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 1ejv_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 0.000 174.616 174.600 0.026 0.000 1.055 1002 S CA 0.000 58.218 58.200 0.030 0.000 1.107 1002 S CB 0.000 63.225 63.200 0.042 0.000 0.593 1003 N N 1.338 120.053 118.700 0.025 0.000 2.509 1003 N HA 0.732 5.472 4.740 -0.000 0.000 0.280 1003 N C -1.549 173.982 175.510 0.034 0.000 1.306 1003 N CA -0.595 52.463 53.050 0.013 0.000 0.782 1003 N CB 2.217 40.703 38.487 -0.000 0.000 1.493 1003 N HN 0.688 nan 8.380 nan 0.000 0.498 1004 I N 0.531 121.118 120.570 0.029 0.000 2.743 1004 I HA 0.114 4.284 4.170 -0.000 0.000 0.292 1004 I C -0.413 175.732 176.117 0.046 0.000 1.343 1004 I CA -0.411 60.931 61.300 0.071 0.000 1.038 1004 I CB 1.777 39.873 38.000 0.160 0.000 1.311 1004 I HN 0.632 nan 8.210 nan 0.000 0.426 1005 S N 6.192 121.924 115.700 0.053 0.000 2.562 1005 S HA 0.273 4.743 4.470 -0.000 0.000 0.281 1005 S C 1.048 175.687 174.600 0.064 0.000 1.333 1005 S CA -0.294 57.928 58.200 0.035 0.000 1.052 1005 S CB 1.361 64.582 63.200 0.035 0.000 0.884 1005 S HN 0.832 nan 8.310 nan 0.000 0.506 1006 R N 0.910 121.420 120.500 0.018 0.000 2.127 1006 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 1006 R C 2.339 178.710 176.300 0.118 0.000 1.134 1006 R CA 1.720 57.838 56.100 0.029 0.000 0.975 1006 R CB -0.380 29.901 30.300 -0.032 0.000 0.865 1006 R HN 0.791 nan 8.270 nan 0.000 0.447 1007 Q N 0.709 120.561 119.800 0.087 0.000 2.046 1007 Q HA -0.049 4.291 4.340 -0.000 0.000 0.200 1007 Q C 1.957 178.022 176.000 0.107 0.000 0.975 1007 Q CA 2.027 57.884 55.803 0.089 0.000 0.836 1007 Q CB -0.294 28.477 28.738 0.056 0.000 0.896 1007 Q HN 0.293 nan 8.270 nan 0.000 0.428 1008 A N -0.647 122.235 122.820 0.104 0.000 1.933 1008 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 1008 A C 2.057 179.722 177.584 0.136 0.000 1.175 1008 A CA 1.483 53.574 52.037 0.090 0.000 0.628 1008 A CB -1.061 17.987 19.000 0.080 0.000 0.814 1008 A HN 0.625 nan 8.150 nan 0.000 0.444 1009 Y N 0.469 120.829 120.300 0.100 0.000 2.114 1009 Y HA -0.104 4.446 4.550 -0.000 0.000 0.284 1009 Y C 2.693 178.717 175.900 0.208 0.000 1.143 1009 Y CA 1.546 59.773 58.100 0.211 0.000 1.135 1009 Y CB -0.432 38.114 38.460 0.142 0.000 0.980 1009 Y HN 0.317 nan 8.280 nan 0.000 0.499 1010 A N 0.141 123.175 122.820 0.357 0.000 1.948 1010 A HA -0.239 4.080 4.320 -0.000 0.000 0.220 1010 A C 1.831 179.474 177.584 0.098 0.000 1.177 1010 A CA 2.197 54.380 52.037 0.243 0.000 0.636 1010 A CB -0.861 18.251 19.000 0.188 0.000 0.815 1010 A HN 0.570 nan 8.150 nan 0.000 0.449 1011 D N -1.234 119.194 120.400 0.047 0.000 2.178 1011 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 1011 D C 1.903 178.131 176.300 -0.120 0.000 0.974 1011 D CA 1.169 55.158 54.000 -0.019 0.000 0.841 1011 D CB -0.219 40.572 40.800 -0.016 0.000 0.953 1011 D HN 0.509 nan 8.370 nan 0.000 0.478 1012 M N -1.290 118.169 119.600 -0.236 0.000 2.248 1012 M HA 0.013 4.493 4.480 -0.000 0.000 0.265 1012 M C 0.519 176.331 176.300 -0.812 0.000 1.079 1012 M CA 1.185 56.127 55.300 -0.596 0.000 1.150 1012 M CB 0.326 32.414 32.600 -0.852 0.000 1.366 1012 M HN -0.099 nan 8.290 nan 0.000 0.433 1013 F N -0.229 119.567 119.950 -0.257 0.000 2.729 1013 F HA 0.482 5.009 4.527 -0.000 0.000 0.315 1013 F C 0.824 176.590 175.800 -0.056 0.000 1.102 1013 F CA 0.085 57.960 58.000 -0.209 0.000 1.204 1013 F CB 0.156 38.908 39.000 -0.413 0.000 1.052 1013 F HN 0.228 nan 8.300 nan 0.000 0.551 1014 G N 1.564 110.435 108.800 0.118 0.000 2.707 1014 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 1014 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 1014 G C -2.967 172.079 174.900 0.244 0.000 1.315 1014 G CA -1.321 43.872 45.100 0.156 0.000 0.832 1014 G HN -0.038 nan 8.290 nan 0.000 0.573 1015 P HA 0.424 nan 4.420 nan 0.000 0.270 1015 P C 0.109 177.557 177.300 0.248 0.000 1.223 1015 P CA 0.500 63.727 63.100 0.212 0.000 0.785 1015 P CB 1.558 33.342 31.700 0.139 0.000 0.923 1016 T N -0.553 114.129 114.554 0.212 0.000 2.742 1016 T HA 0.273 4.623 4.350 -0.000 0.000 0.282 1016 T C -0.529 174.240 174.700 0.115 0.000 1.025 1016 T CA -0.772 61.442 62.100 0.190 0.000 1.020 1016 T CB 0.635 69.613 68.868 0.183 0.000 1.317 1016 T HN 0.099 nan 8.240 nan 0.000 0.538 1017 V N 2.413 122.392 119.914 0.110 0.000 2.621 1017 V HA 0.306 4.426 4.120 -0.000 0.000 0.300 1017 V C 1.830 177.954 176.094 0.049 0.000 1.031 1017 V CA 1.746 64.093 62.300 0.077 0.000 1.210 1017 V CB -0.374 31.498 31.823 0.081 0.000 0.864 1017 V HN 1.329 nan 8.190 nan 0.000 0.477 1018 G N 3.803 112.628 108.800 0.043 0.000 2.254 1018 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.225 1018 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.225 1018 G C -0.080 174.836 174.900 0.027 0.000 1.003 1018 G CA -0.031 45.084 45.100 0.025 0.000 0.622 1018 G HN 0.658 nan 8.290 nan 0.000 0.507 1019 D N 1.692 122.120 120.400 0.048 0.000 2.345 1019 D HA 0.530 5.170 4.640 -0.000 0.000 0.247 1019 D C 0.576 176.924 176.300 0.080 0.000 1.108 1019 D CA 0.407 54.445 54.000 0.063 0.000 0.894 1019 D CB 1.044 41.897 40.800 0.088 0.000 1.203 1019 D HN 0.425 nan 8.370 nan 0.000 0.430 1020 K N 0.393 120.857 120.400 0.107 0.000 2.156 1020 K HA 0.682 5.002 4.320 -0.000 0.000 0.250 1020 K C -0.889 175.888 176.600 0.296 0.000 0.955 1020 K CA -0.976 55.427 56.287 0.192 0.000 0.855 1020 K CB 2.106 34.704 32.500 0.163 0.000 1.101 1020 K HN 0.091 nan 8.250 nan 0.000 0.434 1021 V N 1.577 121.652 119.914 0.269 0.000 2.686 1021 V HA 0.367 4.487 4.120 -0.000 0.000 0.306 1021 V C -0.527 175.438 176.094 -0.215 0.000 1.065 1021 V CA -1.021 61.318 62.300 0.064 0.000 0.894 1021 V CB 1.706 33.501 31.823 -0.047 0.000 1.004 1021 V HN 0.698 nan 8.190 nan 0.000 0.424 1022 R N 3.947 124.052 120.500 -0.658 0.000 2.298 1022 R HA 0.483 4.823 4.340 -0.000 0.000 0.310 1022 R C -0.850 175.073 176.300 -0.628 0.000 1.068 1022 R CA -0.544 54.896 56.100 -1.100 0.000 0.957 1022 R CB 0.570 30.052 30.300 -1.362 0.000 1.003 1022 R HN 0.726 nan 8.270 nan 0.000 0.454 1023 L N 6.251 127.114 121.223 -0.600 0.000 2.385 1023 L HA 0.180 4.520 4.340 -0.000 0.000 0.281 1023 L C 1.213 177.866 176.870 -0.362 0.000 1.106 1023 L CA 0.339 54.851 54.840 -0.547 0.000 0.856 1023 L CB 0.374 42.008 42.059 -0.708 0.000 1.186 1023 L HN 1.086 nan 8.230 nan 0.000 0.453 1024 A N 4.200 126.869 122.820 -0.251 0.000 5.584 1024 A HA -0.315 4.005 4.320 -0.000 0.000 0.303 1024 A C 0.827 178.310 177.584 -0.168 0.000 1.923 1024 A CA 1.398 53.337 52.037 -0.163 0.000 0.717 1024 A CB -1.053 17.845 19.000 -0.170 0.000 1.281 1024 A HN 0.971 nan 8.150 nan 0.000 0.379 1025 D N 0.100 120.452 120.400 -0.080 0.000 2.491 1025 D HA 0.336 4.976 4.640 -0.000 0.000 0.228 1025 D C 0.723 176.924 176.300 -0.166 0.000 1.183 1025 D CA 1.026 54.961 54.000 -0.108 0.000 0.827 1025 D CB -1.035 39.741 40.800 -0.041 0.000 0.989 1025 D HN 1.091 nan 8.370 nan 0.000 0.494 1026 T N -2.826 111.603 114.554 -0.208 0.000 2.852 1026 T HA 0.269 4.619 4.350 -0.000 0.000 0.281 1026 T C 0.785 175.447 174.700 -0.063 0.000 0.993 1026 T CA -0.514 61.471 62.100 -0.190 0.000 0.933 1026 T CB 1.636 70.433 68.868 -0.117 0.000 1.187 1026 T HN -0.211 nan 8.240 nan 0.000 0.559 1027 E N -0.097 120.235 120.200 0.219 0.000 2.474 1027 E HA 0.275 4.625 4.350 -0.000 0.000 0.195 1027 E C 0.045 176.706 176.600 0.103 0.000 1.039 1027 E CA -0.098 56.397 56.400 0.159 0.000 0.881 1027 E CB -0.068 29.756 29.700 0.208 0.000 0.970 1027 E HN 0.551 nan 8.360 nan 0.000 0.486 1028 L N 0.818 122.030 121.223 -0.018 0.000 2.319 1028 L HA 0.198 4.538 4.340 -0.000 0.000 0.280 1028 L C -0.386 176.380 176.870 -0.173 0.000 1.099 1028 L CA -0.164 54.657 54.840 -0.032 0.000 0.828 1028 L CB 0.334 42.344 42.059 -0.081 0.000 1.150 1028 L HN -0.081 nan 8.230 nan 0.000 0.442 1029 W N 4.763 126.012 121.300 -0.085 0.000 2.656 1029 W HA 0.605 5.265 4.660 -0.000 0.000 0.327 1029 W C -0.138 176.317 176.519 -0.107 0.000 1.041 1029 W CA -0.490 56.796 57.345 -0.098 0.000 1.229 1029 W CB 1.508 30.933 29.460 -0.059 0.000 1.397 1029 W HN 0.248 nan 8.180 nan 0.000 0.479 1030 I N -0.368 120.252 120.570 0.083 0.000 2.607 1030 I HA 0.661 4.831 4.170 -0.000 0.000 0.305 1030 I C -0.506 175.652 176.117 0.068 0.000 0.995 1030 I CA -1.058 60.248 61.300 0.011 0.000 1.148 1030 I CB 2.134 40.059 38.000 -0.125 0.000 1.323 1030 I HN 0.401 nan 8.210 nan 0.000 0.461 1031 E N 3.994 124.222 120.200 0.046 0.000 2.224 1031 E HA 0.397 4.747 4.350 -0.000 0.000 0.265 1031 E C -1.343 175.279 176.600 0.037 0.000 0.878 1031 E CA -0.915 55.516 56.400 0.051 0.000 0.759 1031 E CB 2.397 32.123 29.700 0.043 0.000 1.164 1031 E HN 0.617 nan 8.360 nan 0.000 0.414 1032 V N 5.252 125.193 119.914 0.045 0.000 2.434 1032 V HA -0.056 4.064 4.120 -0.000 0.000 0.281 1032 V C 0.992 177.118 176.094 0.053 0.000 1.005 1032 V CA 0.743 63.073 62.300 0.050 0.000 1.089 1032 V CB 0.384 32.251 31.823 0.073 0.000 0.978 1032 V HN 0.825 nan 8.190 nan 0.000 0.474 1033 E N 2.358 122.589 120.200 0.051 0.000 2.158 1033 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 1033 E C 0.398 177.039 176.600 0.067 0.000 0.982 1033 E CA 0.586 57.021 56.400 0.059 0.000 0.823 1033 E CB 0.343 30.082 29.700 0.066 0.000 0.766 1033 E HN 0.748 nan 8.360 nan 0.000 0.468 1034 D N -0.654 119.791 120.400 0.076 0.000 2.609 1034 D HA 0.171 4.810 4.640 -0.000 0.000 0.239 1034 D C -1.908 174.437 176.300 0.075 0.000 1.229 1034 D CA -0.522 53.523 54.000 0.075 0.000 0.808 1034 D CB 2.151 43.004 40.800 0.089 0.000 1.448 1034 D HN -0.204 nan 8.370 nan 0.000 0.433 1035 D N 2.003 122.434 120.400 0.051 0.000 2.788 1035 D HA 0.261 4.901 4.640 -0.000 0.000 0.247 1035 D C 0.395 176.682 176.300 -0.022 0.000 1.236 1035 D CA -0.371 53.649 54.000 0.033 0.000 0.898 1035 D CB 1.442 42.263 40.800 0.035 0.000 1.401 1035 D HN 0.293 nan 8.370 nan 0.000 0.549 1036 L N 2.186 123.410 121.223 0.002 0.000 2.612 1036 L HA 0.124 4.464 4.340 -0.000 0.000 0.230 1036 L C 1.441 178.276 176.870 -0.058 0.000 1.140 1036 L CA 0.131 54.961 54.840 -0.016 0.000 0.896 1036 L CB -0.002 42.074 42.059 0.028 0.000 1.065 1036 L HN 0.295 nan 8.230 nan 0.000 0.447 1037 T N -0.489 113.995 114.554 -0.115 0.000 2.810 1037 T HA 0.240 4.590 4.350 -0.000 0.000 0.277 1037 T C 0.197 174.735 174.700 -0.269 0.000 0.973 1037 T CA -0.004 62.004 62.100 -0.153 0.000 0.949 1037 T CB 1.254 70.043 68.868 -0.131 0.000 1.075 1037 T HN -0.019 nan 8.240 nan 0.000 0.537 1038 T N 2.721 117.145 114.554 -0.217 0.000 2.864 1038 T HA 0.356 4.706 4.350 -0.000 0.000 0.310 1038 T C -0.956 173.658 174.700 -0.143 0.000 1.040 1038 T CA -0.222 61.760 62.100 -0.196 0.000 0.977 1038 T CB -0.203 68.617 68.868 -0.080 0.000 0.976 1038 T HN 0.534 nan 8.240 nan 0.000 0.459 1039 Y N 2.038 122.323 120.300 -0.025 0.000 2.852 1039 Y HA 0.191 4.741 4.550 -0.000 0.000 0.343 1039 Y C 1.738 177.622 175.900 -0.027 0.000 1.280 1039 Y CA 1.055 59.137 58.100 -0.030 0.000 1.604 1039 Y CB 0.028 38.458 38.460 -0.050 0.000 1.216 1039 Y HN 1.031 nan 8.280 nan 0.000 0.541 1040 G N 2.090 110.955 108.800 0.109 0.000 2.238 1040 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 1040 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 1040 G C 0.572 175.484 174.900 0.019 0.000 0.996 1040 G CA -0.090 45.043 45.100 0.055 0.000 0.632 1040 G HN 0.534 nan 8.290 nan 0.000 0.503 1041 E N 1.033 121.232 120.200 -0.002 0.000 2.558 1041 E HA 0.236 4.586 4.350 -0.000 0.000 0.205 1041 E C 0.324 176.919 176.600 -0.007 0.000 1.006 1041 E CA -0.000 56.401 56.400 0.002 0.000 0.961 1041 E CB 0.491 30.193 29.700 0.003 0.000 1.044 1041 E HN 0.687 nan 8.360 nan 0.000 0.465 1042 E N 0.796 120.959 120.200 -0.061 0.000 2.415 1042 E HA 0.064 4.414 4.350 -0.000 0.000 0.262 1042 E C 0.178 176.827 176.600 0.082 0.000 1.038 1042 E CA -0.085 56.291 56.400 -0.040 0.000 0.921 1042 E CB 0.829 30.373 29.700 -0.261 0.000 0.950 1042 E HN -0.087 nan 8.360 nan 0.000 0.438 1043 V N -0.037 119.945 119.914 0.115 0.000 2.439 1043 V HA 0.518 4.638 4.120 -0.000 0.000 0.282 1043 V C -0.064 176.141 176.094 0.185 0.000 1.039 1043 V CA -0.635 61.747 62.300 0.136 0.000 0.913 1043 V CB 1.099 32.985 31.823 0.106 0.000 0.983 1043 V HN 0.483 nan 8.190 nan 0.000 0.460 1044 K N 3.575 124.085 120.400 0.183 0.000 2.422 1044 K HA 0.578 4.898 4.320 -0.000 0.000 0.251 1044 K C -1.849 174.858 176.600 0.179 0.000 0.933 1044 K CA -0.675 55.713 56.287 0.170 0.000 0.798 1044 K CB 2.662 35.239 32.500 0.128 0.000 1.238 1044 K HN 0.742 nan 8.250 nan 0.000 0.428 1045 F N 1.364 121.329 119.950 0.024 0.000 2.443 1045 F HA 0.699 5.226 4.527 -0.000 0.000 0.335 1045 F C 0.109 175.909 175.800 0.000 0.000 1.104 1045 F CA 0.265 58.272 58.000 0.013 0.000 1.013 1045 F CB 1.670 40.676 39.000 0.011 0.000 1.136 1045 F HN 0.654 nan 8.300 nan 0.000 0.470 1046 G N 2.529 110.770 108.800 -0.932 0.000 2.356 1046 G HA2 0.369 4.329 3.960 -0.000 0.000 0.300 1046 G HA3 0.369 4.329 3.960 -0.000 0.000 0.300 1046 G C -0.847 173.765 174.900 -0.480 0.000 1.331 1046 G CA -0.475 44.200 45.100 -0.707 0.000 0.905 1046 G HN 1.022 nan 8.290 nan 0.000 0.587 1047 G N -0.804 107.806 108.800 -0.316 0.000 2.299 1047 G HA2 0.538 4.497 3.960 -0.000 0.000 0.256 1047 G HA3 0.538 4.497 3.960 -0.000 0.000 0.256 1047 G C 1.456 176.273 174.900 -0.138 0.000 1.259 1047 G CA 1.771 46.753 45.100 -0.197 0.000 0.943 1047 G HN 2.441 nan 8.290 nan 0.000 0.479 1048 G N 1.723 110.459 108.800 -0.108 0.000 2.184 1048 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.264 1048 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.264 1048 G C 0.765 175.632 174.900 -0.054 0.000 0.975 1048 G CA 0.927 45.988 45.100 -0.065 0.000 0.642 1048 G HN 0.800 nan 8.290 nan 0.000 0.536 1049 K N -0.678 119.672 120.400 -0.083 0.000 2.731 1049 K HA 0.559 4.879 4.320 -0.000 0.000 0.284 1049 K C 1.860 178.462 176.600 0.004 0.000 1.027 1049 K CA -0.123 56.139 56.287 -0.042 0.000 1.040 1049 K CB 0.331 32.789 32.500 -0.070 0.000 1.334 1049 K HN -0.004 nan 8.250 nan 0.000 0.498 1050 V N 0.813 120.756 119.914 0.048 0.000 2.323 1050 V HA -0.109 4.011 4.120 -0.000 0.000 0.244 1050 V C 1.376 177.519 176.094 0.082 0.000 1.041 1050 V CA 1.221 63.563 62.300 0.071 0.000 1.025 1050 V CB -0.387 31.493 31.823 0.095 0.000 0.656 1050 V HN 0.485 nan 8.190 nan 0.000 0.451 1051 I N 2.492 123.138 120.570 0.126 0.000 2.472 1051 I HA 0.131 4.301 4.170 -0.000 0.000 0.305 1051 I C 0.386 176.592 176.117 0.148 0.000 1.196 1051 I CA 0.744 62.138 61.300 0.157 0.000 1.613 1051 I CB -0.745 37.400 38.000 0.241 0.000 1.501 1051 I HN 0.255 nan 8.210 nan 0.000 0.754 1052 R N 2.679 123.231 120.500 0.087 0.000 2.740 1052 R HA 0.245 4.585 4.340 -0.000 0.000 0.273 1052 R C -0.901 175.428 176.300 0.047 0.000 0.998 1052 R CA -1.182 54.958 56.100 0.066 0.000 0.900 1052 R CB 1.840 32.162 30.300 0.036 0.000 1.223 1052 R HN 0.277 nan 8.270 nan 0.000 0.466 1053 D N 0.381 120.805 120.400 0.039 0.000 2.658 1053 D HA 0.031 4.671 4.640 -0.000 0.000 0.230 1053 D C 1.222 177.535 176.300 0.023 0.000 1.118 1053 D CA 2.579 56.595 54.000 0.027 0.000 0.848 1053 D CB 0.401 41.213 40.800 0.021 0.000 1.160 1053 D HN 0.689 nan 8.370 nan 0.000 0.497 1054 G N 2.700 111.512 108.800 0.020 0.000 2.267 1054 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.257 1054 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.257 1054 G C 0.799 175.712 174.900 0.021 0.000 0.998 1054 G CA 0.903 46.014 45.100 0.018 0.000 0.620 1054 G HN 0.524 nan 8.290 nan 0.000 0.529 1055 M N -0.732 118.884 119.600 0.027 0.000 2.094 1055 M HA 0.470 4.950 4.480 -0.000 0.000 0.163 1055 M C 2.517 178.839 176.300 0.036 0.000 1.495 1055 M CA 1.019 56.337 55.300 0.031 0.000 1.481 1055 M CB -0.350 32.270 32.600 0.033 0.000 0.856 1055 M HN 0.122 nan 8.290 nan 0.000 0.650 1056 G N -0.172 108.656 108.800 0.046 0.000 2.598 1056 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.215 1056 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.215 1056 G C 0.467 175.395 174.900 0.046 0.000 1.131 1056 G CA 0.126 45.257 45.100 0.052 0.000 0.785 1056 G HN 0.466 nan 8.290 nan 0.000 0.539 1057 Q N 0.355 120.180 119.800 0.043 0.000 2.325 1057 Q HA 0.541 4.881 4.340 -0.000 0.000 0.262 1057 Q C 0.361 176.373 176.000 0.021 0.000 0.968 1057 Q CA -0.638 55.184 55.803 0.032 0.000 0.877 1057 Q CB 1.392 30.155 28.738 0.041 0.000 1.253 1057 Q HN 0.149 nan 8.270 nan 0.000 0.448 1058 G N 1.569 110.377 108.800 0.012 0.000 2.543 1058 G HA2 0.089 4.049 3.960 -0.000 0.000 0.290 1058 G HA3 0.089 4.049 3.960 -0.000 0.000 0.290 1058 G C 0.089 174.990 174.900 0.003 0.000 1.310 1058 G CA -0.248 44.856 45.100 0.008 0.000 1.025 1058 G HN 0.690 nan 8.290 nan 0.000 0.502 1059 Q N -0.099 119.702 119.800 0.002 0.000 2.220 1059 Q HA 0.083 4.423 4.340 -0.000 0.000 0.205 1059 Q C 1.034 177.032 176.000 -0.004 0.000 0.865 1059 Q CA -0.274 55.529 55.803 0.000 0.000 0.960 1059 Q CB 0.169 28.909 28.738 0.003 0.000 1.097 1059 Q HN 0.652 nan 8.270 nan 0.000 0.493 1060 M N -0.740 118.856 119.600 -0.007 0.000 2.226 1060 M HA 0.265 4.745 4.480 -0.000 0.000 0.324 1060 M C -0.004 176.286 176.300 -0.018 0.000 1.112 1060 M CA -0.105 55.188 55.300 -0.011 0.000 1.176 1060 M CB 0.265 32.857 32.600 -0.014 0.000 1.430 1060 M HN -0.095 nan 8.290 nan 0.000 0.462 1061 L N 2.013 123.226 121.223 -0.017 0.000 2.475 1061 L HA 0.269 4.609 4.340 -0.000 0.000 0.253 1061 L C 1.902 178.753 176.870 -0.031 0.000 1.198 1061 L CA -0.160 54.668 54.840 -0.020 0.000 0.814 1061 L CB 0.361 42.412 42.059 -0.014 0.000 1.134 1061 L HN 1.020 nan 8.230 nan 0.000 0.478 1062 A N 1.444 124.244 122.820 -0.033 0.000 1.917 1062 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 1062 A C 2.259 179.813 177.584 -0.051 0.000 1.182 1062 A CA 2.077 54.087 52.037 -0.045 0.000 0.633 1062 A CB -0.829 18.147 19.000 -0.039 0.000 0.819 1062 A HN 0.909 nan 8.150 nan 0.000 0.448 1063 A N -0.789 122.012 122.820 -0.032 0.000 2.070 1063 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 1063 A C 1.311 178.876 177.584 -0.031 0.000 1.159 1063 A CA 1.636 53.659 52.037 -0.023 0.000 0.656 1063 A CB -0.277 18.721 19.000 -0.005 0.000 0.800 1063 A HN 0.468 nan 8.150 nan 0.000 0.453 1064 D N -0.945 119.432 120.400 -0.039 0.000 2.388 1064 D HA 0.210 4.850 4.640 -0.000 0.000 0.221 1064 D C 0.087 176.336 176.300 -0.085 0.000 1.133 1064 D CA 0.539 54.515 54.000 -0.039 0.000 0.831 1064 D CB -0.078 40.715 40.800 -0.013 0.000 0.962 1064 D HN 0.588 nan 8.370 nan 0.000 0.502 1065 C N -1.144 118.074 119.300 -0.137 0.000 3.086 1065 C HA 0.714 5.174 4.460 -0.000 0.000 0.311 1065 C C 0.270 175.100 174.990 -0.268 0.000 1.260 1065 C CA -1.300 57.607 59.018 -0.185 0.000 1.426 1065 C CB 0.964 28.639 27.740 -0.109 0.000 1.826 1065 C HN 0.022 nan 8.230 nan 0.000 0.474 1066 V N 0.441 120.153 119.914 -0.337 0.000 2.811 1066 V HA 0.332 4.452 4.120 -0.000 0.000 0.302 1066 V C 0.739 176.731 176.094 -0.170 0.000 1.063 1066 V CA 0.639 62.740 62.300 -0.332 0.000 1.088 1066 V CB 0.584 32.218 31.823 -0.314 0.000 0.982 1066 V HN 0.913 nan 8.190 nan 0.000 0.485 1067 D N 1.465 121.790 120.400 -0.125 0.000 2.183 1067 D HA 0.116 4.756 4.640 -0.000 0.000 0.203 1067 D C 0.255 176.514 176.300 -0.067 0.000 0.969 1067 D CA 1.346 55.299 54.000 -0.080 0.000 0.842 1067 D CB 0.445 41.214 40.800 -0.051 0.000 0.957 1067 D HN 0.532 nan 8.370 nan 0.000 0.484 1068 L N -0.038 121.153 121.223 -0.054 0.000 2.445 1068 L HA 0.483 4.823 4.340 -0.000 0.000 0.262 1068 L C -1.677 175.180 176.870 -0.021 0.000 0.974 1068 L CA -0.862 53.954 54.840 -0.039 0.000 0.822 1068 L CB 2.647 44.697 42.059 -0.016 0.000 1.339 1068 L HN -0.279 nan 8.230 nan 0.000 0.409 1069 V N 5.543 125.445 119.914 -0.021 0.000 2.577 1069 V HA 0.603 4.723 4.120 -0.000 0.000 0.303 1069 V C -1.396 174.708 176.094 0.017 0.000 1.042 1069 V CA -0.435 61.870 62.300 0.008 0.000 0.872 1069 V CB 1.957 33.782 31.823 0.004 0.000 0.998 1069 V HN 0.715 nan 8.190 nan 0.000 0.423 1070 L N 6.704 127.955 121.223 0.047 0.000 2.264 1070 L HA 0.512 4.852 4.340 -0.000 0.000 0.287 1070 L C 0.730 177.644 176.870 0.074 0.000 1.039 1070 L CA 0.112 54.986 54.840 0.057 0.000 0.829 1070 L CB 1.677 43.779 42.059 0.072 0.000 1.211 1070 L HN 0.857 nan 8.230 nan 0.000 0.427 1071 T N -0.316 114.283 114.554 0.074 0.000 2.907 1071 T HA 0.211 4.561 4.350 -0.000 0.000 0.298 1071 T C 0.662 175.430 174.700 0.113 0.000 1.017 1071 T CA -0.711 61.447 62.100 0.096 0.000 1.118 1071 T CB 0.432 69.363 68.868 0.106 0.000 0.948 1071 T HN 0.607 nan 8.240 nan 0.000 0.531 1072 N N -0.030 118.747 118.700 0.128 0.000 2.707 1072 N HA -0.174 4.566 4.740 -0.000 0.000 0.253 1072 N C 0.072 175.663 175.510 0.135 0.000 0.998 1072 N CA 0.862 54.000 53.050 0.146 0.000 0.751 1072 N CB -1.675 36.924 38.487 0.188 0.000 0.920 1072 N HN 1.100 nan 8.380 nan 0.000 0.539 1073 A N 0.114 123.009 122.820 0.124 0.000 2.354 1073 A HA 0.520 4.840 4.320 -0.000 0.000 0.269 1073 A C 0.472 178.127 177.584 0.119 0.000 1.109 1073 A CA -0.534 51.576 52.037 0.122 0.000 0.800 1073 A CB 0.732 19.805 19.000 0.123 0.000 1.045 1073 A HN 0.317 nan 8.150 nan 0.000 0.489 1074 L N 4.279 125.568 121.223 0.110 0.000 2.287 1074 L HA 0.446 4.786 4.340 -0.000 0.000 0.280 1074 L C -0.414 176.494 176.870 0.065 0.000 1.055 1074 L CA -0.159 54.730 54.840 0.082 0.000 0.863 1074 L CB -0.300 41.797 42.059 0.064 0.000 1.245 1074 L HN 0.558 nan 8.230 nan 0.000 0.432 1075 I N 4.929 125.527 120.570 0.047 0.000 2.575 1075 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 1075 I C -0.340 175.713 176.117 -0.107 0.000 1.085 1075 I CA -0.421 60.879 61.300 -0.000 0.000 1.403 1075 I CB 1.175 39.170 38.000 -0.008 0.000 1.409 1075 I HN 0.236 nan 8.210 nan 0.000 0.557 1076 V N 5.336 125.188 119.914 -0.104 0.000 2.419 1076 V HA 0.408 4.528 4.120 -0.000 0.000 0.287 1076 V C -0.754 175.229 176.094 -0.186 0.000 1.017 1076 V CA -0.349 61.861 62.300 -0.149 0.000 0.844 1076 V CB 1.611 33.383 31.823 -0.084 0.000 1.011 1076 V HN 0.708 nan 8.190 nan 0.000 0.429 1077 D N 0.698 120.843 120.400 -0.425 0.000 2.596 1077 D HA 0.327 4.967 4.640 -0.000 0.000 0.262 1077 D C 0.850 176.881 176.300 -0.449 0.000 1.210 1077 D CA -0.397 53.302 54.000 -0.501 0.000 0.873 1077 D CB 1.510 41.736 40.800 -0.956 0.000 1.408 1077 D HN 0.695 nan 8.370 nan 0.000 0.441 1078 H N 0.017 118.982 119.070 -0.175 0.000 2.457 1078 H HA -0.082 4.474 4.556 -0.000 0.000 0.297 1078 H C 1.382 176.826 175.328 0.194 0.000 1.092 1078 H CA 1.910 57.993 56.048 0.059 0.000 1.309 1078 H CB -0.305 29.516 29.762 0.098 0.000 1.382 1078 H HN 0.525 nan 8.280 nan 0.000 0.535 1079 W N 0.243 121.354 121.300 -0.316 0.000 3.077 1079 W HA 0.591 5.251 4.660 -0.000 0.000 0.266 1079 W C -0.146 176.378 176.519 0.008 0.000 1.300 1079 W CA 0.117 57.403 57.345 -0.098 0.000 1.586 1079 W CB 0.234 29.541 29.460 -0.255 0.000 1.103 1079 W HN 0.409 nan 8.180 nan 0.000 0.652 1080 G N 1.033 109.628 108.800 -0.341 0.000 2.340 1080 G HA2 0.381 4.341 3.960 -0.000 0.000 0.298 1080 G HA3 