 62.110 62.300 -0.081 0.000 0.860 1471 V CB 0.160 31.907 31.823 -0.127 0.000 0.990 1471 V HN 0.866 nan 8.190 nan 0.000 0.453 1472 H N 2.025 121.019 119.070 -0.128 0.000 3.016 1472 H HA 0.629 5.185 4.556 -0.000 0.000 0.362 1472 H C -1.526 173.719 175.328 -0.138 0.000 1.233 1472 H CA -1.131 54.867 56.048 -0.084 0.000 1.124 1472 H CB 0.736 30.515 29.762 0.028 0.000 1.850 1472 H HN 0.371 nan 8.280 nan 0.000 0.549 1473 Y N 1.331 121.679 120.300 0.079 0.000 2.632 1473 Y HA 0.243 4.793 4.550 -0.000 0.000 0.329 1473 Y C 0.582 176.486 175.900 0.008 0.000 1.174 1473 Y CA 0.339 58.442 58.100 0.005 0.000 1.469 1473 Y CB 0.485 38.958 38.460 0.022 0.000 1.242 1473 Y HN 0.386 nan 8.280 nan 0.000 0.540 1474 R N 4.782 125.296 120.500 0.023 0.000 2.686 1474 R HA 0.386 4.726 4.340 -0.000 0.000 0.283 1474 R C -2.911 173.371 176.300 -0.031 0.000 0.978 1474 R CA -2.304 53.785 56.100 -0.018 0.000 0.897 1474 R CB 1.806 32.026 30.300 -0.133 0.000 1.192 1474 R HN 0.356 nan 8.270 nan 0.000 0.457 1475 P HA 0.034 nan 4.420 nan 0.000 0.268 1475 P C -0.543 176.670 177.300 -0.144 0.000 1.204 1475 P CA 0.080 63.145 63.100 -0.058 0.000 0.768 1475 P CB 0.772 32.444 31.700 -0.046 0.000 0.842 1476 M N 1.850 121.365 119.600 -0.142 0.000 2.799 1476 M HA 0.291 4.771 4.480 -0.000 0.000 0.274 1476 M C 1.701 177.852 176.300 -0.248 0.000 1.137 1476 M CA -0.841 54.310 55.300 -0.249 0.000 0.897 1476 M CB -0.624 31.910 32.600 -0.110 0.000 1.567 1476 M HN 0.199 nan 8.290 nan 0.000 0.536 1477 F N 0.594 120.527 119.950 -0.028 0.000 2.250 1477 F HA -0.083 4.443 4.527 -0.000 0.000 0.301 1477 F C 2.239 178.019 175.800 -0.033 0.000 1.077 1477 F CA 1.382 59.363 58.000 -0.033 0.000 1.348 1477 F CB -0.891 38.087 39.000 -0.036 0.000 1.040 1477 F HN 0.745 nan 8.300 nan 0.000 0.509 1478 G N -0.659 108.215 108.800 0.124 0.000 2.625 1478 G HA2 0.037 3.997 3.960 -0.000 0.000 0.214 1478 G HA3 0.037 3.997 3.960 -0.000 0.000 0.214 1478 G C 1.442 176.359 174.900 0.029 0.000 1.132 1478 G CA 0.603 45.746 45.100 0.072 0.000 0.782 1478 G HN 0.426 nan 8.290 nan 0.000 0.538 1479 A N -0.250 122.572 122.820 0.003 0.000 2.430 1479 A HA 0.601 4.921 4.320 -0.000 0.000 0.243 1479 A C 0.516 178.072 177.584 -0.046 0.000 1.254 1479 A CA -0.344 51.680 52.037 -0.021 0.000 0.914 1479 A CB 0.174 19.160 19.000 -0.024 0.000 0.998 1479 A HN 0.233 nan 8.150 nan 0.000 0.515 1480 L N -0.019 121.182 121.223 -0.036 0.000 2.282 1480 L HA 0.488 4.828 4.340 -0.000 0.000 0.288 1480 L C 1.619 178.430 176.870 -0.097 0.000 1.033 1480 L CA -0.154 54.658 54.840 -0.047 0.000 0.807 1480 L CB 1.079 43.143 42.059 0.007 0.000 1.209 1480 L HN 0.520 nan 8.230 nan 0.000 0.423 1481 G N 2.568 111.281 108.800 -0.146 0.000 2.674 1481 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.375 1481 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.375 1481 G C 1.145 175.779 174.900 -0.443 0.000 1.175 1481 G CA 1.034 45.990 45.100 -0.241 0.000 0.925 1481 G HN 0.618 nan 8.290 nan 0.000 0.606 1482 S N 0.781 116.362 115.700 -0.199 0.000 2.423 1482 S HA 0.107 4.577 4.470 -0.000 0.000 0.231 1482 S C 2.737 177.318 174.600 -0.032 0.000 1.014 1482 S CA 1.784 59.939 58.200 -0.076 0.000 0.965 1482 S CB -0.480 62.744 63.200 0.041 0.000 0.785 1482 S HN 1.189 nan 8.310 nan 0.000 0.495 1483 A N 1.902 124.696 122.820 -0.044 0.000 1.902 1483 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 1483 A C 2.059 179.657 177.584 0.023 0.000 1.181 1483 A CA 1.499 53.538 52.037 0.003 0.000 0.623 1483 A CB -0.525 18.486 19.000 0.018 0.000 0.818 1483 A HN 0.453 nan 8.150 nan 0.000 0.443 1484 R N -0.884 119.577 120.500 -0.066 0.000 2.073 1484 R HA -0.199 4.141 4.340 -0.000 0.000 0.234 1484 R C 1.994 178.302 176.300 0.013 0.000 1.134 1484 R CA 1.998 58.062 56.100 -0.060 0.000 0.952 1484 R CB -0.531 29.682 30.300 -0.145 0.000 0.850 1484 R HN 0.779 nan 8.270 nan 0.000 0.433 1485 H N -2.202 116.892 119.070 0.040 0.000 2.387 1485 H HA -0.173 4.383 4.556 -0.000 0.000 0.299 1485 H C 1.957 177.302 175.328 0.029 0.000 1.099 1485 H CA 1.574 57.633 56.048 0.019 0.000 1.315 1485 H CB -0.095 29.677 29.762 0.017 0.000 1.380 1485 H HN 0.449 nan 8.280 nan 0.000 0.513 1486 H N -0.695 118.431 119.070 0.095 0.000 2.502 1486 H HA 0.003 4.559 4.556 -0.000 0.000 0.283 1486 H C 1.213 176.556 175.328 0.025 0.000 1.015 1486 H CA 1.066 57.142 56.048 0.046 0.000 1.298 1486 H CB 0.199 29.979 29.762 0.030 0.000 1.411 1486 H HN 0.302 nan 8.280 nan 0.000 0.556 1487 C N 1.683 121.065 119.300 0.137 0.000 2.855 1487 C HA 0.278 4.738 4.460 -0.000 0.000 0.279 1487 C C 0.597 175.605 174.990 0.031 0.000 1.270 1487 C CA -0.340 58.730 59.018 0.088 0.000 1.702 1487 C CB -1.372 26.429 27.740 0.103 0.000 1.949 1487 C HN 0.519 nan 8.230 nan 0.000 0.618 1488 R N 0.052 120.556 120.500 0.007 0.000 2.854 1488 R HA 0.832 5.172 4.340 -0.000 0.000 0.271 1488 R C -1.593 174.648 176.300 -0.098 0.000 0.994 1488 R CA -0.680 55.408 56.100 -0.020 0.000 0.945 1488 R CB 0.997 31.305 30.300 0.014 0.000 1.194 1488 R HN 0.092 nan 8.270 nan 0.000 0.476 1489 L N 0.867 121.983 121.223 -0.178 0.000 2.362 1489 L HA 0.481 4.821 4.340 -0.000 0.000 0.271 1489 L C -0.623 175.993 176.870 -0.423 0.000 1.002 1489 L CA -0.926 53.695 54.840 -0.366 0.000 0.818 1489 L CB 2.694 44.377 42.059 -0.628 0.000 1.298 1489 L HN 0.734 nan 8.230 nan 0.000 0.420 1490 T N 2.341 116.676 114.554 -0.365 0.000 2.772 1490 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 1490 T C -0.467 174.076 174.700 -0.263 0.000 0.994 1490 T CA -0.261 61.701 62.100 -0.229 0.000 0.951 1490 T CB 0.282 69.078 68.868 -0.120 0.000 0.933 1490 T HN 0.093 nan 8.240 nan 0.000 0.447 1491 F N 3.371 123.337 119.950 0.027 0.000 2.412 1491 F HA 0.527 5.054 4.527 -0.000 0.000 0.348 1491 F C 0.467 176.291 175.800 0.040 0.000 1.102 1491 F CA -0.744 57.282 58.000 0.042 0.000 1.196 1491 F CB 0.626 39.663 39.000 0.061 0.000 1.144 1491 F HN 0.187 nan 8.300 nan 0.000 0.541 1492 L N 1.697 123.050 121.223 0.217 0.000 2.309 1492 L HA 0.516 4.856 4.340 -0.000 0.000 0.261 1492 L C -0.137 176.812 176.870 0.131 0.000 1.021 1492 L CA -1.114 53.804 54.840 0.131 0.000 0.823 1492 L CB 2.351 44.451 42.059 0.069 0.000 1.366 1492 L HN 0.642 nan 8.230 nan 0.000 0.423 1493 S N -0.514 115.239 115.700 0.089 0.000 2.603 1493 S HA 0.166 4.636 4.470 -0.000 0.000 0.268 1493 S C 0.541 175.175 174.600 0.057 0.000 1.317 1493 S CA -0.555 57.688 58.200 0.071 0.000 1.012 1493 S CB 1.383 64.613 63.200 0.050 0.000 0.926 1493 S HN 0.691 nan 8.310 nan 0.000 0.539 1494 Q N 1.082 120.909 119.800 0.045 0.000 2.135 1494 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 1494 Q C 2.460 178.473 176.000 0.022 0.000 0.981 1494 Q CA 1.676 57.498 55.803 0.032 0.000 0.856 1494 Q CB -0.619 28.130 28.738 0.018 0.000 0.902 1494 Q HN 0.925 nan 8.270 nan 0.000 0.425 1495 A N 1.113 123.944 122.820 0.019 0.000 1.877 1495 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 1495 A C 2.329 179.921 177.584 0.013 0.000 1.186 1495 A CA 1.589 53.634 52.037 0.013 