0.381 4.341 3.960 -0.000 0.000 0.298 1080 G C -2.012 172.649 174.900 -0.398 0.000 1.498 1080 G CA -1.080 43.904 45.100 -0.194 0.000 0.847 1080 G HN 0.057 nan 8.290 nan 0.000 0.594 1081 I N 1.577 122.054 120.570 -0.155 0.000 2.502 1081 I HA 0.453 4.623 4.170 -0.000 0.000 0.276 1081 I C 0.217 176.315 176.117 -0.032 0.000 1.057 1081 I CA -0.941 60.284 61.300 -0.126 0.000 1.163 1081 I CB 1.283 39.236 38.000 -0.079 0.000 1.288 1081 I HN 0.549 nan 8.210 nan 0.000 0.479 1082 V N 2.114 122.018 119.914 -0.016 0.000 3.001 1082 V HA 0.668 4.788 4.120 -0.000 0.000 0.314 1082 V C -0.593 175.553 176.094 0.087 0.000 1.099 1082 V CA -1.047 61.299 62.300 0.077 0.000 0.989 1082 V CB 2.178 34.105 31.823 0.172 0.000 1.040 1082 V HN 0.518 nan 8.190 nan 0.000 0.434 1083 K N 2.119 122.580 120.400 0.102 0.000 2.234 1083 K HA 0.900 5.220 4.320 -0.000 0.000 0.277 1083 K C -0.442 176.226 176.600 0.114 0.000 1.038 1083 K CA 0.681 57.036 56.287 0.113 0.000 0.888 1083 K CB 0.821 33.399 32.500 0.130 0.000 1.091 1083 K HN 1.616 nan 8.250 nan 0.000 0.467 1084 A N 3.212 126.104 122.820 0.121 0.000 2.540 1084 A HA 0.438 4.758 4.320 -0.000 0.000 0.291 1084 A C -1.710 175.943 177.584 0.116 0.000 1.083 1084 A CA -0.944 51.161 52.037 0.113 0.000 0.650 1084 A CB 0.756 19.833 19.000 0.127 0.000 1.292 1084 A HN 0.654 nan 8.150 nan 0.000 0.435 1085 D N 0.347 120.809 120.400 0.104 0.000 2.225 1085 D HA 0.621 5.261 4.640 -0.000 0.000 0.249 1085 D C -0.626 175.743 176.300 0.115 0.000 1.052 1085 D CA 0.340 54.402 54.000 0.103 0.000 0.909 1085 D CB 1.417 42.270 40.800 0.088 0.000 1.186 1085 D HN 0.427 nan 8.370 nan 0.000 0.431 1086 I N 0.704 121.342 120.570 0.114 0.000 2.436 1086 I HA 0.396 4.566 4.170 -0.000 0.000 0.289 1086 I C 0.616 176.805 176.117 0.120 0.000 1.010 1086 I CA -0.771 60.606 61.300 0.128 0.000 1.098 1086 I CB 2.161 40.240 38.000 0.132 0.000 1.266 1086 I HN 0.203 nan 8.210 nan 0.000 0.434 1087 G N 5.327 114.223 108.800 0.160 0.000 2.372 1087 G HA2 0.632 4.592 3.960 -0.000 0.000 0.323 1087 G HA3 0.632 4.592 3.960 -0.000 0.000 0.323 1087 G C -1.052 173.958 174.900 0.184 0.000 1.152 1087 G CA -0.364 44.830 45.100 0.157 0.000 0.906 1087 G HN 0.332 nan 8.290 nan 0.000 0.460 1088 V N 2.145 122.118 119.914 0.098 0.000 2.487 1088 V HA 0.611 4.731 4.120 -0.000 0.000 0.298 1088 V C -0.105 176.016 176.094 0.045 0.000 1.028 1088 V CA -0.813 61.549 62.300 0.105 0.000 0.860 1088 V CB 1.812 33.680 31.823 0.076 0.000 0.991 1088 V HN 0.775 nan 8.190 nan 0.000 0.427 1089 K N 2.676 123.132 120.400 0.093 0.000 2.468 1089 K HA 0.380 4.700 4.320 -0.000 0.000 0.252 1089 K C -0.656 175.997 176.600 0.088 0.000 0.932 1089 K CA -0.538 55.772 56.287 0.038 0.000 0.794 1089 K CB 1.519 34.008 32.500 -0.019 0.000 1.241 1089 K HN 0.736 nan 8.250 nan 0.000 0.428 1090 D N 2.621 123.060 120.400 0.065 0.000 2.811 1090 D HA -0.200 4.440 4.640 -0.000 0.000 0.231 1090 D C 0.581 176.945 176.300 0.105 0.000 1.157 1090 D CA 1.800 55.855 54.000 0.091 0.000 0.716 1090 D CB -0.981 39.873 40.800 0.090 0.000 1.077 1090 D HN 1.094 nan 8.370 nan 0.000 0.428 1091 G N -0.539 108.320 108.800 0.099 0.000 2.179 1091 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.260 1091 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.260 1091 G C 0.386 175.334 174.900 0.080 0.000 0.977 1091 G CA 0.726 45.882 45.100 0.092 0.000 0.641 1091 G HN 0.532 nan 8.290 nan 0.000 0.533 1092 R N -0.898 119.659 120.500 0.095 0.000 2.892 1092 R HA 0.662 5.002 4.340 -0.000 0.000 0.265 1092 R C 0.072 176.451 176.300 0.132 0.000 1.025 1092 R CA -1.193 54.967 56.100 0.101 0.000 0.982 1092 R CB 1.286 31.642 30.300 0.092 0.000 1.185 1092 R HN 0.151 nan 8.270 nan 0.000 0.484 1093 I N 2.384 123.028 120.570 0.123 0.000 2.494 1093 I HA -0.056 4.114 4.170 -0.000 0.000 0.289 1093 I C 0.912 177.120 176.117 0.153 0.000 1.106 1093 I CA 0.285 61.669 61.300 0.139 0.000 1.369 1093 I CB 0.234 38.304 38.000 0.117 0.000 1.410 1093 I HN 0.597 nan 8.210 nan 0.000 0.523 1094 F N 6.946 126.920 119.950 0.040 0.000 2.147 1094 F HA 0.345 4.872 4.527 -0.000 0.000 0.291 1094 F C 1.052 176.866 175.800 0.023 0.000 1.093 1094 F CA 0.860 58.878 58.000 0.029 0.000 1.263 1094 F CB 0.320 39.336 39.000 0.027 0.000 1.036 1094 F HN 0.471 nan 8.300 nan 0.000 0.481 1095 A N -0.424 122.486 122.820 0.150 0.000 2.586 1095 A HA 0.589 4.909 4.320 -0.000 0.000 0.291 1095 A C -1.783 175.868 177.584 0.111 0.000 1.062 1095 A CA -0.578 51.477 52.037 0.031 0.000 0.666 1095 A CB 0.387 19.386 19.000 -0.001 0.000 1.281 1095 A HN 0.090 nan 8.150 nan 0.000 0.421 1096 I N 0.974 121.580 120.570 0.060 0.000 2.439 1096 I HA 0.681 4.851 4.170 -0.000 0.000 0.285 1096 I C 0.726 176.884 176.117 0.068 0.000 1.021 1096 I CA 0.715 62.071 61.300 0.093 0.000 1.091 1096 I CB 1.924 39.986 38.000 0.103 0.000 1.242 1096 I HN 1.237 nan 8.210 nan 0.000 0.439 1097 G N 4.963 113.813 108.800 0.084 0.000 2.623 1097 G HA2 0.198 4.158 3.960 -0.000 0.000 0.085 1097 G HA3 0.198 4.158 3.960 -0.000 0.000 0.085 1097 G C -1.470 173.466 174.900 0.060 0.000 1.116 1097 G CA -0.463 44.673 45.100 0.061 0.000 1.200 1097 G HN 0.307 nan 8.290 nan 0.000 0.556 1098 K N 1.245 121.675 120.400 0.051 0.000 2.483 1098 K HA 0.716 5.036 4.320 -0.000 0.000 0.256 1098 K C -0.238 176.394 176.600 0.052 0.000 0.961 1098 K CA -0.200 56.111 56.287 0.041 0.000 0.873 1098 K CB 1.112 33.622 32.500 0.016 0.000 1.107 1098 K HN 0.796 nan 8.250 nan 0.000 0.432 1099 A N 2.374 125.228 122.820 0.057 0.000 2.286 1099 A HA 0.841 5.161 4.320 -0.000 0.000 0.286 1099 A C 0.363 177.974 177.584 0.046 0.000 1.097 1099 A CA 0.448 52.518 52.037 0.055 0.000 0.821 1099 A CB 0.740 19.773 19.000 0.056 0.000 1.076 1099 A HN 0.894 nan 8.150 nan 0.000 0.490 1100 G N 0.035 108.858 108.800 0.039 0.000 2.350 1100 G HA2 0.306 4.266 3.960 -0.000 0.000 0.276 1100 G HA3 0.306 4.266 3.960 -0.000 0.000 0.276 1100 G C -1.525 173.393 174.900 0.028 0.000 1.313 1100 G CA -0.284 44.838 45.100 0.037 0.000 0.903 1100 G HN 1.110 nan 8.290 nan 0.000 0.490 1101 N N 0.700 119.416 118.700 0.028 0.000 2.476 1101 N HA 0.608 5.348 4.740 -0.000 0.000 0.257 1101 N C -1.630 173.893 175.510 0.022 0.000 0.970 1101 N CA -2.326 50.738 53.050 0.022 0.000 0.938 1101 N CB 2.441 40.942 38.487 0.023 0.000 1.144 1101 N HN 0.026 nan 8.380 nan 0.000 0.500 1102 P HA -0.054 nan 4.420 nan 0.000 0.223 1102 P C 0.210 177.520 177.300 0.017 0.000 1.144 1102 P CA 0.872 63.984 63.100 0.020 0.000 0.783 1102 P CB 0.420 32.133 31.700 0.021 0.000 0.771 1103 D N -0.840 119.570 120.400 0.016 0.000 2.144 1103 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 1103 D C 1.666 177.976 176.300 0.015 0.000 0.978 1103 D CA 1.180 55.188 54.000 0.015 0.000 0.833 1103 D CB -0.122 40.686 40.800 0.014 0.000 0.961 1103 D HN 0.348 nan 8.370 nan 0.000 0.470 1104 I N -3.721 116.859 120.570 0.018 0.000 4.526 1104 I HA 0.236 4.406 4.170 -0.000 0.000 0.330 1104 I C 0.009 176.138 176.117 0.019 0.000 1.323 1104 I CA -0.411 60.900 61.300 0.018 0.000 1.218 1104 I CB 0.362 38.373 38.000 0.020 0.000 1.233 1104 I HN -0.319 nan 8.210 nan 0.000 0.430 1105 Q N 3.675 123.487 119.800 0.020 0.000 2.266 1105 Q HA 0.551 4.891 4.340 -0.000 0.000 0.261 1105 Q C -2.538 173.472 176.000 0.016 0.000 0.985 1105 Q CA -1.976 53.839 55.803 0.020 0.000 0.873 1105 Q CB 2.075 30.827 28.738 0.023 0.000 1.306 1105 Q HN 0.108 nan 8.270 nan 0.000 0.447 1106 P HA 0.167 nan 4.420 nan 0.000 0.285 1106 P C -1.020 176.284 177.300 0.006 0.000 1.269 1106 P CA -0.318 62.788 63.100 0.009 0.000 0.844 1106 P CB 0.738 32.442 31.700 0.006 0.000 1.094 1107 N N -1.905 116.798 118.700 0.006 0.000 2.693 1107 N HA -0.131 4.609 4.740 -0.000 0.000 0.249 1107 N C -0.353 175.165 175.510 0.013 0.000 1.119 1107 N CA 0.092 53.145 53.050 0.005 0.000 0.717 1107 N CB -1.636 36.847 38.487 -0.008 0.000 1.071 1107 N HN 0.157 nan 8.380 nan 0.000 0.555 1108 V N 0.919 120.846 119.914 0.021 0.000 2.470 1108 V HA 0.121 4.241 4.120 -0.000 0.000 0.276 1108 V C 1.667 177.788 176.094 0.046 0.000 1.040 1108 V CA 1.022 63.342 62.300 0.033 0.000 1.008 1108 V CB 1.173 33.015 31.823 0.032 0.000 0.990 1108 V HN 0.482 nan 8.190 nan 0.000 0.477 1109 T N 1.606 116.196 114.554 0.061 0.000 2.971 1109 T HA 0.390 4.740 4.350 -0.000 0.000 0.252 1109 T C 0.334 175.126 174.700 0.154 0.000 1.022 1109 T CA 0.162 62.314 62.100 0.086 0.000 0.980 1109 T CB 0.185 69.090 68.868 0.061 0.000 1.044 1109 T HN 0.346 nan 8.240 nan 0.000 0.501 1110 I N 4.052 124.699 120.570 0.129 0.000 2.437 1110 I HA 0.363 4.533 4.170 -0.000 0.000 0.279 1110 I C -2.703 173.446 176.117 0.052 0.000 1.028 1110 I CA -2.729 58.656 61.300 0.141 0.000 1.142 1110 I CB 1.970 40.052 38.000 0.136 0.000 1.266 1110 I HN -0.068 nan 8.210 nan 0.000 0.461 1111 P HA 0.240 nan 4.420 nan 0.000 0.276 1111 P C -0.562 176.708 177.300 -0.051 0.000 1.243 1111 P CA 0.131 63.220 63.100 -0.019 0.000 0.768 1111 P CB 1.192 32.876 31.700 -0.026 0.000 0.856 1112 I N 2.818 123.375 120.570 -0.023 0.000 2.354 1112 I HA 0.522 4.692 4.170 -0.000 0.000 0.292 1112 I C 1.077 177.180 176.117 -0.023 0.000 0.989 1112 I CA -0.155 61.129 61.300 -0.027 0.000 1.188 1112 I CB 1.792 39.791 38.000 -0.001 0.000 1.342 1112 I HN 0.420 nan 8.210 nan 0.000 0.457 1113 G N 2.962 111.740 108.800 -0.037 0.000 3.176 1113 G HA2 0.553 4.513 3.960 -0.000 0.000 0.272 1113 G HA3 0.553 4.513 3.960 -0.000 0.000 0.272 1113 G C 0.563 175.447 174.900 -0.027 0.000 1.349 1113 G CA 0.040 45.123 45.100 -0.028 0.000 0.953 1113 G HN 0.597 nan 8.290 nan 0.000 0.559 1114 A N -0.813 121.994 122.820 -0.023 0.000 1.972 1114 A HA 0.281 4.601 4.320 -0.000 0.000 0.219 1114 A C 2.315 179.878 177.584 -0.035 0.000 1.169 1114 A CA 2.437 54.461 52.037 -0.021 0.000 0.635 1114 A CB -0.595 18.395 19.000 -0.017 0.000 0.810 1114 A HN 1.471 nan 8.150 nan 0.000 0.446 1115 A N -0.716 122.077 122.820 -0.045 0.000 2.278 1115 A HA 0.336 4.655 4.320 -0.000 0.000 0.212 1115 A C 0.712 178.256 177.584 -0.068 0.000 1.213 1115 A CA 0.521 52.525 52.037 -0.055 0.000 0.840 1115 A CB -0.522 18.444 19.000 -0.056 0.000 0.866 1115 A HN 0.259 nan 8.150 nan 0.000 0.489 1116 T N 1.091 115.603 114.554 -0.068 0.000 2.733 1116 T HA 0.399 4.749 4.350 -0.000 0.000 0.294 1116 T C -0.233 174.406 174.700 -0.102 0.000 0.956 1116 T CA -0.298 61.754 62.100 -0.081 0.000 0.987 1116 T CB 1.309 70.134 68.868 -0.072 0.000 0.920 1116 T HN 0.469 nan 8.240 nan 0.000 0.470 1117 E N 2.657 122.792 120.200 -0.109 0.000 2.319 1117 E HA 0.483 4.833 4.350 -0.000 0.000 0.268 1117 E C -1.108 175.394 176.600 -0.163 0.000 1.050 1117 E CA -0.588 55.725 56.400 -0.145 0.000 0.878 1117 E CB 0.827 30.459 29.700 -0.114 0.000 1.066 1117 E HN 0.315 nan 8.360 nan 0.000 0.406 1118 V N 4.807 124.569 119.914 -0.253 0.000 2.588 1118 V HA 0.435 4.555 4.120 -0.000 0.000 0.304 1118 V C -0.282 175.701 176.094 -0.185 0.000 1.042 1118 V CA -0.657 61.500 62.300 -0.237 0.000 0.877 1118 V CB 1.578 33.169 31.823 -0.387 0.000 0.996 1118 V HN 0.662 nan 8.190 nan 0.000 0.425 1119 I N 3.763 124.283 120.570 -0.083 0.000 2.411 1119 I HA 0.549 4.719 4.170 -0.000 0.000 0.284 1119 I C 0.504 176.625 176.117 0.008 0.000 1.012 1119 I CA -0.610 60.669 61.300 -0.035 0.000 1.119 1119 I CB 1.760 39.752 38.000 -0.013 0.000 1.261 1119 I HN 0.719 nan 8.210 nan 0.000 0.448 1120 A N 5.061 127.898 122.820 0.029 0.000 2.438 1120 A HA 0.546 4.866 4.320 -0.000 0.000 0.280 1120 A C 0.808 178.429 177.584 0.061 0.000 1.160 1120 A CA 0.034 52.109 52.037 0.063 0.000 0.821 1120 A CB 0.277 