0.000 0.620 1495 A CB -0.933 18.073 19.000 0.010 0.000 0.822 1495 A HN 0.403 nan 8.150 nan 0.000 0.443 1496 A N -0.105 122.726 122.820 0.018 0.000 1.908 1496 A HA 0.115 4.435 4.320 -0.000 0.000 0.218 1496 A C 2.521 180.111 177.584 0.010 0.000 1.181 1496 A CA 2.297 54.342 52.037 0.013 0.000 0.627 1496 A CB -1.093 17.918 19.000 0.019 0.000 0.818 1496 A HN 1.112 nan 8.150 nan 0.000 0.445 1497 A N -0.210 122.620 122.820 0.018 0.000 1.908 1497 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 1497 A C 2.506 180.095 177.584 0.007 0.000 1.181 1497 A CA 2.251 54.296 52.037 0.014 0.000 0.627 1497 A CB -1.004 18.012 19.000 0.026 0.000 0.818 1497 A HN 1.088 nan 8.150 nan 0.000 0.445 1498 A N 0.249 123.074 122.820 0.008 0.000 1.898 1498 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 1498 A C 1.698 179.283 177.584 0.001 0.000 1.181 1498 A CA 1.488 53.528 52.037 0.004 0.000 0.620 1498 A CB -0.550 18.453 19.000 0.004 0.000 0.819 1498 A HN 0.554 nan 8.150 nan 0.000 0.442 1499 N N -0.209 118.491 118.700 0.001 0.000 2.571 1499 N HA 0.050 4.790 4.740 -0.000 0.000 0.189 1499 N C 1.068 176.575 175.510 -0.006 0.000 1.154 1499 N CA 1.048 54.097 53.050 -0.002 0.000 0.907 1499 N CB -0.112 38.374 38.487 -0.001 0.000 0.977 1499 N HN 0.691 nan 8.380 nan 0.000 0.449 1500 G N 0.373 109.169 108.800 -0.007 0.000 2.198 1500 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 1500 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 1500 G C 0.952 175.842 174.900 -0.017 0.000 1.042 1500 G CA 0.342 45.435 45.100 -0.012 0.000 0.791 1500 G HN 0.213 nan 8.290 nan 0.000 0.502 1501 V N 0.074 119.978 119.914 -0.017 0.000 2.332 1501 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 1501 V C 3.221 179.293 176.094 -0.037 0.000 1.055 1501 V CA 3.099 65.384 62.300 -0.025 0.000 1.038 1501 V CB -0.915 30.897 31.823 -0.020 0.000 0.651 1501 V HN 1.021 nan 8.190 nan 0.000 0.450 1502 A N -0.062 122.736 122.820 -0.036 0.000 1.908 1502 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 1502 A C 2.104 179.657 177.584 -0.052 0.000 1.181 1502 A CA 2.116 54.123 52.037 -0.049 0.000 0.627 1502 A CB -0.447 18.525 19.000 -0.047 0.000 0.818 1502 A HN 0.579 nan 8.150 nan 0.000 0.445 1503 E N -0.697 119.479 120.200 -0.040 0.000 2.107 1503 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 1503 E C 2.143 178.719 176.600 -0.039 0.000 0.982 1503 E CA 1.158 57.535 56.400 -0.037 0.000 0.809 1503 E CB -0.253 29.431 29.700 -0.027 0.000 0.756 1503 E HN 0.640 nan 8.360 nan 0.000 0.459 1504 R N 0.480 120.958 120.500 -0.036 0.000 2.073 1504 R HA -0.043 4.297 4.340 -0.000 0.000 0.234 1504 R C 1.867 178.137 176.300 -0.049 0.000 1.134 1504 R CA 1.174 57.252 56.100 -0.037 0.000 0.952 1504 R CB -0.225 30.056 30.300 -0.032 0.000 0.850 1504 R HN 0.193 nan 8.270 nan 0.000 0.433 1505 L N 0.645 121.831 121.223 -0.061 0.000 2.552 1505 L HA 0.020 4.360 4.340 -0.000 0.000 0.227 1505 L C 0.495 177.315 176.870 -0.082 0.000 1.146 1505 L CA 0.264 55.056 54.840 -0.080 0.000 0.858 1505 L CB -0.377 41.626 42.059 -0.093 0.000 0.969 1505 L HN 0.455 nan 8.230 nan 0.000 0.451 1506 N N 1.333 119.989 118.700 -0.072 0.000 2.746 1506 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 1506 N C -0.286 175.162 175.510 -0.104 0.000 1.055 1506 N CA -0.010 52.994 53.050 -0.076 0.000 0.699 1506 N CB -0.722 37.726 38.487 -0.065 0.000 0.919 1506 N HN 0.261 nan 8.380 nan 0.000 0.548 1507 L N 1.095 122.252 121.223 -0.110 0.000 2.410 1507 L HA 0.075 4.415 4.340 -0.000 0.000 0.273 1507 L C 1.711 178.475 176.870 -0.177 0.000 1.152 1507 L CA 0.057 54.810 54.840 -0.146 0.000 0.855 1507 L CB 0.609 42.594 42.059 -0.123 0.000 1.129 1507 L HN 0.124 nan 8.230 nan 0.000 0.463 1508 R N 0.476 120.802 120.500 -0.290 0.000 2.254 1508 R HA 0.107 4.447 4.340 -0.000 0.000 0.195 1508 R C 0.523 176.651 176.300 -0.287 0.000 0.957 1508 R CA 0.039 55.930 56.100 -0.349 0.000 1.024 1508 R CB 0.154 30.093 30.300 -0.601 0.000 0.952 1508 R HN 0.535 nan 8.270 nan 0.000 0.484 1509 S N 0.381 115.931 115.700 -0.250 0.000 2.645 1509 S HA 0.552 5.022 4.470 -0.000 0.000 0.266 1509 S C 0.136 174.672 174.600 -0.106 0.000 1.258 1509 S CA -0.650 57.487 58.200 -0.104 0.000 0.990 1509 S CB 1.190 64.350 63.200 -0.067 0.000 0.967 1509 S HN 0.357 nan 8.310 nan 0.000 0.556 1510 A N 1.407 124.160 122.820 -0.112 0.000 2.462 1510 A HA 0.445 4.765 4.320 -0.000 0.000 0.243 1510 A C -0.164 177.325 177.584 -0.160 0.000 1.076 1510 A CA -0.162 51.789 52.037 -0.143 0.000 0.773 1510 A CB -0.253 18.639 19.000 -0.180 0.000 1.010 1510 A HN 0.581 nan 8.150 nan 0.000 0.493 1511 I N 1.058 121.549 120.570 -0.132 0.000 2.412 1511 I HA 0.601 4.771 4.170 -0.000 0.000 0.296 1511 I C 0.525 176.575 176.117 -0.113 0.000 0.987 1511 I CA -0.129 61.096 61.300 -0.125 0.000 1.180 1511 I CB 1.159 39.117 38.000 -0.069 0.000 1.340 1511 I HN 0.739 nan 8.210 nan 0.000 0.455 1512 A N 6.021 128.761 122.820 -0.133 0.000 2.435 1512 A HA 0.805 5.125 4.320 -0.000 0.000 0.304 1512 A C -1.058 176.644 177.584 0.196 0.000 1.064 1512 A CA -0.513 51.522 52.037 -0.002 0.000 0.727 1512 A CB 1.755 20.657 19.000 -0.164 0.000 1.284 1512 A HN 0.375 nan 8.150 nan 0.000 0.415 1513 V N 1.963 122.051 119.914 0.290 0.000 2.581 1513 V HA 0.555 4.675 4.120 -0.000 0.000 0.303 1513 V C 0.340 176.648 176.094 0.355 0.000 1.041 1513 V CA -0.540 61.920 62.300 0.267 0.000 0.907 1513 V CB 1.596 33.507 31.823 0.146 0.000 0.994 1513 V HN 1.064 nan 8.190 nan 0.000 0.442 1514 V N 2.641 122.711 119.914 0.259 0.000 2.686 1514 V HA 0.805 4.925 4.120 -0.000 0.000 0.295 1514 V C -0.370 175.774 176.094 0.083 0.000 1.057 1514 V CA -0.454 61.969 62.300 0.205 0.000 1.012 1514 V CB 1.047 32.942 31.823 0.121 0.000 1.006 1514 V HN 1.072 nan 8.190 nan 0.000 0.477 1515 K N 2.134 122.549 120.400 0.026 0.000 2.587 1515 K HA 0.671 4.991 4.320 -0.000 0.000 0.276 1515 K C 0.082 176.652 176.600 -0.049 0.000 0.956 1515 K CA -0.503 55.754 56.287 -0.050 0.000 0.857 1515 K CB 1.436 33.858 32.500 -0.131 0.000 1.431 1515 K HN 2.006 nan 8.250 nan 0.000 0.420 1516 G N 0.777 109.549 108.800 -0.046 0.000 2.149 1516 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.235 1516 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.235 1516 G C 0.549 175.423 174.900 -0.043 0.000 1.018 1516 G CA 0.112 45.187 45.100 -0.042 0.000 0.728 1516 G HN 0.662 nan 8.290 nan 0.000 0.508 1517 C N -0.272 119.000 119.300 -0.046 0.000 2.485 1517 C HA 0.133 4.593 4.460 -0.000 0.000 0.278 1517 C C 2.520 177.464 174.990 -0.076 0.000 1.356 1517 C CA 1.084 60.059 59.018 -0.071 0.000 1.747 1517 C CB -0.396 27.303 27.740 -0.068 0.000 2.001 1517 C HN 0.565 nan 8.230 nan 0.000 0.501 1518 R N 1.395 121.861 120.500 -0.056 0.000 2.246 1518 R HA 0.009 4.349 4.340 -0.000 0.000 0.199 1518 R C 1.822 178.094 176.300 -0.047 0.000 0.984 1518 R CA 1.408 57.477 56.100 -0.052 0.000 1.015 1518 R CB -1.623 28.652 30.300 -0.040 0.000 0.930 1518 R HN 0.701 nan 8.270 nan 0.000 0.475 1519 T N -2.371 112.156 114.554 -0.045 