19.328 19.000 0.084 0.000 1.101 1120 A HN 0.889 nan 8.150 nan 0.000 0.515 1121 A N 2.950 125.815 122.820 0.075 0.000 2.503 1121 A HA 0.294 4.614 4.320 -0.000 0.000 0.263 1121 A C 0.626 178.266 177.584 0.095 0.000 1.258 1121 A CA -0.252 51.836 52.037 0.084 0.000 0.936 1121 A CB -0.074 18.981 19.000 0.092 0.000 1.070 1121 A HN 0.829 nan 8.150 nan 0.000 0.522 1122 E N 0.149 120.402 120.200 0.089 0.000 2.366 1122 E HA 0.324 4.674 4.350 -0.000 0.000 0.266 1122 E C 0.795 177.439 176.600 0.073 0.000 1.015 1122 E CA 0.481 56.935 56.400 0.090 0.000 0.906 1122 E CB 0.253 29.993 29.700 0.066 0.000 0.979 1122 E HN 0.956 nan 8.360 nan 0.000 0.443 1123 G N 2.816 111.668 108.800 0.088 0.000 2.157 1123 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.248 1123 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.248 1123 G C -0.103 174.855 174.900 0.096 0.000 0.979 1123 G CA 0.244 45.392 45.100 0.080 0.000 0.650 1123 G HN 0.472 nan 8.290 nan 0.000 0.529 1124 K N -0.183 120.283 120.400 0.111 0.000 2.328 1124 K HA 0.724 5.044 4.320 -0.000 0.000 0.246 1124 K C -0.036 176.658 176.600 0.158 0.000 0.955 1124 K CA -0.900 55.473 56.287 0.143 0.000 0.817 1124 K CB 2.073 34.655 32.500 0.137 0.000 1.208 1124 K HN 0.196 nan 8.250 nan 0.000 0.432 1125 I N 1.712 122.416 120.570 0.224 0.000 2.359 1125 I HA 0.247 4.417 4.170 -0.000 0.000 0.294 1125 I C -0.393 175.947 176.117 0.372 0.000 0.987 1125 I CA -1.051 60.391 61.300 0.237 0.000 1.225 1125 I CB 1.666 39.778 38.000 0.187 0.000 1.366 1125 I HN 0.003 nan 8.210 nan 0.000 0.466 1126 V N 5.095 125.177 119.914 0.280 0.000 2.495 1126 V HA 0.570 4.690 4.120 -0.000 0.000 0.298 1126 V C 0.158 176.434 176.094 0.302 0.000 1.031 1126 V CA -0.367 62.103 62.300 0.284 0.000 0.871 1126 V CB 1.864 33.797 31.823 0.182 0.000 0.988 1126 V HN 0.900 nan 8.190 nan 0.000 0.432 1127 T N 1.677 116.463 114.554 0.386 0.000 2.887 1127 T HA 0.869 5.219 4.350 -0.000 0.000 0.292 1127 T C -0.140 174.736 174.700 0.294 0.000 1.087 1127 T CA -0.396 61.922 62.100 0.363 0.000 1.009 1127 T CB 1.966 71.169 68.868 0.558 0.000 1.203 1127 T HN 0.975 nan 8.240 nan 0.000 0.518 1128 A N 0.399 123.370 122.820 0.251 0.000 2.332 1128 A HA 0.709 5.029 4.320 -0.000 0.000 0.258 1128 A C 0.962 178.698 177.584 0.253 0.000 1.087 1128 A CA -0.166 52.002 52.037 0.219 0.000 0.802 1128 A CB -0.560 18.556 19.000 0.194 0.000 1.042 1128 A HN 1.375 nan 8.150 nan 0.000 0.489 1129 G N -0.067 108.857 108.800 0.207 0.000 2.491 1129 G HA2 0.470 4.430 3.960 -0.000 0.000 0.242 1129 G HA3 0.470 4.430 3.960 -0.000 0.000 0.242 1129 G C 0.547 175.602 174.900 0.258 0.000 1.266 1129 G CA 0.209 45.436 45.100 0.211 0.000 0.844 1129 G HN 1.136 nan 8.290 nan 0.000 0.571 1130 G N -0.608 108.378 108.800 0.309 0.000 2.606 1130 G HA2 0.468 4.428 3.960 -0.000 0.000 0.252 1130 G HA3 0.468 4.428 3.960 -0.000 0.000 0.252 1130 G C -0.328 174.712 174.900 0.234 0.000 1.206 1130 G CA -0.557 44.768 45.100 0.375 0.000 0.861 1130 G HN 0.640 nan 8.290 nan 0.000 0.561 1131 I N 0.862 121.566 120.570 0.223 0.000 2.468 1131 I HA 0.180 4.350 4.170 -0.000 0.000 0.285 1131 I C -1.310 174.876 176.117 0.115 0.000 1.039 1131 I CA -0.717 60.669 61.300 0.142 0.000 1.074 1131 I CB 2.173 40.241 38.000 0.114 0.000 1.228 1131 I HN 0.300 nan 8.210 nan 0.000 0.436 1132 D N 4.462 124.905 120.400 0.071 0.000 2.329 1132 D HA 0.225 4.865 4.640 -0.000 0.000 0.232 1132 D C 0.852 177.157 176.300 0.008 0.000 1.088 1132 D CA -0.182 53.837 54.000 0.032 0.000 0.835 1132 D CB 1.601 42.392 40.800 -0.014 0.000 1.078 1132 D HN 0.623 nan 8.370 nan 0.000 0.495 1133 T N 0.229 114.804 114.554 0.036 0.000 3.145 1133 T HA 0.115 4.465 4.350 -0.000 0.000 0.255 1133 T C 0.546 175.249 174.700 0.005 0.000 1.039 1133 T CA -0.105 62.000 62.100 0.008 0.000 0.928 1133 T CB -0.423 68.504 68.868 0.099 0.000 1.029 1133 T HN 0.485 nan 8.240 nan 0.000 0.554 1134 H N 0.691 119.628 119.070 -0.221 0.000 2.380 1134 H HA 0.468 5.024 4.556 -0.000 0.000 0.231 1134 H C -1.055 174.109 175.328 -0.273 0.000 1.415 1134 H CA -0.983 54.803 56.048 -0.437 0.000 1.433 1134 H CB -0.054 29.272 29.762 -0.728 0.000 1.544 1134 H HN 0.169 nan 8.280 nan 0.000 0.503 1135 I N 2.895 123.391 120.570 -0.123 0.000 2.354 1135 I HA 0.148 4.318 4.170 -0.000 0.000 0.292 1135 I C 0.102 175.996 176.117 -0.372 0.000 0.989 1135 I CA -0.384 60.715 61.300 -0.335 0.000 1.188 1135 I CB 1.243 38.795 38.000 -0.746 0.000 1.342 1135 I HN 0.615 nan 8.210 nan 0.000 0.457 1136 H N 5.626 124.523 119.070 -0.289 0.000 2.641 1136 H HA 0.124 4.680 4.556 -0.000 0.000 0.295 1136 H C -0.751 174.472 175.328 -0.174 0.000 1.070 1136 H CA -0.357 55.611 56.048 -0.134 0.000 1.257 1136 H CB 0.622 30.376 29.762 -0.014 0.000 1.393 1136 H HN 0.544 nan 8.280 nan 0.000 0.464 1137 W N 5.409 126.773 121.300 0.107 0.000 1.539 1137 W HA 0.113 4.773 4.660 -0.000 0.000 0.502 1137 W C 0.965 177.523 176.519 0.066 0.000 0.689 1137 W CA -0.284 57.104 57.345 0.071 0.000 2.088 1137 W CB -0.334 29.148 29.460 0.036 0.000 1.686 1137 W HN 0.635 nan 8.180 nan 0.000 0.211 1138 I N 1.382 122.102 120.570 0.251 0.000 2.716 1138 I HA -0.044 4.126 4.170 -0.000 0.000 0.259 1138 I C 0.991 177.215 176.117 0.178 0.000 1.172 1138 I CA 0.574 61.989 61.300 0.193 0.000 1.478 1138 I CB -0.076 38.039 38.000 0.192 0.000 1.104 1138 I HN 0.253 nan 8.210 nan 0.000 0.439 1139 C N -2.131 117.292 119.300 0.205 0.000 3.181 1139 C HA 0.341 4.801 4.460 -0.000 0.000 0.362 1139 C C -1.953 173.170 174.990 0.221 0.000 1.125 1139 C CA -1.348 57.772 59.018 0.171 0.000 1.265 1139 C CB 1.182 28.991 27.740 0.116 0.000 1.632 1139 C HN -0.059 nan 8.230 nan 0.000 0.525 1140 P HA -0.132 nan 4.420 nan 0.000 0.220 1140 P C 1.155 178.551 177.300 0.160 0.000 1.148 1140 P CA 1.723 64.923 63.100 0.166 0.000 0.803 1140 P CB 0.226 31.971 31.700 0.075 0.000 0.782 1141 Q N 0.233 120.103 119.800 0.116 0.000 2.297 1141 Q HA -0.160 4.180 4.340 -0.000 0.000 0.208 1141 Q C 2.372 178.426 176.000 0.091 0.000 0.981 1141 Q CA 1.392 57.246 55.803 0.085 0.000 0.876 1141 Q CB -0.965 27.807 28.738 0.057 0.000 0.921 1141 Q HN 0.466 nan 8.270 nan 0.000 0.446 1142 Q N -0.587 119.285 119.800 0.120 0.000 2.234 1142 Q HA -0.133 4.207 4.340 -0.000 0.000 0.206 1142 Q C 1.975 178.038 176.000 0.104 0.000 0.980 1142 Q CA 1.142 56.995 55.803 0.083 0.000 0.869 1142 Q CB -0.207 28.562 28.738 0.050 0.000 0.912 1142 Q HN 0.488 nan 8.270 nan 0.000 0.436 1143 A N 1.174 124.113 122.820 0.198 0.000 1.877 1143 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 1143 A C 1.901 179.547 177.584 0.103 0.000 1.186 1143 A CA 1.629 53.786 52.037 0.200 0.000 0.620 1143 A CB -0.452 18.690 19.000 0.236 0.000 0.822 1143 A HN 0.411 nan 8.150 nan 0.000 0.443 1144 E N -0.700 119.546 120.200 0.075 0.000 2.072 1144 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 1144 E C 1.965 178.571 176.600 0.009 0.000 0.985 1144 E CA 1.228 57.652 56.400 0.040 0.000 0.801 1144 E CB -0.081 29.642 29.700 0.039 0.000 0.750 1144 E HN 0.569 nan 8.360 nan 0.000 0.452 1145 E N 0.386 120.592 120.200 0.009 0.000 2.058 1145 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 1145 E C 1.727 178.305 176.600 -0.037 0.000 0.997 1145 E CA 1.589 57.976 56.400 -0.022 0.000 0.801 1145 E CB -0.285 29.404 29.700 -0.017 0.000 0.746 1145 E HN 0.349 nan 8.360 nan 0.000 0.450 1146 A N 0.100 122.912 122.820 -0.013 0.000 1.898 1146 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 1146 A C 2.164 179.741 177.584 -0.010 0.000 1.181 1146 A CA 1.337 53.365 52.037 -0.014 0.000 0.620 1146 A CB -0.741 18.261 19.000 0.003 0.000 0.819 1146 A HN 0.358 nan 8.150 nan 0.000 0.442 1147 L N 0.068 121.292 121.223 0.002 0.000 2.042 1147 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 1147 L C 2.392 179.226 176.870 -0.061 0.000 1.076 1147 L CA 1.897 56.735 54.840 -0.003 0.000 0.749 1147 L CB -0.546 41.523 42.059 0.017 0.000 0.893 1147 L HN 0.161 nan 8.230 nan 0.000 0.432 1148 V N -0.316 119.530 119.914 -0.114 0.000 2.392 1148 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 1148 V C 2.656 178.583 176.094 -0.278 0.000 1.059 1148 V CA 1.771 63.900 62.300 -0.286 0.000 1.051 1148 V CB -0.946 30.634 31.823 -0.405 0.000 0.658 1148 V HN 0.769 nan 8.190 nan 0.000 0.455 1149 S N -0.360 115.259 115.700 -0.135 0.000 2.489 1149 S HA 0.201 4.671 4.470 -0.000 0.000 0.228 1149 S C 1.586 176.212 174.600 0.043 0.000 0.995 1149 S CA 0.927 59.107 58.200 -0.034 0.000 0.934 1149 S CB 0.541 63.731 63.200 -0.016 0.000 0.771 1149 S HN 1.189 nan 8.310 nan 0.000 0.522 1150 G N -0.147 108.641 108.800 -0.021 0.000 2.159 1150 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.170 1150 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.170 1150 G C -0.171 174.789 174.900 0.100 0.000 1.007 1150 G CA -0.213 44.899 45.100 0.020 0.000 0.672 1150 G HN 0.597 nan 8.290 nan 0.000 0.507 1151 V N 2.418 122.371 119.914 0.065 0.000 2.385 1151 V HA 0.491 4.611 4.120 -0.000 0.000 0.269 1151 V C 1.548 177.696 176.094 0.090 0.000 1.043 1151 V CA 0.766 63.119 62.300 0.088 0.000 0.906 1151 V CB 1.048 32.900 31.823 0.048 0.000 0.995 1151 V HN 0.576 nan 8.190 nan 0.000 0.467 1152 T N 0.123 114.748 114.554 0.118 0.000 3.044 1152 T HA 0.111 4.461 4.350 -0.000 0.000 0.250 1152 T C 0.685 175.470 174.700 0.143 0.000 1.081 1152 T CA 0.053 62.223 62.100 0.115 0.000 1.040 1152 T CB 0.209 69.144 68.868 0.112 0.000 0.962 1152 T HN 0.535 nan 8.240 nan 0.000 0.506 1153 T N 2.262 116.910 114.554 0.155 0.000 2.848 1153 T HA 0.677 5.027 4.350 -0.000 0.000 0.285 1153 T C -0.992 173.805 174.700 0.161 0.000 0.995 1153 T CA -0.575 61.638 62.100 0.189 0.000 0.970 1153 T CB 1.746 70.732 68.868 0.197 0.000 0.976 1153 T HN 0.185 nan 8.240 nan 0.000 0.441 1154 M N 3.131 122.858 119.600 0.213 0.000 2.197 1154 M HA 0.553 5.033 4.480 -0.000 0.000 0.301 1154 M C -1.157 175.285 176.300 0.237 0.000 0.987 1154 M CA -0.843 54.566 55.300 0.182 0.000 0.921 1154 M CB 2.227 34.966 32.600 0.232 0.000 1.569 1154 M HN 0.240 nan 8.290 nan 0.000 0.431 1155 V N 2.478 122.442 119.914 0.083 0.000 2.448 1155 V HA 1.009 5.129 4.120 -0.000 0.000 0.295 1155 V C 0.212 176.316 176.094 0.017 0.000 1.025 1155 V CA -0.258 62.080 62.300 0.064 0.000 0.859 1155 V CB 1.568 33.301 31.823 -0.149 0.000 0.988 1155 V HN 1.069 nan 8.190 nan 0.000 0.431 1156 G N 2.830 111.715 108.800 0.141 0.000 2.348 1156 G HA2 0.681 4.641 3.960 -0.000 0.000 0.296 1156 G HA3 0.681 4.641 3.960 -0.000 0.000 0.296 1156 G C -0.681 174.354 174.900 0.226 0.000 1.258 1156 G CA 0.101 45.218 45.100 0.028 0.000 0.868 1156 G HN 1.094 nan 8.290 nan 0.000 0.488 1157 G N -2.014 106.869 108.800 0.140 0.000 2.690 1157 G HA2 0.999 4.959 3.960 -0.000 0.000 0.293 1157 G HA3 0.999 4.959 3.960 -0.000 0.000 0.293 1157 G C -0.264 174.792 174.900 0.260 0.000 1.399 1157 G CA 0.212 45.473 45.100 0.268 0.000 0.890 1157 G HN 2.194 nan 8.290 nan 0.000 0.485 1158 G N -1.607 107.347 108.800 0.257 0.000 2.350 1158 G HA2 0.525 4.485 3.960 -0.000 0.000 0.304 1158 G HA3 0.525 4.485 3.960 -0.000 0.000 0.304 1158 G C 0.126 175.080 174.900 0.090 0.000 1.421 1158 G CA 0.946 46.154 45.100 0.180 0.000 0.934 1158 G HN 1.659 nan 8.290 nan 0.000 0.632 1159 T N -2.857 111.681 114.554 -0.026 0.000 3.058 1159 T HA 0.637 4.987 4.350 -0.000 0.000 0.278 1159 T C 1.244 175.927 174.700 -0.029 0.000 0.974 1159 T CA 1.207 63.233 62.100 -0.123 0.000 0.893 1159 T CB 0.632 69.168 68.868 -0.553 0.000 1.138 1159 T HN 2.674 nan 8.240 nan 0.000 0.529 1160 G N 2.373 111.183 108.800 0.017 0.000 2.293 1160 G HA2 0.196 4.155 3.960 -0.000 0.000 0.282 1160 G HA3 0.196 4.155 3.960 -0.000 0.000 0.282 1160 G C -2.913 171.973 174.900 -0.023 0.000 1.299 1160 G CA -0.394 44.731 45.100 0.040 0.000 1.018 1160 G HN 0.016 nan 8.290 nan 0.000 0.478 1161 P HA 0.464 nan 4.420 nan 0.000 0.225 1161 P C 0.124 177.231 177.300 -0.322 0.000 1.768 1161 P CA 0.970 64.033 63.100 -0.063 0.000 0.943 1161 P CB 0.016 31.807 31.700 0.151 0.000 1.936 1162 A N 0.867 123.415 122.820 -0.454 0.000 2.306 1162 A HA 0.633 4.953 4.320 -0.000 0.000 0.330 1162 A C 1.638 178.925 177.584 -0.495 0.000 1.146 1162 A CA -0.142 51.697 52.037 -0.331 0.000 0.827 1162 A CB 0.989 19.890 19.000 -0.166 0.000 1.178 1162 A HN 0.214 nan 8.150 nan 0.000 0.490 1163 A N 1.643 124.355 122.820 -0.181 0.000 1.903 1163 A HA -0.051 4.268 4.320 -0.000 0.000 0.219 1163 A C 2.203 179.739 177.584 -0.079 0.000 1.191 1163 A CA 2.743 54.757 52.037 -0.038 0.000 0.638 1163 A CB -1.380 17.621 19.000 0.002 0.000 0.823 1163 A HN 1.569 nan 8.150 nan 0.000 0.451 1164 G N -1.679 107.088 108.800 -0.055 0.000 2.440 1164 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 1164 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 1164 G C 1.560 176.492 174.900 0.053 0.000 1.154 1164 G CA 1.668 46.779 45.100 0.019 0.000 0.767 1164 G HN 0.458 nan 8.290 nan 0.000 0.552 1165 T N 0.101 114.654 114.554 -0.001 0.000 2.857 1165 T HA -0.027 4.323 4.350 -0.000 0.000 0.266 1165 T C 2.114 176.916 174.700 0.170 0.000 1.048 1165 T CA 1.004 63.139 62.100 0.058 0.000 1.139 1165 T CB -0.286 68.576 68.868 -0.010 0.000 0.874 1165 T HN 0.300 nan 8.240 nan 0.000 0.455 1166 H N 1.174 120.291 119.070 0.079 0.000 2.387 1166 H HA 0.083 4.639 4.556 -0.000 0.000 0.299 1166 H C 2.382 177.700 175.328 -0.017 0.000 1.099 1166 H CA 1.351 57.408 56.048 0.016 0.000 1.315 1166 H CB -0.434 29.310 29.762 -0.030 0.000 1.380 1166 H HN 0.428 nan 8.280 nan 0.000 0.513 1167 A N 0.104 122.986 122.820 0.103 0.000 1.997 1167 A HA 0.089 4.409 4.320 -0.000 0.000 0.212 1167 A C 1.355 178.928 177.584 -0.018 0.000 1.178 1167 A CA 1.015 53.035 52.037 -0.028 0.000 0.698 1167 A CB 0.079 18.954 19.000 -0.208 0.000 0.842 1167 A HN 0.456 nan 8.150 nan 0.000 0.458 1168 T N -3.001 111.569 114.554 0.026 0.000 2.906 1168 T HA 0.462 4.812 4.350 -0.000 0.000 0.295 1168 T C -0.180 174.475 174.700 -0.076 0.000 1.075 1168 T CA 0.219 62.299 62.100 -0.033 0.000 1.005 1168 T CB 1.362 70.154 68.868 -0.126 0.000 1.136 1168 T HN 0.280 nan 8.240 nan 0.000 0.498 1169 T N 0.041 114.477 114.554 -0.197 0.000 3.783 1169 T HA 0.482 4.832 4.350 -0.000 0.000 0.262 1169 T C -0.006 174.687 174.700 -0.012 0.000 1.381 1169 T CA -0.685 61.249 62.100 -0.277 0.000 1.155 1169 T CB -1.852 66.872 68.868 -0.240 0.000 1.256 1169 T HN 0.706 nan 8.240 nan 0.000 0.807 1170 C N 1.688 121.017 119.300 0.049 0.000 2.441 1170 C HA 0.630 5.089 4.460 -0.000 0.000 0.318 1170 C C 0.547 175.559 174.990 0.036 0.000 1.222 1170 C CA -0.839 58.209 59.018 0.049 0.000 1.474 1170 C CB 1.297 29.055 27.740 0.030 0.000 2.125 1170 C HN 0.658 nan 8.230 nan 0.000 0.479 1171 T N 4.358 118.930 114.554 0.030 0.000 3.029 1171 T HA 0.284 4.634 4.350 -0.000 0.000 0.346 1171 T C -2.673 172.039 174.700 0.020 0.000 1.211 1171 T CA -0.757 61.364 62.100 0.035 0.000 1.009 1171 T CB 0.211 69.124 68.868 0.075 0.000 1.084 1171 T HN 0.426 nan 8.240 nan 0.000 0.536 1172 P HA 0.320 nan 4.420 nan 0.000 0.265 1172 P C 0.770 178.139 177.300 0.115 0.000 1.222 1172 P CA 0.792 63.878 63.100 -0.024 0.000 0.767 1172 P CB 0.113 31.768 31.700 -0.074 0.000 0.801 1173 G N 5.300 114.131 108.800 0.051 0.000 2.856 1173 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.674 1173 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.674 1173 G C -1.954 173.019 174.900 0.122 0.000 1.519 1173 G CA -0.803 44.347 45.100 0.082 0.000 0.940 1173 G HN 0.261 nan 8.290 nan 0.000 0.564 1174 P HA -0.163 nan 4.420 nan 0.000 0.215 1174 P C 1.698 179.061 177.300 0.104 0.000 1.163 1174 P CA 2.310 65.459 63.100 0.081 0.000 0.894 1174 P CB -0.037 31.703 31.700 0.067 0.000 0.791 1175 W N -1.130 120.136 121.300 -0.056 0.000 2.333 1175 W HA -0.213 4.447 4.660 -0.000 0.000 0.316 1175 W C 2.348 178.794 176.519 -0.122 0.000 1.215 1175 W CA 1.532 58.801 57.345 -0.126 0.000 1.278 1175 W CB -1.125 28.201 29.460 -0.223 0.000 1.154 1175 W HN -0.047 nan 8.180 nan 0.000 0.486 1176 Y N -0.162 120.305 120.300 0.278 0.000 2.200 1176 Y HA -0.238 4.312 4.550 -0.000 0.000 0.290 1176 Y C 2.427 178.299 175.900 -0.046 0.000 1.137 1176 Y CA 1.640 59.810 58.100 0.117 0.000 1.163 1176 Y CB -0.503 38.067 38.460 0.183 0.000 0.988 1176 Y HN -0.120 nan 8.280 nan 0.000 0.518 1177 I N -0.868 119.785 120.570 0.138 0.000 2.163 1177 I HA -0.377 3.793 4.170 -0.000 0.000 0.243 1177 I C 2.327 178.415 176.117 -0.047 0.000 1.085 1177 I CA 1.481 62.806 61.300 0.041 0.000 1.347 1177 I CB -0.481 37.543 38.000 0.040 0.000 1.044 1177 I HN 0.118 nan 8.210 nan 0.000 0.408 1178 S N 0.308 115.944 115.700 -0.107 0.000 2.359 1178 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 1178 S C 2.076 176.532 174.600 -0.241 0.000 1.035 1178 S CA 1.337 59.430 58.200 -0.179 0.000 1.018 1178 S CB -0.316 62.744 63.200 -0.233 0.000 0.876 1178 S HN 0.275 nan 8.310 nan 0.000 0.448 1179 R N 0.940 121.227 120.500 -0.356 0.000 2.091 1179 R HA 0.101 4.441 4.340 -0.000 0.000 0.238 1179 R C 2.318 178.501 176.300 -0.195 0.000 1.136 1179 R CA 1.343 57.230 56.100 -0.355 0.000 0.959 1179 R CB -0.404 29.593 30.300 -0.504 0.000 0.856 1179 R HN 0.307 nan 8.270 nan 0.000 0.437 1180 M N -0.218 119.302 119.600 -0.133 0.000 2.229 1180 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 1180 M C 2.085 178.280 176.300 -0.176 0.000 1.063 1180 M CA 1.302 56.512 55.300 -0.150 0.000 1.114 1180 M CB -0.649 31.875 32.600 -0.127 0.000 1.387 1180 M HN 0.174 nan 8.290 nan 0.000 0.420 1181 L N -0.406 120.735 121.223 -0.137 0.000 2.083 1181 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 1181 L C 2.524 179.316 176.870 -0.131 0.000 1.083 1181 L CA 1.265 56.033 54.840 -0.120 0.000 0.752 1181 L CB -0.519 41.485 42.059 -0.091 0.000 0.899 1181 L HN 0.396 nan 8.230 nan 0.000 0.433 1182 Q N -0.413 119.303 119.800 -0.141 0.000 2.079 1182 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 1182 Q C 2.399 178.328 176.000 -0.119 0.000 0.974 1182 Q CA 1.507 57.230 55.803 -0.132 0.000 0.840 1182 Q CB -0.228 28.424 28.738 -0.144 0.000 0.898 1182 Q HN 0.533 nan 8.270 nan 0.000 0.430 1183 A N 1.083 123.822 122.820 -0.134 0.000 2.019 1183 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 1183 A C 2.265 179.766 177.584 -0.139 0.000 1.164 1183 A CA 1.353 53.316 52.037 -0.124 0.000 0.644 1183 A CB -0.638 18.278 19.000 -0.139 0.000 0.805 1183 A HN 0.390 nan 8.150 nan 0.000 0.449 1184 A N 0.101 122.816 122.820 -0.175 0.000 1.978 1184 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 1184 A C 1.655 179.193 177.584 -0.076 0.000 1.170 1184 A CA 1.767 53.699 52.037 -0.175 0.000 0.636 1184 A CB -0.516 18.379 19.000 -0.175 0.000 0.810 1184 A HN 0.452 nan 8.150 nan 0.000 0.448 1185 D N -0.087 120.289 120.400 -0.041 0.000 2.263 1185 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 1185 D C 1.775 178.170 176.300 0.158 0.000 0.971 1185 D CA 1.367 55.406 54.000 0.065 0.000 0.867 1185 D CB -0.083 40.702 40.800 -0.026 0.000 0.929 1185 D HN 0.429 nan 8.370 nan 0.000 0.492 1186 S N -0.359 115.373 115.700 0.054 0.000 2.528 1186 S HA 0.111 4.581 4.470 -0.000 0.000 0.219 1186 S C 1.008 175.609 174.600 0.001 0.000 0.985 1186 S CA -0.081 58.138 58.200 0.032 0.000 0.914 1186 S CB 0.601 63.806 63.200 0.009 0.000 0.776 1186 S HN 0.179 nan 8.310 nan 0.000 0.526 1187 L N 3.195 124.412 121.223 -0.009 0.000 2.307 1187 L HA 0.323 4.663 4.340 -0.000 0.000 0.282 1187 L C -1.805 175.078 176.870 0.022 0.000 1.051 1187 L CA -2.107 52.735 54.840 0.002 0.000 0.804 1187 L CB 0.867 42.913 42.059 -0.021 0.000 1.197 1187 L HN -0.121 nan 8.230 nan 0.000 0.431 1188 P HA -0.008 nan 4.420 nan 0.000 0.263 1188 P C -0.306 177.028 177.300 0.056 0.000 1.386 1188 P CA 0.362 63.481 63.100 0.033 0.000 0.797 1188 P CB -0.097 31.618 31.700 0.025 0.000 1.381 1189 V N -3.637 116.324 119.914 0.080 0.000 3.040 1189 V HA 0.551 4.671 4.120 -0.000 0.000 0.312 1189 V C -0.356 175.806 176.094 0.114 0.000 1.115 1189 V CA -1.420 60.947 62.300 0.112 0.000 0.998 1189 V CB 1.845 33.766 31.823 0.163 0.000 1.042 1189 V HN -0.183 nan 8.190 nan 0.000 0.433 1190 N N 2.041 120.824 118.700 0.138 0.000 2.513 1190 N HA 0.569 5.309 4.740 -0.000 0.000 0.268 1190 N C -0.719 174.944 175.510 0.255 0.000 1.180 1190 N CA 0.104 53.239 53.050 0.143 0.000 0.948 1190 N CB 1.441 40.064 38.487 0.226 0.000 1.083 1190 N HN 0.726 nan 8.380 nan 0.000 0.455 1191 I N -0.149 120.558 120.570 0.228 0.000 2.730 1191 I HA 0.515 4.685 4.170 -0.000 0.000 0.298 1191 I C 0.330 176.676 176.117 0.382 0.000 1.089 1191 I CA -0.948 60.530 61.300 0.297 0.000 1.041 1191 I CB 2.474 40.551 38.000 0.129 0.000 1.235 1191 I HN 0.424 nan 8.210 nan 0.000 0.423 1192 G N 5.580 114.594 108.800 0.356 0.000 2.719 1192 G HA2 0.697 4.657 3.960 -0.000 0.000 0.298 1192 G HA3 0.697 4.657 3.960 -0.000 0.000 0.298 1192 G C -1.343 173.698 174.900 0.234 0.000 1.433 1192 G CA -0.439 44.835 45.100 0.290 0.000 1.034 1192 G HN 0.372 nan 8.290 nan 0.000 0.517 1193 L N 1.374 122.705 121.223 0.181 0.000 2.344 1193 L HA 0.612 4.952 4.340 -0.000 0.000 0.272 1193 L C -0.211 176.740 176.870 0.136 0.000 1.035 1193 L CA -0.931 54.014 54.840 0.175 0.000 0.807 1193 L CB 1.908 44.033 42.059 0.110 0.000 1.237 1193 L HN 0.212 nan 8.230 nan 0.000 0.442 1194 L N 1.158 122.461 121.223 0.134 0.000 2.341 1194 L HA 0.638 4.978 4.340 -0.000 0.000 0.278 1194 L C 0.408 177.314 176.870 0.060 0.000 1.005 1194 L CA -0.458 54.436 54.840 0.090 0.000 0.818 1194 L CB 1.794 43.905 42.059 0.086 0.000 1.259 1194 L HN 0.665 nan 8.230 nan 0.000 0.418 1195 G N 1.137 109.954 108.800 0.027 0.000 2.552 1195 G HA2 0.299 4.259 3.960 -0.000 0.000 0.318 1195 G HA3 0.299 4.259 3.960 -0.000 0.000 0.318 1195 G C -0.947 173.920 174.900 -0.055 0.000 1.240 1195 G CA -0.595 44.500 45.100 -0.008 0.000 1.002 1195 G HN 0.519 nan 8.290 nan 0.000 0.493 1196 K N 0.192 120.513 120.400 -0.131 0.000 2.292 1196 K HA 0.247 4.567 4.320 -0.000 0.000 0.290 1196 K C 1.144 177.644 176.600 -0.167 0.000 1.083 1196 K CA 0.027 56.170 56.287 -0.241 0.000 0.918 1196 K CB 0.348 32.545 32.500 -0.505 0.000 1.089 1196 K HN 0.454 nan 8.250 nan 0.000 0.473 1197 G N 3.562 112.302 108.800 -0.101 0.000 2.985 1197 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.209 1197 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.209 1197 G C -0.012 174.859 174.900 -0.049 0.000 1.165 1197 G CA -0.270 44.792 45.100 -0.063 0.000 0.776 1197 G HN 0.610 nan 8.290 nan 0.000 0.541 1198 N N 0.373 119.036 118.700 -0.062 0.000 2.605 1198 N HA 0.435 5.175 4.740 -0.000 0.000 0.258 1198 N C -1.067 174.426 175.510 -0.027 0.000 1.156 1198 N CA 0.127 53.175 53.050 -0.005 0.000 1.008 1198 N CB 1.715 40.260 38.487 0.097 0.000 1.354 1198 N HN 0.021 nan 8.380 nan 0.000 0.509 1199 V N 0.616 120.519 119.914 -0.018 0.000 3.108 1199 V HA 0.242 4.362 4.120 -0.000 0.000 0.287 1199 V C -0.349 175.739 176.094 -0.010 0.000 1.436 1199 V CA -0.568 61.721 62.300 -0.018 0.000 1.001 1199 V CB 2.200 33.999 31.823 -0.040 0.000 1.141 1199 V HN 0.434 nan 8.190 nan 0.000 0.443 1200 S N 3.086 118.783 115.700 -0.004 0.000 2.582 1200 S HA 