0.000 3.060 1519 T HA 0.174 4.524 4.350 -0.000 0.000 0.249 1519 T C 0.929 175.603 174.700 -0.043 0.000 1.079 1519 T CA -0.259 61.818 62.100 -0.039 0.000 1.013 1519 T CB 0.118 68.966 68.868 -0.033 0.000 0.975 1519 T HN -0.071 nan 8.240 nan 0.000 0.518 1520 V N 3.088 122.969 119.914 -0.055 0.000 2.614 1520 V HA 0.448 4.568 4.120 -0.000 0.000 0.291 1520 V C -0.332 175.725 176.094 -0.062 0.000 1.049 1520 V CA -0.482 61.781 62.300 -0.061 0.000 1.038 1520 V CB 0.986 32.762 31.823 -0.079 0.000 0.980 1520 V HN 0.742 nan 8.190 nan 0.000 0.481 1521 Q N 4.155 123.922 119.800 -0.054 0.000 2.605 1521 Q HA 0.489 4.829 4.340 -0.000 0.000 0.296 1521 Q C 0.302 176.273 176.000 -0.048 0.000 1.056 1521 Q CA -0.983 54.791 55.803 -0.047 0.000 0.778 1521 Q CB 1.412 30.131 28.738 -0.031 0.000 1.497 1521 Q HN 0.395 nan 8.270 nan 0.000 0.443 1522 K N 0.732 121.109 120.400 -0.039 0.000 2.113 1522 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 1522 K C 1.778 178.362 176.600 -0.028 0.000 1.047 1522 K CA 2.354 58.620 56.287 -0.036 0.000 0.928 1522 K CB -0.864 31.624 32.500 -0.021 0.000 0.716 1522 K HN 0.672 nan 8.250 nan 0.000 0.446 1523 A N 0.550 123.358 122.820 -0.021 0.000 2.070 1523 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 1523 A C 1.400 178.971 177.584 -0.021 0.000 1.159 1523 A CA 1.846 53.875 52.037 -0.013 0.000 0.656 1523 A CB -0.387 18.608 19.000 -0.009 0.000 0.800 1523 A HN 0.388 nan 8.150 nan 0.000 0.453 1524 D N -0.524 119.854 120.400 -0.036 0.000 2.347 1524 D HA 0.024 4.664 4.640 -0.000 0.000 0.213 1524 D C 0.362 176.619 176.300 -0.072 0.000 0.985 1524 D CA 0.297 54.267 54.000 -0.049 0.000 0.879 1524 D CB -0.118 40.651 40.800 -0.052 0.000 0.919 1524 D HN 0.283 nan 8.370 nan 0.000 0.526 1525 M N 1.786 121.344 119.600 -0.070 0.000 2.251 1525 M HA 0.056 4.536 4.480 -0.000 0.000 0.346 1525 M C -0.000 176.240 176.300 -0.099 0.000 1.499 1525 M CA -0.186 55.061 55.300 -0.087 0.000 1.128 1525 M CB 0.684 33.242 32.600 -0.071 0.000 1.809 1525 M HN -0.322 nan 8.290 nan 0.000 0.464 1526 V N 6.389 126.197 119.914 -0.177 0.000 2.509 1526 V HA -0.087 4.033 4.120 -0.000 0.000 0.297 1526 V C 1.124 177.089 176.094 -0.213 0.000 1.014 1526 V CA 0.338 62.455 62.300 -0.304 0.000 1.127 1526 V CB -0.818 30.698 31.823 -0.512 0.000 0.925 1526 V HN 0.903 nan 8.190 nan 0.000 0.480 1527 H N 2.607 121.699 119.070 0.037 0.000 3.329 1527 H HA -0.165 4.391 4.556 -0.000 0.000 0.245 1527 H C 0.602 175.951 175.328 0.034 0.000 1.099 1527 H CA 1.406 57.497 56.048 0.072 0.000 1.186 1527 H CB -1.360 28.368 29.762 -0.058 0.000 1.243 1527 H HN 0.854 nan 8.280 nan 0.000 0.319 1528 N N 0.026 118.778 118.700 0.087 0.000 2.687 1528 N HA 0.133 4.873 4.740 -0.000 0.000 0.275 1528 N C 0.146 175.671 175.510 0.024 0.000 1.789 1528 N CA 0.653 53.728 53.050 0.043 0.000 0.806 1528 N CB 0.998 39.483 38.487 -0.004 0.000 1.256 1528 N HN 0.291 nan 8.380 nan 0.000 0.500 1529 S N -0.696 115.031 115.700 0.045 0.000 2.593 1529 S HA 0.151 4.621 4.470 -0.000 0.000 0.236 1529 S C 0.406 175.023 174.600 0.028 0.000 0.991 1529 S CA -0.413 57.802 58.200 0.025 0.000 0.963 1529 S CB 0.253 63.469 63.200 0.026 0.000 0.865 1529 S HN 0.246 nan 8.310 nan 0.000 0.488 1530 L N 2.711 123.958 121.223 0.040 0.000 2.455 1530 L HA 0.319 4.659 4.340 -0.000 0.000 0.272 1530 L C -0.158 176.727 176.870 0.025 0.000 1.174 1530 L CA 0.900 55.762 54.840 0.036 0.000 0.869 1530 L CB 0.435 42.522 42.059 0.047 0.000 1.130 1530 L HN 0.298 nan 8.230 nan 0.000 0.474 