0.197 4.667 4.470 -0.000 0.000 0.234 1200 S C 0.023 174.619 174.600 -0.006 0.000 0.961 1200 S CA 0.063 58.261 58.200 -0.003 0.000 0.953 1200 S CB -0.060 63.141 63.200 0.002 0.000 0.800 1200 S HN 0.717 nan 8.310 nan 0.000 0.471 1201 Q N 2.319 122.113 119.800 -0.010 0.000 2.381 1201 Q HA 0.345 4.685 4.340 -0.000 0.000 0.263 1201 Q C -2.058 173.933 176.000 -0.014 0.000 1.030 1201 Q CA -2.131 53.666 55.803 -0.011 0.000 0.772 1201 Q CB 1.514 30.245 28.738 -0.011 0.000 1.232 1201 Q HN -0.048 nan 8.270 nan 0.000 0.476 1202 P HA -0.185 nan 4.420 nan 0.000 0.216 1202 P C 0.017 177.309 177.300 -0.013 0.000 1.150 1202 P CA 1.169 64.261 63.100 -0.013 0.000 0.837 1202 P CB 0.456 32.149 31.700 -0.011 0.000 0.786 1203 D N 0.136 120.529 120.400 -0.011 0.000 2.178 1203 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 1203 D C 2.082 178.375 176.300 -0.012 0.000 0.980 1203 D CA 1.411 55.405 54.000 -0.010 0.000 0.842 1203 D CB -0.504 40.291 40.800 -0.008 0.000 0.948 1203 D HN 0.155 nan 8.370 nan 0.000 0.472 1204 A N 0.202 123.012 122.820 -0.017 0.000 2.015 1204 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 1204 A C 2.320 179.888 177.584 -0.026 0.000 1.163 1204 A CA 0.681 52.704 52.037 -0.022 0.000 0.646 1204 A CB -0.379 18.603 19.000 -0.029 0.000 0.806 1204 A HN 0.200 nan 8.150 nan 0.000 0.448 1205 L N -1.551 119.658 121.223 -0.024 0.000 2.102 1205 L HA -0.041 4.299 4.340 -0.000 0.000 0.202 1205 L C 2.762 179.623 176.870 -0.015 0.000 1.076 1205 L CA 0.736 55.561 54.840 -0.025 0.000 0.761 1205 L CB -0.464 41.580 42.059 -0.025 0.000 0.921 1205 L HN 0.296 nan 8.230 nan 0.000 0.444 1206 R N 0.351 120.844 120.500 -0.011 0.000 2.103 1206 R HA -0.203 4.136 4.340 -0.000 0.000 0.242 1206 R C 2.115 178.414 176.300 -0.003 0.000 1.142 1206 R CA 1.557 57.653 56.100 -0.006 0.000 0.960 1206 R CB -0.359 29.937 30.300 -0.006 0.000 0.858 1206 R HN 0.443 nan 8.270 nan 0.000 0.439 1207 E N 0.677 120.875 120.200 -0.004 0.000 2.097 1207 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 1207 E C 2.168 178.770 176.600 0.005 0.000 1.000 1207 E CA 1.386 57.787 56.400 0.001 0.000 0.804 1207 E CB -0.040 29.660 29.700 0.000 0.000 0.740 1207 E HN 0.457 nan 8.360 nan 0.000 0.454 1208 Q N 0.145 119.946 119.800 0.001 0.000 2.079 1208 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 1208 Q C 2.414 178.420 176.000 0.011 0.000 0.974 1208 Q CA 1.260 57.067 55.803 0.006 0.000 0.840 1208 Q CB 0.013 28.748 28.738 -0.005 0.000 0.898 1208 Q HN 0.148 nan 8.270 nan 0.000 0.430 1209 V N 1.038 120.957 119.914 0.008 0.000 2.295 1209 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 1209 V C 2.258 178.361 176.094 0.016 0.000 1.049 1209 V CA 1.857 64.166 62.300 0.015 0.000 1.024 1209 V CB -0.951 30.878 31.823 0.010 0.000 0.648 1209 V HN 0.396 nan 8.190 nan 0.000 0.447 1210 A N -0.206 122.620 122.820 0.010 0.000 2.019 1210 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 1210 A C 2.340 179.929 177.584 0.008 0.000 1.164 1210 A CA 1.818 53.860 52.037 0.009 0.000 0.644 1210 A CB -0.561 18.442 19.000 0.005 0.000 0.805 1210 A HN 0.574 nan 8.150 nan 0.000 0.449 1211 A N -2.028 120.798 122.820 0.010 0.000 1.968 1211 A HA 0.367 4.687 4.320 -0.000 0.000 0.217 1211 A C 1.855 179.442 177.584 0.006 0.000 1.169 1211 A CA 1.898 53.939 52.037 0.007 0.000 0.638 1211 A CB -0.407 18.601 19.000 0.014 0.000 0.812 1211 A HN 1.545 nan 8.150 nan 0.000 0.446 1212 G N -2.012 106.799 108.800 0.017 0.000 3.246 1212 G HA2 0.086 4.046 3.960 -0.000 0.000 0.218 1212 G HA3 0.086 4.046 3.960 -0.000 0.000 0.218 1212 G C 0.330 175.257 174.900 0.046 0.000 0.978 1212 G CA 0.101 45.215 45.100 0.024 0.000 0.825 1212 G HN 1.332 nan 8.290 nan 0.000 0.546 1213 V N 1.292 121.233 119.914 0.046 0.000 2.843 1213 V HA 0.545 4.665 4.120 -0.000 0.000 0.305 1213 V C 1.610 177.748 176.094 0.074 0.000 1.065 1213 V CA 0.308 62.646 62.300 0.063 0.000 1.116 1213 V CB 1.054 32.908 31.823 0.051 0.000 0.968 1213 V HN 0.821 nan 8.190 nan 0.000 0.487 1214 I N 0.512 121.141 120.570 0.099 0.000 3.928 1214 I HA 0.777 4.947 4.170 -0.000 0.000 0.335 1214 I C 0.654 176.836 176.117 0.109 0.000 1.325 1214 I CA 0.360 61.725 61.300 0.108 0.000 1.107 1214 I CB -0.256 37.823 38.000 0.132 0.000 1.014 1214 I HN 0.931 nan 8.210 nan 0.000 0.400 1215 G N 0.716 109.570 108.800 0.091 0.000 2.451 1215 G HA2 0.588 4.548 3.960 -0.000 0.000 0.292 1215 G HA3 0.588 4.548 3.960 -0.000 0.000 0.292 1215 G C -1.672 173.251 174.900 0.039 0.000 1.427 1215 G CA -0.729 44.418 45.100 0.078 0.000 0.792 1215 G HN 0.089 nan 8.290 nan 0.000 0.498 1219 H N 5.529 124.691 119.070 0.154 0.000 2.538 1219 H HA 0.379 4.935 4.556 -0.000 0.000 0.353 1219 H C 0.631 175.994 175.328 0.059 0.000 1.109 1219 H CA -0.306 55.802 56.048 0.100 0.000 1.192 1219 H CB 2.347 32.190 29.762 0.136 0.000 1.555 1219 H HN 0.838 nan 8.280 nan 0.000 0.518 1220 E N 2.256 122.407 120.200 -0.082 0.000 2.209 1220 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 1220 E C 0.086 176.737 176.600 0.085 0.000 0.993 1220 E CA 1.506 57.926 56.400 0.033 0.000 0.819 1220 E CB 0.180 29.896 29.700 0.027 0.000 0.745 1220 E HN 0.459 nan 8.360 nan 0.000 0.477 1221 D N 0.014 120.519 120.400 0.175 0.000 2.310 1221 D HA -0.106 4.534 4.640 -0.000 0.000 0.212 1221 D C 0.584 176.745 176.300 -0.232 0.000 0.965 1221 D CA 0.873 54.806 54.000 -0.110 0.000 0.879 1221 D CB -0.194 40.395 40.800 -0.351 0.000 0.921 1221 D HN 0.488 nan 8.370 nan 0.000 0.510 1222 W N 0.204 121.547 121.300 0.072 0.000 3.127 1222 W HA 0.377 5.037 4.660 -0.000 0.000 0.344 1222 W C 0.600 177.137 176.519 0.029 0.000 1.151 1222 W CA -0.042 57.322 57.345 0.033 0.000 1.765 1222 W CB 0.966 30.442 29.460 0.028 0.000 1.085 1222 W HN -0.074 nan 8.180 nan 0.000 0.596 1223 G N 1.273 110.200 108.800 0.211 0.000 2.788 1223 G HA2 0.070 4.030 3.960 -0.000 0.000 0.301 1223 G HA3 0.070 4.030 3.960 -0.000 0.000 0.301 1223 G C -0.218 174.748 174.900 0.110 0.000 1.000 1223 G CA -0.595 44.582 45.100 0.128 0.000 1.267 1223 G HN 0.382 nan 8.290 nan 0.000 0.578 1224 A N 1.973 124.844 122.820 0.085 0.000 3.077 1224 A HA 0.648 4.968 4.320 -0.000 0.000 0.255 1224 A C 1.293 178.905 177.584 0.047 0.000 1.728 1224 A CA 0.899 52.976 52.037 0.066 0.000 1.383 1224 A CB -0.574 18.459 19.000 0.056 0.000 1.097 1224 A HN 1.969 nan 8.150 nan 0.000 0.634 1225 T N -2.372 112.209 114.554 0.045 0.000 2.874 1225 T HA 0.444 4.794 4.350 -0.000 0.000 0.281 1225 T C -1.860 172.858 174.700 0.030 0.000 0.994 1225 T CA -1.704 60.416 62.100 0.034 0.000 1.015 1225 T CB 1.105 69.989 68.868 0.027 0.000 1.028 1225 T HN 0.083 nan 8.240 nan 0.000 0.523 1226 P HA -0.049 nan 4.420 nan 0.000 0.216 1226 P C 1.619 178.925 177.300 0.010 0.000 1.150 1226 P CA 1.413 64.523 63.100 0.017 0.000 0.837 1226 P CB -0.235 31.472 31.700 0.012 0.000 0.786 1227 A N -0.003 122.823 122.820 0.010 0.000 1.877 1227 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 1227 A C 2.327 179.915 177.584 0.006 0.000 1.186 1227 A CA 2.116 54.156 52.037 0.006 0.000 0.620 1227 A CB -1.630 17.374 19.000 0.007 0.000 0.822 1227 A HN 0.183 nan 8.150 nan 0.000 0.443 1228 A N -0.017 122.811 122.820 0.013 0.000 1.883 1228 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 1228 A C 2.150 179.737 177.584 0.005 0.000 1.186 1228 A CA 1.613 53.657 52.037 0.013 0.000 0.624 1228 A CB -0.689 18.329 19.000 0.030 0.000 0.822 1228 A HN 0.503 nan 8.150 nan 0.000 0.444 1229 I N -0.275 120.300 120.570 0.007 0.000 2.127 1229 I HA -0.296 3.874 4.170 -0.000 0.000 0.241 1229 I C 2.386 178.495 176.117 -0.013 0.000 1.075 1229 I CA 2.062 63.360 61.300 -0.004 0.000 1.334 1229 I CB -0.475 37.525 38.000 0.001 0.000 1.040 1229 I HN 0.456 nan 8.210 nan 0.000 0.405 1230 D N 0.220 120.614 120.400 -0.010 0.000 2.104 1230 D HA -0.254 4.386 4.640 -0.000 0.000 0.194 1230 D C 2.305 178.597 176.300 -0.015 0.000 0.994 1230 D CA 1.489 55.481 54.000 -0.013 0.000 0.830 1230 D CB -0.248 40.546 40.800 -0.009 0.000 0.959 1230 D HN 0.401 nan 8.370 nan 0.000 0.452 1231 C N -0.019 119.274 119.300 -0.012 0.000 2.413 1231 C HA 0.032 4.492 4.460 -0.000 0.000 0.276 1231 C C 2.870 177.849 174.990 -0.018 0.000 1.248 1231 C CA 1.527 60.537 59.018 -0.013 0.000 1.742 1231 C CB -1.512 26.221 27.740 -0.011 0.000 2.017 1231 C HN 0.455 nan 8.230 nan 0.000 0.481 1232 A N -0.019 122.788 122.820 -0.021 0.000 1.898 1232 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 1232 A C 2.169 179.734 177.584 -0.031 0.000 1.181 1232 A CA 1.604 53.625 52.037 -0.027 0.000 0.620 1232 A CB -0.654 18.328 19.000 -0.031 0.000 0.819 1232 A HN 0.649 nan 8.150 nan 0.000 0.442 1233 L N -0.717 120.487 121.223 -0.032 0.000 2.093 1233 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 1233 L C 2.746 179.599 176.870 -0.029 0.000 1.085 1233 L CA 1.612 56.431 54.840 -0.035 0.000 0.755 1233 L CB -0.807 41.230 42.059 -0.036 0.000 0.904 1233 L HN 0.342 nan 8.230 nan 0.000 0.435 1234 T N -0.542 113.998 114.554 -0.023 0.000 2.708 1234 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 1234 T C 1.973 176.662 174.700 -0.019 0.000 1.037 1234 T CA 1.389 63.477 62.100 -0.019 0.000 1.146 1234 T CB -0.182 68.677 68.868 -0.016 0.000 0.865 1234 T HN 0.070 nan 8.240 nan 0.000 0.435 1235 V N 1.604 121.507 119.914 -0.019 0.000 2.515 1235 V HA -0.108 4.012 4.120 -0.000 0.000 0.250 1235 V C 2.830 178.913 176.094 -0.018 0.000 1.058 1235 V CA 1.440 63.730 62.300 -0.017 0.000 1.064 1235 V CB -1.177 30.636 31.823 -0.016 0.000 0.675 1235 V HN 0.512 nan 8.190 nan 0.000 0.461 1236 A N 0.050 122.856 122.820 -0.023 0.000 1.877 1236 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 1236 A C 1.999 179.568 177.584 -0.026 0.000 1.186 1236 A CA 1.968 53.989 52.037 -0.027 0.000 0.620 1236 A CB -0.599 18.378 19.000 -0.038 0.000 0.822 1236 A HN 0.509 nan 8.150 nan 0.000 0.443 1237 D N -0.408 119.977 120.400 -0.026 0.000 2.218 1237 D HA -0.103 4.537 4.640 -0.000 0.000 0.204 1237 D C 1.891 178.180 176.300 -0.019 0.000 0.976 1237 D CA 1.164 55.150 54.000 -0.024 0.000 0.853 1237 D CB -0.229 40.557 40.800 -0.023 0.000 0.939 1237 D HN 0.659 nan 8.370 nan 0.000 0.481 1238 E N -0.290 119.900 120.200 -0.016 0.000 2.033 1238 E HA 0.024 4.374 4.350 -0.000 0.000 0.189 1238 E C 1.682 178.276 176.600 -0.010 0.000 0.979 1238 E CA 0.630 57.022 56.400 -0.012 0.000 0.802 1238 E CB 0.064 29.758 29.700 -0.011 0.000 0.763 1238 E HN 0.247 nan 8.360 nan 0.000 0.449 1239 M N 0.506 120.100 119.600 -0.009 0.000 2.431 1239 M HA 0.066 4.546 4.480 -0.000 0.000 0.237 1239 M C -0.251 176.047 176.300 -0.002 0.000 1.130 1239 M CA -0.024 55.273 55.300 -0.004 0.000 1.002 1239 M CB 0.474 33.074 32.600 -0.000 0.000 1.524 1239 M HN -0.133 nan 8.290 nan 0.000 0.482 1240 D N 2.768 123.162 120.400 -0.010 0.000 2.737 1240 D HA -0.159 4.481 4.640 -0.000 0.000 0.238 1240 D C -1.083 175.214 176.300 -0.005 0.000 1.157 1240 D CA 0.627 54.620 54.000 -0.012 0.000 0.694 1240 D CB -0.776 40.017 40.800 -0.012 0.000 1.021 1240 D HN 0.538 nan 8.370 nan 0.000 0.420 1241 I N -2.433 118.131 120.570 -0.010 0.000 2.892 1241 I HA 0.702 4.872 4.170 -0.000 0.000 0.306 1241 I C -0.055 176.043 176.117 -0.031 0.000 1.078 1241 I CA -1.209 60.090 61.300 -0.002 0.000 1.032 1241 I CB 1.608 39.617 38.000 0.015 0.000 1.229 1241 I HN -0.120 nan 8.210 nan 0.000 0.435 1242 Q N 1.813 121.589 119.800 -0.039 0.000 2.227 1242 Q HA 0.708 5.048 4.340 -0.000 0.000 0.245 1242 Q C -1.393 174.553 176.000 -0.091 0.000 0.926 1242 Q CA -0.536 55.197 55.803 -0.118 0.000 0.895 1242 Q CB 1.843 30.394 28.738 -0.312 0.000 1.230 1242 Q HN 0.651 nan 8.270 nan 0.000 0.450 1243 V N 2.241 122.078 119.914 -0.130 0.000 2.495 1243 V HA 0.825 4.945 4.120 -0.000 0.000 0.298 1243 V C -0.693 175.259 176.094 -0.236 0.000 1.031 1243 V CA -0.705 61.512 62.300 -0.138 0.000 0.871 1243 V CB 1.420 33.176 31.823 -0.112 0.000 0.988 1243 V HN 0.862 nan 8.190 nan 0.000 0.432 1244 A N 5.106 127.715 122.820 -0.352 0.000 2.304 1244 A HA 0.880 5.200 4.320 -0.000 0.000 0.323 1244 A C -1.076 176.141 177.584 -0.611 0.000 1.195 1244 A CA -0.461 51.103 52.037 -0.789 0.000 0.826 1244 A CB 1.172 19.408 19.000 -1.273 0.000 1.184 1244 A HN 0.815 nan 8.150 nan 0.000 0.496 1245 L N 1.915 122.784 121.223 -0.591 0.000 2.346 1245 L HA 0.620 4.960 4.340 -0.000 0.000 0.276 1245 L C -0.557 176.209 176.870 -0.174 0.000 1.006 1245 L CA -0.216 54.456 54.840 -0.279 0.000 0.817 1245 L CB 1.720 43.680 42.059 -0.165 0.000 1.272 1245 L HN 0.798 nan 8.230 nan 0.000 0.421 1246 H N 3.030 122.017 119.070 -0.138 0.000 2.854 1246 H HA 0.521 5.077 4.556 -0.000 0.000 0.275 1246 H C -0.403 174.872 175.328 -0.088 0.000 1.198 1246 H CA -0.284 55.731 56.048 -0.054 0.000 1.489 1246 H CB 0.797 30.466 29.762 -0.154 0.000 1.519 1246 H HN 0.839 nan 8.280 nan 0.000 0.503 1247 S N 2.460 118.195 115.700 0.058 0.000 2.606 1247 S HA -0.065 4.405 4.470 -0.000 0.000 0.257 1247 S C 0.466 175.010 174.600 -0.094 0.000 1.327 1247 S CA -0.750 57.449 58.200 -0.002 0.000 0.984 1247 S CB 0.805 64.025 63.200 0.034 0.000 0.941 1247 S HN 0.737 nan 8.310 nan 0.000 0.576 1248 D N 0.569 120.771 120.400 -0.329 0.000 2.357 1248 D HA 0.139 4.779 4.640 -0.000 0.000 0.265 1248 D C 0.984 176.992 176.300 -0.486 0.000 1.334 1248 D CA 0.177 53.962 54.000 -0.359 0.000 0.984 1248 D CB -0.022 40.600 40.800 -0.297 0.000 1.077 1248 D HN 0.561 nan 8.370 nan 0.000 0.514 1249 T N 3.786 118.255 114.554 -0.142 0.000 2.788 1249 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 1249 T C 1.953 176.687 174.700 0.057 0.000 1.044 1249 T CA 0.725 62.817 62.100 -0.013 0.000 1.139 1249 T CB 0.022 68.981 68.868 0.151 0.000 0.867 1249 T HN 0.440 nan 8.240 nan 0.000 0.454 1250 L N 0.887 122.129 121.223 0.031 0.000 2.456 1250 L HA 0.047 4.387 4.340 -0.000 0.000 0.224 1250 L C 0.718 177.600 176.870 0.019 0.000 1.148 1250 L CA 0.228 55.077 54.840 0.015 0.000 0.825 1250 L CB -0.753 41.269 42.059 -0.062 0.000 0.937 1250 L HN 0.252 nan 8.230 nan 0.000 0.450 1251 N N 0.052 118.766 118.700 0.022 0.000 2.741 1251 N HA -0.261 4.479 4.740 -0.000 0.000 0.251 1251 N C 1.140 176.581 175.510 -0.115 0.000 1.112 1251 N CA 1.270 54.339 53.050 0.031 0.000 0.750 1251 N CB -1.036 37.494 38.487 0.072 0.000 1.119 1251 N HN 0.586 nan 8.380 nan 0.000 0.561 1252 E N 0.578 120.736 120.200 -0.071 0.000 2.058 1252 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 1252 E C 1.483 178.033 176.600 -0.084 0.000 0.997 1252 E CA 1.866 58.220 56.400 -0.077 0.000 0.801 1252 E CB 0.076 29.742 29.700 -0.055 0.000 0.746 1252 E HN 0.538 nan 8.360 nan 0.000 0.450 1253 S N -1.168 114.500 115.700 -0.054 0.000 2.535 1253 S HA 0.381 4.851 4.470 -0.000 0.000 0.214 1253 S C 0.570 175.132 174.600 -0.065 0.000 0.980 1253 S CA 0.072 58.247 58.200 -0.041 0.000 0.907 1253 S CB 1.180 64.379 63.200 -0.002 0.000 0.790 1253 S HN 0.448 nan 8.310 nan 0.000 0.510 1254 G N -0.062 108.668 108.800 -0.117 0.000 2.341 1254 G HA2 0.372 4.332 3.960 -0.000 0.000 0.293 1254 G HA3 0.372 4.332 3.960 -0.000 0.000 0.293 1254 G C -1.104 173.662 174.900 -0.223 0.000 1.298 1254 G CA -1.123 43.853 45.100 -0.208 0.000 0.868 1254 G HN 0.157 nan 8.290 nan 0.000 0.540 1255 F N -1.183 118.743 119.950 -0.039 0.000 2.362 1255 F HA 0.551 5.078 4.527 -0.000 0.000 0.340 1255 F C 1.881 177.251 175.800 -0.717 0.000 1.088 1255 F CA 0.141 58.016 58.000 -0.207 0.000 1.096 1255 F CB 1.112 40.051 39.000 -0.101 0.000 1.486 1255 F HN 0.329 nan 8.300 nan 0.000 0.500 1256 V N 1.383 120.981 119.914 -0.527 0.000 2.332 1256 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 1256 V C 2.254 178.203 176.094 -0.242 0.000 1.055 1256 V CA 2.445 64.402 62.300 -0.571 0.000 1.038 1256 V CB -0.609 31.103 31.823 -0.185 0.000 0.651 1256 V HN 0.827 nan 8.190 nan 0.000 0.450 1257 E N -0.886 119.254 120.200 -0.100 0.000 2.153 1257 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 1257 E C 1.710 178.284 176.600 -0.044 0.000 0.988 1257 E CA 1.776 58.149 56.400 -0.045 0.000 0.811 1257 E CB -0.723 28.979 29.700 0.004 0.000 0.746 1257 E HN 0.680 nan 8.360 nan 0.000 0.466 1258 D N 0.989 121.367 120.400 -0.037 0.000 2.097 1258 D HA -0.085 4.555 4.640 -0.000 0.000 0.197 1258 D C 1.844 178.126 176.300 -0.029 0.000 0.984 1258 D CA 1.865 55.854 54.000 -0.020 0.000 0.826 1258 D CB -0.164 40.631 40.800 -0.007 0.000 0.973 1258 D HN 0.216 nan 8.370 nan 0.000 0.460 1259 T N 1.782 116.310 114.554 -0.045 0.000 2.684 1259 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 1259 T C 2.285 176.958 174.700 -0.044 0.000 1.036 1259 T CA 0.605 62.709 62.100 0.007 0.000 1.148 1259 T CB -0.334 68.595 68.868 0.102 0.000 0.863 1259 T HN 0.098 nan 8.240 nan 0.000 0.436 1260 L N 0.659 121.825 121.223 -0.096 0.000 2.079 1260 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 1260 L C 2.974 179.776 176.870 -0.113 0.000 1.081 1260 L CA 1.231 55.975 54.840 -0.160 0.000 0.752 1260 L CB -0.638 41.268 42.059 -0.254 0.000 0.896 1260 L HN 0.251 nan 8.230 nan 0.000 0.433 1261 A N -0.034 122.746 122.820 -0.067 0.000 1.877 1261 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 1261 A C 2.558 180.123 177.584 -0.033 0.000 1.186 1261 A CA 1.682 53.696 52.037 -0.039 0.000 0.620 1261 A CB -0.797 18.192 19.000 -0.019 0.000 0.822 1261 A HN 0.386 nan 8.150 nan 0.000 0.443 1262 A N 0.001 122.805 122.820 -0.027 0.000 1.908 1262 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 1262 A C 2.089 179.656 177.584 -0.028 0.000 1.181 1262 A CA 1.656 53.682 52.037 -0.019 0.000 0.627 1262 A CB -0.701 18.295 19.000 -0.006 0.000 0.818 1262 A HN 0.521 nan 8.150 nan 0.000 0.445 1263 I N -0.523 120.022 120.570 -0.042 0.000 2.361 1263 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 1263 I C 1.754 177.844 176.117 -0.046 0.000 1.133 1263 I CA 0.884 62.154 61.300 -0.051 0.000 1.413 1263 I CB -0.666 37.290 38.000 -0.074 0.000 1.073 1263 I HN 0.490 nan 8.210 nan 0.000 0.424 1264 G N 1.117 109.890 108.800 -0.045 0.000 2.356 1264 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.296 1264 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.296 1264 G C 1.003 175.887 174.900 -0.028 0.000 1.022 1264 G CA 0.426 45.508 45.100 -0.032 0.000 0.961 1264 G HN 0.927 nan 8.290 nan 0.000 0.510 1265 G N -1.686 107.093 108.800 -0.034 0.000 2.168 1265 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.263 1265 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.263 1265 G C 0.595 175.480 174.900 -0.025 0.000 0.977 1265 G CA 1.116 46.205 45.100 -0.019 0.000 0.659 1265 G HN 1.031 nan 8.290 nan 0.000 0.533 1266 R N 0.495 120.974 120.500 -0.035 0.000 2.531 1266 R HA 0.466 4.806 4.340 -0.000 0.000 0.273 1266 R C 0.487 176.760 176.300 -0.046 0.000 1.070 1266 R CA -0.017 56.060 56.100 -0.037 0.000 1.112 1266 R CB 0.439 30.717 30.300 -0.038 0.000 1.049 1266 R HN 0.157 nan 8.270 nan 0.000 0.508 1267 T N 2.878 117.403 114.554 -0.049 0.000 2.902 1267 T HA 0.210 4.560 4.350 -0.000 0.000 0.301 1267 T C 0.137 174.793 174.700 -0.073 0.000 1.012 1267 T CA 0.427 62.490 62.100 -0.061 0.000 1.151 1267 T CB 0.068 68.897 68.868 -0.066 0.000 0.946 1267 T HN 0.395 nan 8.240 nan 0.000 0.542 1268 I N 1.669 122.193 120.570 -0.077 0.000 2.787 1268 I HA 0.237 4.407 4.170 -0.000 0.000 0.294 1268 I C -0.886 175.198 176.117 -0.056 0.000 1.365 1268 I CA -0.789 60.459 61.300 -0.086 0.000 1.029 1268 I CB 2.060 40.006 38.000 -0.089 0.000 1.313 1268 I HN 0.756 nan 8.210 nan 0.000 0.431 1269 H N 5.605 124.541 119.070 -0.223 0.000 2.556 1269 H HA 0.434 4.990 4.556 -0.000 0.000 0.310 1269 H C -0.870 174.302 175.328 -0.261 0.000 1.057 1269 H CA -0.577 55.340 56.048 -0.218 0.000 1.264 1269 H CB 0.991 30.610 29.762 -0.239 0.000 1.404 1269 H HN 0.611 nan 8.280 nan 0.000 0.462 1270 T N 3.527 118.098 114.554 0.028 0.000 2.728 1270 T HA 0.191 4.541 4.350 -0.000 0.000 0.296 1270 T C -0.073 174.584 174.700 -0.071 0.000 0.940 1270 T CA -0.770 61.258 62.100 -0.120 0.000 1.013 1270 T CB 0.177 68.997 68.868 -0.080 0.000 0.912 1270 T HN 0.196 nan 8.240 nan 0.000 0.484 1271 F N 3.817 123.505 119.950 -0.435 0.000 2.418 1271 F HA 0.250 4.777 4.527 -0.000 0.000 0.341 1271 F C 1.492 176.901 175.800 -0.652 0.000 1.120 1271 F CA -0.977 56.692 58.000 -0.552 0.000 1.232 1271 F CB -0.132 38.426 39.000 -0.736 0.000 1.175 1271 F HN 0.958 nan 8.300 nan 0.000 0.569 1272 H N -0.811 118.422 119.070 0.272 0.000 2.284 1272 H HA -0.206 4.350 4.556 -0.000 0.000 0.322 1272 H C 0.732 176.132 175.328 0.120 0.000 0.973 1272 H CA 0.434 56.584 56.048 0.171 0.000 1.076 1272 H CB -2.429 27.403 29.762 0.117 0.000 1.596 1272 H HN 0.528 nan 8.280 nan 0.000 0.361 1273 T N -0.911 113.738 114.554 0.158 0.000 2.897 1273 T HA -0.241 4.109 4.350 -0.000 0.000 0.271 1273 T C 1.763 176.625 174.700 0.270 0.000 1.084 1273 T CA 1.257 63.403 62.100 0.077 0.000 1.123 1273 T CB 0.037 68.696 68.868 -0.349 0.000 0.865 1273 T HN 0.693 nan 8.240 nan 0.000 0.496 1274 E N 0.864 121.306 120.200 0.402 0.000 2.110 1274 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 1274 E C 1.952 178.623 176.600 0.117 0.000 0.988 1274 E CA 1.392 57.953 56.400 0.267 0.000 0.804 1274 E CB -0.300 29.503 29.700 0.170 0.000 0.745 1274 E HN 0.602 nan 8.360 nan 0.000 0.458 1275 G N -0.258 108.601 108.800 0.099 0.000 2.541 1275 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.201 1275 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.201 1275 G C 1.424 176.265 174.900 -0.098 0.000 1.026 1275 G CA 0.613 45.712 45.100 -0.002 0.000 0.687 1275 G HN 0.553 nan 8.290 nan 0.000 0.492 1276 A N 0.864 123.633 122.820 -0.085 0.000 1.917 1276 A HA 0.250 4.570 4.320 -0.000 0.000 0.219 1276 A C 2.595 180.084 177.584 -0.159 0.000 1.182 1276 A CA 2.646 54.623 52.037 -0.100 0.000 0.633 1276 A CB -0.956 18.011 19.000 -0.054 0.000 0.819 1276 A HN 1.710 nan 8.150 nan 0.000 0.448 1277 G N -1.690 106.948 108.800 -0.270 0.000 2.920 1277 G HA2 0.455 4.415 3.960 -0.000 0.000 0.208 1277 G HA3 0.455 4.415 3.960 -0.000 0.000 0.208 1277 G C 0.647 174.978 174.900 -0.947 0.000 1.159 1277 G CA 0.728 45.509 45.100 -0.532 0.000 0.784 1277 G HN 1.652 nan 8.290 nan 0.000 0.535 1278 G N -2.086 106.292 108.800 -0.703 0.000 2.435 1278 G HA2 0.573 4.533 3.960 -0.000 0.000 0.603 1278 G HA3 0.573 4.533 3.960 -0.000 0.000 0.603 1278 G C -0.249 174.373 174.900 -0.463 0.000 1.496 1278 G CA -0.101 44.570 45.100 -0.715 0.000 0.896 1278 G HN 1.839 nan 8.290 nan 0.000 0.657 1279 G N 0.614 109.250 108.800 -0.274 0.000 2.317 1279 G HA2 0.472 4.432 3.960 -0.000 0.000 0.445 1279 G HA3 0.472 4.432 3.960 -0.000 0.000 0.445 1279 G C -0.457 174.419 174.900 -0.040 0.000 1.486 1279 G CA -0.363 44.669 45.100 -0.115 0.000 0.991 1279 G HN 1.446 nan 8.290 nan 0.000 0.660 1280 H N 0.080 119.173 119.070 0.038 0.000 3.223 1280 H HA 0.236 4.792 4.556 -0.000 0.000 0.287 1280 H C 1.115 176.471 175.328 0.047 0.000 0.910 1280 H CA 1.516 57.606 56.048 0.070 0.000 1.406 1280 H CB 0.499 30.317 29.762 0.093 0.000 1.377 1280 H HN 0.973 nan 8.280 nan 0.000 0.556 1281 A N 6.962 129.875 122.820 0.154 0.000 