1531 Q N 7.113 126.919 119.800 0.011 0.000 2.607 1531 Q HA 0.390 4.730 4.340 -0.000 0.000 0.247 1531 Q C -2.245 173.748 176.000 -0.012 0.000 1.033 1531 Q CA -1.719 54.080 55.803 -0.006 0.000 0.769 1531 Q CB 1.098 29.821 28.738 -0.025 0.000 1.169 1531 Q HN 0.546 nan 8.270 nan 0.000 0.508 1532 P HA 0.065 nan 4.420 nan 0.000 0.277 1532 P C -0.600 176.689 177.300 -0.018 0.000 1.240 1532 P CA -0.485 62.615 63.100 -0.000 0.000 0.798 1532 P CB 0.896 32.606 31.700 0.017 0.000 0.979 1533 N N 2.523 121.212 118.700 -0.018 0.000 2.739 1533 N HA 0.132 4.872 4.740 -0.000 0.000 0.266 1533 N C -0.546 174.957 175.510 -0.011 0.000 1.168 1533 N CA -0.221 52.814 53.050 -0.026 0.000 1.055 1533 N CB -1.019 37.455 38.487 -0.021 0.000 1.393 1533 N HN 0.420 nan 8.380 nan 0.000 0.514 1534 I N 2.075 122.642 120.570 -0.005 0.000 2.392 1534 I HA 0.471 4.641 4.170 -0.000 0.000 0.295 1534 I C -0.343 175.783 176.117 0.015 0.000 0.985 1534 I CA -0.326 60.981 61.300 0.012 0.000 1.221 1534 I CB 1.177 39.196 38.000 0.031 0.000 1.366 1534 I HN 0.477 nan 8.210 nan 0.000 0.467 1535 T N 3.841 118.404 114.554 0.015 0.000 2.906 1535 T HA 0.703 5.053 4.350 -0.000 0.000 0.295 1535 T C -0.959 173.754 174.700 0.022 0.000 1.075 1535 T CA -0.720 61.389 62.100 0.016 0.000 1.005 1535 T CB 1.865 70.738 68.868 0.007 0.000 1.136 1535 T HN 0.299 nan 8.240 nan 0.000 0.498 1536 V N 1.728 121.657 119.914 0.026 0.000 2.577 1536 V HA 0.409 4.529 4.120 -0.000 0.000 0.303 1536 V C -0.545 175.577 176.094 0.046 0.000 1.042 1536 V CA -0.911 61.414 62.300 0.041 0.000 0.872 1536 V CB 1.755 33.606 31.823 0.046 0.000 0.998 1536 V HN 1.072 nan 8.190 nan 0.000 0.423 1537 D N 3.427 123.861 120.400 0.057 0.000 2.371 1537 D HA 0.250 4.889 4.640 -0.000 0.000 0.256 1537 D C 1.094 177.446 176.300 0.087 0.000 1.193 1537 D CA 0.443 54.467 54.000 0.040 0.000 0.881 1537 D CB 2.133 42.941 40.800 0.012 0.000 1.143 1537 D HN 0.666 nan 8.370 nan 0.000 0.473 1538 A N 4.207 127.056 122.820 0.049 0.000 1.978 1538 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 1538 A C 1.864 179.494 177.584 0.077 0.000 1.170 1538 A CA 1.607 53.692 52.037 0.080 0.000 0.636 1538 A CB -0.103 18.892 19.000 -0.007 0.000 0.810 1538 A HN 0.680 nan 8.150 nan 0.000 0.448 1539 Q N -1.207 118.557 119.800 -0.060 0.000 2.200 1539 Q HA 0.006 4.346 4.340 -0.000 0.000 0.197 1539 Q C 2.107 177.820 176.000 -0.477 0.000 0.953 1539 Q CA 1.512 57.194 55.803 -0.202 0.000 0.851 1539 Q CB -0.386 28.276 28.738 -0.127 0.000 0.938 1539 Q HN 0.718 nan 8.270 nan 0.000 0.488 1540 T N -3.202 111.163 114.554 -0.314 0.000 3.067 1540 T HA -0.023 4.327 4.350 -0.000 0.000 0.257 1540 T C -0.088 174.463 174.700 -0.249 0.000 1.105 1540 T CA 0.239 62.150 62.100 -0.315 0.000 1.104 1540 T CB -0.044 68.745 68.868 -0.131 0.000 0.925 1540 T HN 0.274 nan 8.240 nan 0.000 0.498 1541 Y N 0.547 120.836 120.300 -0.018 0.000 4.907 1541 Y HA -0.177 4.373 4.550 -0.000 0.000 0.246 1541 Y C 0.189 176.074 175.900 -0.026 0.000 0.968 1541 Y CA -0.318 57.769 58.100 -0.021 0.000 1.961 1541 Y CB -2.909 35.537 38.460 -0.024 0.000 1.487 1541 Y HN 0.514 nan 8.280 nan 0.000 0.575 1542 E N 0.557 120.814 120.200 0.095 0.000 2.376 1542 E HA 0.359 4.709 4.350 -0.000 0.000 0.266 1542 E C 0.055 176.678 176.600 0.038 0.000 1.009 1542 E CA -0.152 56.276 56.400 0.046 0.000 0.902 1542 E CB 1.195 30.904 29.700 0.016 0.000 0.972 1542 E HN 0.030 nan 8.360 nan 0.000 0.439 1543 V N 4.581 124.506 119.914 0.019 0.000 2.439 1543 V HA 0.338 4.458 4.120 -0.000 0.000 0.282 1543 V C 0.178 176.275 176.094 0.005 0.000 1.039 1543 V CA -0.373 61.933 62.300 0.010 0.000 0.913 1543 V CB 1.018 32.837 31.823 -0.008 0.000 0.983 1543 V HN 0.611 nan 8.190 nan 0.000 0.460 1544 R N 2.982 123.486 120.500 0.007 0.000 2.574 1544 R HA 0.708 5.048 4.340 -0.000 0.000 0.288 1544 R C -1.695 174.607 176.300 0.004 0.000 1.004 1544 R CA -0.685 55.418 56.100 0.004 0.000 0.895 1544 R CB 2.559 32.861 30.300 0.004 0.000 1.191 1544 R HN 0.500 nan 8.270 nan 0.000 0.444 1545 V N 3.525 123.440 119.914 0.002 0.000 2.357 1545 V HA 0.157 4.277 4.120 -0.000 0.000 0.284 1545 V C -0.175 175.920 176.094 0.001 0.000 1.018 1545 V CA -0.490 61.811 62.300 0.002 0.000 0.841 1545 V CB 1.448 33.273 31.823 0.003 0.000 0.991 1545 V HN 0.875 nan 8.190 nan 0.000 0.437 1546 D N 4.433 124.833 120.400 -0.001 0.000 2.772 1546 D HA -0.211 4.429 4.640 -0.000 0.000 0.233 1546 D C 1.343 177.642 176.300 -0.001 0.000 1.143 1546 D CA 1.556 55.555 54.000 -0.002 0.000 0.700 1546 D CB -1.070 39.729 40.800 -0.001 0.000 1.076 1546 D HN 1.350 nan 8.370 nan 0.000 0.430 1547 G N 0.105 108.904 108.800 -0.001 0.000 2.267 1547 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.257 1547 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.257 1547 G C 0.169 175.070 174.900 0.000 0.000 0.998 1547 G CA 0.851 45.950 45.100 -0.001 0.000 0.620 1547 G HN 0.732 nan 8.290 nan 0.000 0.529 1548 E N 0.863 121.064 120.200 0.001 0.000 2.313 1548 E HA 0.564 4.914 4.350 -0.000 0.000 0.276 1548 E C 0.138 176.740 176.600 0.002 0.000 1.031 1548 E CA -1.018 55.383 56.400 0.002 0.000 0.857 1548 E CB 1.482 31.184 29.700 0.004 0.000 1.040 1548 E HN 0.418 nan 8.360 nan 0.000 0.408 1549 L N 4.441 125.666 121.223 0.003 0.000 2.367 1549 L HA 0.208 4.548 4.340 -0.000 0.000 0.275 1549 L C -0.863 176.008 176.870 0.002 0.000 1.129 1549 L CA -0.170 54.671 54.840 0.003 0.000 0.839 1549 L CB 0.582 42.643 42.059 0.004 0.000 1.133 1549 L HN 0.579 nan 8.230 nan 0.000 0.453 1550 I N 5.307 125.876 120.570 -0.003 0.000 2.330 1550 I HA 0.458 4.628 4.170 -0.000 0.000 0.289 1550 I C 0.282 176.392 176.117 -0.012 0.000 1.001 1550 I CA -0.066 61.229 61.300 -0.008 0.000 1.193 1550 I CB 0.657 38.645 38.000 -0.020 0.000 1.345 1550 I HN 0.700 nan 8.210 nan 0.000 0.461 1551 T N 4.097 118.651 114.554 0.000 0.000 2.711 1551 T HA 0.744 5.094 4.350 -0.000 0.000 0.302 1551 T C -1.092 173.631 174.700 0.038 0.000 1.373 1551 T CA -0.278 61.827 62.100 0.009 0.000 1.000 1551 T CB 1.630 70.509 68.868 0.019 0.000 1.483 1551 T HN 0.788 nan 8.240 nan 0.000 0.499 1552 S N 0.761 116.509 115.700 0.081 0.000 2.611 1552 S HA 0.698 5.168 4.470 -0.000 0.000 0.268 1552 S C -1.896 172.822 174.600 0.198 0.000 1.156 1552 S CA -0.979 57.294 58.200 0.121 0.000 0.817 1552 S CB 1.748 65.024 63.200 0.127 0.000 1.122 1552 S HN 0.630 nan 8.310 nan 0.000 0.466 1553 E N 1.914 122.191 120.200 0.128 0.000 2.231 1553 E HA 0.508 4.858 4.350 -0.000 0.000 0.277 1553 E C -2.555 173.997 176.600 -0.081 0.000 0.999 1553 E CA -2.210 54.223 56.400 0.055 0.000 0.827 1553 E CB 1.381 31.088 29.700 0.011 0.000 1.101 1553 E HN 0.509 nan 8.360 nan 0.000 0.393 1554 P HA 0.143 nan 4.420 nan 0.000 0.276 1554 P C -0.824 176.298 177.300 -0.296 0.000 1.230 1554 P CA -0.284 62.388 63.100 -0.713 0.000 0.776 1554 P CB 0.871 31.938 31.700 -1.055 0.000 0.888 1555 A N 3.366 126.067 122.820 -0.198 0.000 2.388 1555 A HA 0.202 4.522 4.320 -0.000 0.000 0.257 1555 A C 1.245 178.781 177.584 -0.079 0.000 1.095 1555 A CA -0.338 51.650 52.037 -0.081 0.000 0.791 1555 A CB 0.054 19.047 19.000 -0.012 0.000 1.029 1555 A HN 0.659 nan 8.150 nan 0.000 0.489 1556 D N 0.812 121.186 120.400 -0.043 0.000 2.324 1556 D HA 0.086 4.726 4.640 -0.000 0.000 0.212 1556 D C 0.159 176.451 176.300 -0.012 0.000 0.984 1556 D CA 0.597 54.578 54.000 -0.033 0.000 0.885 1556 D CB -0.023 40.761 40.800 -0.026 0.000 0.996 1556 D HN 0.209 nan 8.370 nan 0.000 0.505 1557 V N 0.634 120.550 119.914 0.002 0.000 2.971 1557 V HA 0.446 4.566 4.120 -0.000 0.000 0.309 1557 V C -0.695 175.411 176.094 0.021 0.000 1.130 1557 V CA -0.893 61.413 62.300 0.011 0.000 0.964 1557 V CB 2.774 34.604 31.823 0.011 0.000 1.029 1557 V HN 0.058 nan 8.190 nan 0.000 0.427 1558 L N 4.621 125.852 121.223 0.012 0.000 2.371 1558 L HA 0.658 4.998 4.340 -0.000 0.000 0.262 1558 L C -2.332 174.513 176.870 -0.043 0.000 1.006 1558 L CA -1.603 53.233 54.840 -0.007 0.000 0.818 1558 L CB 3.054 45.122 42.059 0.015 0.000 1.354 1558 L HN 0.476 nan 8.230 nan 0.000 0.415 1559 P HA 0.269 nan 4.420 nan 0.000 0.279 1559 P C -0.158 177.148 177.300 0.010 0.000 1.282 1559 P CA -0.439 62.587 63.100 -0.123 0.000 0.788 1559 P CB 0.788 32.276 31.700 -0.353 0.000 1.139 1560 M N -2.630 117.043 119.600 0.122 0.000 2.393 1560 M HA -0.261 4.219 4.480 -0.000 0.000 0.201 1560 M C 0.333 176.807 176.300 0.290 0.000 0.403 1560 M CA 0.830 56.202 55.300 0.120 0.000 0.471 1560 M CB -2.113 30.476 32.600 -0.018 0.000 1.669 1560 M HN 0.580 nan 8.290 nan 0.000 0.864 1561 A N -0.334 122.694 122.820 0.347 0.000 2.446 1561 A HA 0.299 4.619 4.320 -0.000 0.000 0.199 1561 A C 1.027 178.833 177.584 0.369 0.000 1.677 1561 A CA 0.210 52.454 52.037 0.346 0.000 1.600 1561 A CB 0.042 19.140 19.000 0.164 0.000 1.583 1561 A HN 0.445 nan 8.150 nan 0.000 0.551 1562 Q N -0.218 119.694 119.800 0.188 0.000 2.443 1562 Q HA -0.083 4.257 4.340 -0.000 0.000 0.213 1562 Q C 1.858 177.869 176.000 0.020 0.000 0.982 1562 Q CA 1.075 56.949 55.803 0.118 0.000 0.894 1562 Q CB -0.072 28.699 28.738 0.054 0.000 0.947 1562 Q HN 0.503 nan 8.270 nan 0.000 0.480 1563 R N -0.750 119.705 120.500 -0.075 0.000 2.275 1563 R HA -0.062 4.278 4.340 -0.000 0.000 0.199 1563 R C 0.628 176.622 176.300 -0.510 0.000 0.989 1563 R CA 0.755 56.647 56.100 -0.347 0.000 1.016 1563 R CB 0.383 30.343 30.300 -0.567 0.000 0.918 1563 R HN 0.303 nan 8.270 nan 0.000 0.473 1564 Y N -2.189 118.030 120.300 -0.135 0.000 2.535 1564 Y HA 0.236 4.786 4.550 -0.000 0.000 0.264 1564 Y C -0.011 175.623 175.900 -0.443 0.000 1.087 1564 Y CA -0.463 57.450 58.100 -0.312 0.000 1.285 1564 Y CB 0.516 38.659 38.460 -0.529 0.000 1.200 1564 Y HN -0.180 nan 8.280 nan 0.000 0.514 1565 F N 0.227 120.296 119.950 0.198 0.000 2.421 1565 F HA 0.267 4.794 4.527 -0.000 0.000 0.337 1565 F C 0.853 176.681 175.800 0.046 0.000 1.105 1565 F CA -0.799 57.284 58.000 0.138 0.000 1.049 1565 F CB 1.388 40.471 39.000 0.137 0.000 1.139 1565 F HN -0.184 nan 8.300 nan 0.000 0.479 1566 L N 2.299 123.638 121.223 0.193 0.000 2.217 1566 L HA 0.147 4.487 4.340 -0.000 0.000 0.211 1566 L C -0.496 176.170 176.870 -0.341 0.000 1.107 1566 L CA 1.752 56.541 54.840 -0.084 0.000 0.783 1566 L CB -0.376 41.645 42.059 -0.064 0.000 0.919 1566 L HN 0.453 nan 8.230 nan 0.000 0.442 1567 F N 0.000 120.041 119.950 0.152 0.000 2.286 1567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1567 F CA 0.000 58.052 58.000 0.087 0.000 1.383 1567 F CB 0.000 39.032 39.000 0.053 0.000 1.145 1567 F HN 0.000 nan 8.300 nan 0.000 0.574