2.320 1281 A HA 0.279 4.599 4.320 -0.000 0.000 0.287 1281 A C -1.582 176.051 177.584 0.081 0.000 1.181 1281 A CA -1.213 50.858 52.037 0.056 0.000 0.831 1281 A CB 0.607 19.636 19.000 0.049 0.000 1.102 1281 A HN 0.541 nan 8.150 nan 0.000 0.513 1282 P HA 0.188 nan 4.420 nan 0.000 0.305 1282 P C -0.769 176.488 177.300 -0.072 0.000 1.600 1282 P CA 0.113 63.106 63.100 -0.178 0.000 1.319 1282 P CB 0.477 31.848 31.700 -0.549 0.000 1.608 1283 D N -0.808 119.606 120.400 0.022 0.000 2.772 1283 D HA 0.055 4.695 4.640 -0.000 0.000 0.272 1283 D C 1.089 177.433 176.300 0.074 0.000 1.314 1283 D CA -0.660 53.364 54.000 0.041 0.000 0.835 1283 D CB -0.433 40.386 40.800 0.032 0.000 1.080 1283 D HN -0.050 nan 8.370 nan 0.000 0.482 1284 I N 0.335 120.962 120.570 0.096 0.000 2.676 1284 I HA 0.036 4.206 4.170 -0.000 0.000 0.259 1284 I C 1.586 177.763 176.117 0.101 0.000 1.194 1284 I CA 0.617 61.985 61.300 0.114 0.000 1.473 1284 I CB -0.132 37.941 38.000 0.121 0.000 1.096 1284 I HN 0.249 nan 8.210 nan 0.000 0.443 1285 I N 0.425 121.063 120.570 0.113 0.000 2.567 1285 I HA -0.293 3.877 4.170 -0.000 0.000 0.257 1285 I C 2.081 178.288 176.117 0.150 0.000 1.184 1285 I CA 1.730 63.132 61.300 0.170 0.000 1.451 1285 I CB -0.298 37.803 38.000 0.169 0.000 1.089 1285 I HN 0.470 nan 8.210 nan 0.000 0.441 1286 T N -1.460 113.159 114.554 0.109 0.000 3.051 1286 T HA 0.016 4.366 4.350 -0.000 0.000 0.269 1286 T C 1.829 176.618 174.700 0.148 0.000 1.127 1286 T CA 0.723 62.887 62.100 0.107 0.000 1.107 1286 T CB -0.421 68.500 68.868 0.088 0.000 0.898 1286 T HN 0.389 nan 8.240 nan 0.000 0.517 1287 A N 1.355 124.252 122.820 0.129 0.000 2.019 1287 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 1287 A C 2.655 180.328 177.584 0.150 0.000 1.164 1287 A CA 1.376 53.499 52.037 0.143 0.000 0.644 1287 A CB -1.552 17.465 19.000 0.029 0.000 0.805 1287 A HN 1.007 nan 8.150 nan 0.000 0.449 1288 C N -1.795 117.542 119.300 0.063 0.000 2.485 1288 C HA 0.414 4.874 4.460 -0.000 0.000 0.283 1288 C C 2.369 177.377 174.990 0.030 0.000 1.478 1288 C CA 0.021 59.046 59.018 0.013 0.000 1.741 1288 C CB -1.782 25.975 27.740 0.028 0.000 1.675 1288 C HN 0.636 nan 8.230 nan 0.000 0.573 1289 A N -0.551 122.280 122.820 0.018 0.000 2.132 1289 A HA 0.145 4.465 4.320 -0.000 0.000 0.213 1289 A C 0.958 178.409 177.584 -0.222 0.000 1.154 1289 A CA 0.202 52.167 52.037 -0.119 0.000 0.753 1289 A CB -0.584 18.294 19.000 -0.202 0.000 0.826 1289 A HN 0.839 nan 8.150 nan 0.000 0.469 1290 H N 0.092 119.152 119.070 -0.017 0.000 2.525 1290 H HA 0.149 4.705 4.556 -0.000 0.000 0.339 1290 H C -1.596 173.715 175.328 -0.028 0.000 1.109 1290 H CA -1.357 54.678 56.048 -0.021 0.000 1.352 1290 H CB 1.028 30.776 29.762 -0.024 0.000 1.461 1290 H HN 0.179 nan 8.280 nan 0.000 0.533 1291 P HA -0.134 nan 4.420 nan 0.000 0.221 1291 P C 0.794 178.104 177.300 0.016 0.000 1.150 1291 P CA 1.044 64.158 63.100 0.024 0.000 0.800 1291 P CB 0.351 32.059 31.700 0.014 0.000 0.787 1292 N N -0.292 118.426 118.700 0.030 0.000 2.398 1292 N HA 0.007 4.747 4.740 -0.000 0.000 0.188 1292 N C 0.271 175.768 175.510 -0.022 0.000 1.122 1292 N CA 0.184 53.231 53.050 -0.005 0.000 0.866 1292 N CB -0.113 38.368 38.487 -0.010 0.000 0.970 1292 N HN 0.114 nan 8.380 nan 0.000 0.462 1293 I N 2.041 122.608 120.570 -0.005 0.000 2.315 1293 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 1293 I C -0.333 175.749 176.117 -0.058 0.000 1.006 1293 I CA -0.780 60.503 61.300 -0.029 0.000 1.265 1293 I CB 1.497 39.494 38.000 -0.005 0.000 1.387 1293 I HN -0.071 nan 8.210 nan 0.000 0.475 1294 L N 8.864 130.041 121.223 -0.077 0.000 2.297 1294 L HA 0.418 4.758 4.340 -0.000 0.000 0.277 1294 L C -2.216 174.595 176.870 -0.099 0.000 1.040 1294 L CA -1.809 52.954 54.840 -0.128 0.000 0.867 1294 L CB 0.661 42.595 42.059 -0.208 0.000 1.244 1294 L HN 0.266 nan 8.230 nan 0.000 0.433 1295 P HA 0.359 nan 4.420 nan 0.000 0.290 1295 P C -0.608 176.567 177.300 -0.209 0.000 1.276 1295 P CA -0.217 62.733 63.100 -0.249 0.000 0.808 1295 P CB 2.074 33.444 31.700 -0.549 0.000 0.966 1296 S N 1.590 117.267 115.700 -0.038 0.000 2.632 1296 S HA 0.751 5.221 4.470 -0.000 0.000 0.289 1296 S C -0.553 174.166 174.600 0.198 0.000 1.115 1296 S CA -0.674 57.617 58.200 0.152 0.000 0.889 1296 S CB 1.233 64.682 63.200 0.415 0.000 1.116 1296 S HN 0.332 nan 8.310 nan 0.000 0.486 1297 S N 1.149 117.058 115.700 0.350 0.000 2.566 1297 S HA 0.790 5.260 4.470 -0.000 0.000 0.298 1297 S C -0.092 174.648 174.600 0.234 0.000 1.083 1297 S CA -0.795 57.639 58.200 0.389 0.000 0.978 1297 S CB 1.676 65.226 63.200 0.582 0.000 1.073 1297 S HN 1.003 nan 8.310 nan 0.000 0.491 1298 T N -0.064 114.599 114.554 0.183 0.000 2.881 1298 T HA 0.304 4.654 4.350 -0.000 0.000 0.278 1298 T C 0.917 175.645 174.700 0.048 0.000 0.982 1298 T CA -0.756 61.370 62.100 0.043 0.000 0.989 1298 T CB 0.382 69.249 68.868 -0.002 0.000 1.058 1298 T HN 0.608 nan 8.240 nan 0.000 0.529 1299 N N -0.559 118.132 118.700 -0.015 0.000 2.373 1299 N HA 0.118 4.858 4.740 -0.000 0.000 0.181 1299 N C -1.653 173.868 175.510 0.019 0.000 1.082 1299 N CA -0.648 52.398 53.050 -0.007 0.000 0.885 1299 N CB -1.214 37.244 38.487 -0.048 0.000 0.977 1299 N HN 0.357 nan 8.380 nan 0.000 0.462 1300 P HA -0.050 nan 4.420 nan 0.000 0.220 1300 P C 0.937 178.349 177.300 0.187 0.000 1.148 1300 P CA 1.640 64.808 63.100 0.114 0.000 0.803 1300 P CB -0.190 31.580 31.700 0.116 0.000 0.782 1301 T N -4.107 110.520 114.554 0.122 0.000 3.129 1301 T HA 0.159 4.509 4.350 -0.000 0.000 0.251 1301 T C 0.494 175.227 174.700 0.056 0.000 1.117 1301 T CA 0.139 62.259 62.100 0.034 0.000 1.034 1301 T CB -0.639 68.217 68.868 -0.020 0.000 0.968 1301 T HN -0.041 nan 8.240 nan 0.000 0.526 1302 L N 3.219 124.478 121.223 0.059 0.000 2.276 1302 L HA 0.531 4.871 4.340 -0.000 0.000 0.286 1302 L C -2.460 174.436 176.870 0.043 0.000 1.024 1302 L CA -2.309 52.559 54.840 0.047 0.000 0.826 1302 L CB 1.679 43.743 42.059 0.008 0.000 1.211 1302 L HN -0.013 nan 8.230 nan 0.000 0.422 1303 P HA 0.135 nan 4.420 nan 0.000 0.292 1303 P C -1.349 176.033 177.300 0.137 0.000 1.304 1303 P CA -0.747 62.410 63.100 0.095 0.000 0.848 1303 P CB 1.160 32.915 31.700 0.092 0.000 1.260 1304 Y N 1.525 121.825 120.300 0.000 0.000 2.569 1304 Y HA 0.298 4.848 4.550 -0.000 0.000 0.332 1304 Y C 0.333 176.234 175.900 0.001 0.000 1.120 1304 Y CA 0.406 58.497 58.100 -0.014 0.000 1.416 1304 Y CB -0.602 37.847 38.460 -0.018 0.000 1.210 1304 Y HN 0.420 nan 8.280 nan 0.000 0.528 1305 T N 2.497 116.965 114.554 -0.144 0.000 2.789 1305 T HA 0.396 4.746 4.350 -0.000 0.000 0.285 1305 T C 1.013 175.545 174.700 -0.280 0.000 1.051 1305 T CA -0.815 61.150 62.100 -0.225 0.000 1.013 1305 T CB 0.757 69.587 68.868 -0.064 0.000 1.292 1305 T HN 0.564 nan 8.240 nan 0.000 0.536 1306 L N 0.537 121.650 121.223 -0.182 0.000 2.042 1306 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 1306 L C 2.352 179.191 176.870 -0.052 0.000 1.076 1306 L CA 1.316 56.080 54.840 -0.127 0.000 0.749 1306 L CB -0.530 41.482 42.059 -0.078 0.000 0.893 1306 L HN 0.661 nan 8.230 nan 0.000 0.432 1307 N N -1.154 117.534 118.700 -0.020 0.000 2.422 1307 N HA -0.042 4.698 4.740 -0.000 0.000 0.181 1307 N C 1.634 177.180 175.510 0.061 0.000 1.080 1307 N CA 0.795 53.856 53.050 0.018 0.000 0.893 1307 N CB 0.084 38.581 38.487 0.017 0.000 0.973 1307 N HN 0.282 nan 8.380 nan 0.000 0.456 1308 T N 2.582 117.179 114.554 0.072 0.000 2.592 1308 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 1308 T C 1.978 176.752 174.700 0.124 0.000 1.060 1308 T CA 1.024 63.194 62.100 0.118 0.000 1.167 1308 T CB -0.099 68.840 68.868 0.119 0.000 0.863 1308 T HN 0.118 nan 8.240 nan 0.000 0.431 1309 I N 1.807 122.431 120.570 0.090 0.000 2.163 1309 I HA -0.149 4.020 4.170 -0.000 0.000 0.243 1309 I C 2.288 178.459 176.117 0.091 0.000 1.085 1309 I CA 1.500 62.842 61.300 0.069 0.000 1.347 1309 I CB -1.318 36.728 38.000 0.077 0.000 1.044 1309 I HN 0.227 nan 8.210 nan 0.000 0.408 1310 D N 0.912 121.358 120.400 0.076 0.000 2.104 1310 D HA -0.231 4.408 4.640 -0.000 0.000 0.194 1310 D C 2.062 178.397 176.300 0.059 0.000 0.994 1310 D CA 1.731 55.764 54.000 0.056 0.000 0.830 1310 D CB -0.217 40.605 40.800 0.038 0.000 0.959 1310 D HN 0.628 nan 8.370 nan 0.000 0.452 1311 E N -0.047 120.201 120.200 0.081 0.000 2.106 1311 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 1311 E C 1.773 178.379 176.600 0.011 0.000 0.984 1311 E CA 1.130 57.555 56.400 0.041 0.000 0.806 1311 E CB -0.464 29.256 29.700 0.033 0.000 0.750 1311 E HN 0.326 nan 8.360 nan 0.000 0.458 1312 H N 0.665 119.718 119.070 -0.028 0.000 2.456 1312 H HA 0.003 4.559 4.556 -0.000 0.000 0.296 1312 H C 1.940 177.232 175.328 -0.060 0.000 1.079 1312 H CA 1.611 57.631 56.048 -0.047 0.000 1.322 1312 H CB -0.095 29.640 29.762 -0.044 0.000 1.388 1312 H HN 0.165 nan 8.280 nan 0.000 0.538 1313 L N -0.218 121.037 121.223 0.053 0.000 2.012 1313 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 1313 L C 1.834 178.685 176.870 -0.033 0.000 1.073 1313 L CA 1.486 56.327 54.840 0.002 0.000 0.748 1313 L CB -0.288 41.777 42.059 0.010 0.000 0.891 1313 L HN 0.298 nan 8.230 nan 0.000 0.431 1314 D N -0.380 119.997 120.400 -0.038 0.000 2.213 1314 D HA -0.117 4.523 4.640 -0.000 0.000 0.205 1314 D C 2.203 178.454 176.300 -0.082 0.000 0.961 1314 D CA 0.874 54.843 54.000 -0.052 0.000 0.853 1314 D CB 0.162 40.936 40.800 -0.044 0.000 0.967 1314 D HN 0.316 nan 8.370 nan 0.000 0.496 1315 M N 0.526 120.054 119.600 -0.119 0.000 2.460 1315 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 1315 M C 1.712 177.927 176.300 -0.141 0.000 1.071 1315 M CA 0.753 55.956 55.300 -0.162 0.000 1.096 1315 M CB 0.301 32.740 32.600 -0.269 0.000 1.408 1315 M HN -0.017 nan 8.290 nan 0.000 0.463 1316 L N -0.041 121.112 121.223 -0.117 0.000 2.269 1316 L HA 0.162 4.502 4.340 -0.000 0.000 0.200 1316 L C 1.049 177.870 176.870 -0.081 0.000 1.069 1316 L CA 0.445 55.217 54.840 -0.113 0.000 0.804 1316 L CB -0.184 41.790 42.059 -0.141 0.000 0.987 1316 L HN 0.124 nan 8.230 nan 0.000 0.468 1332 F N 0.424 120.389 119.950 0.024 0.000 2.804 1332 F HA 0.585 5.112 4.527 -0.000 0.000 0.303 1332 F C 1.657 177.465 175.800 0.013 0.000 1.154 1332 F CA 0.569 58.582 58.000 0.022 0.000 1.401 1332 F CB -0.125 38.885 39.000 0.017 0.000 1.106 1332 F HN 0.215 nan 8.300 nan 0.000 0.568 1333 A N 1.416 124.171 122.820 -0.107 0.000 1.854 1333 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 1333 A C 2.089 179.606 177.584 -0.112 0.000 1.192 1333 A CA 1.310 53.210 52.037 -0.228 0.000 0.611 1333 A CB -0.652 18.289 19.000 -0.097 0.000 0.832 1333 A HN 0.523 nan 8.150 nan 0.000 0.442 1334 E N 0.329 120.523 120.200 -0.010 0.000 2.511 1334 E HA -0.058 4.292 4.350 -0.000 0.000 0.196 1334 E C 1.776 178.407 176.600 0.051 0.000 1.066 1334 E CA 0.743 57.162 56.400 0.031 0.000 0.871 1334 E CB -0.042 29.700 29.700 0.070 0.000 0.863 1334 E HN 0.779 nan 8.360 nan 0.000 0.520 1335 S N -0.384 115.323 115.700 0.012 0.000 2.497 1335 S HA 0.098 4.568 4.470 -0.000 0.000 0.221 1335 S C 1.860 176.368 174.600 -0.154 0.000 1.037 1335 S CA -0.254 57.933 58.200 -0.022 0.000 0.920 1335 S CB 0.319 63.568 63.200 0.080 0.000 0.800 1335 S HN 0.051 nan 8.310 nan 0.000 0.505 1336 R N 0.150 120.557 120.500 -0.154 0.000 2.090 1336 R HA 0.301 4.641 4.340 -0.000 0.000 0.219 1336 R C -0.133 176.068 176.300 -0.165 0.000 1.100 1336 R CA 0.563 56.550 56.100 -0.189 0.000 0.991 1336 R CB 0.087 30.217 30.300 -0.283 0.000 0.893 1336 R HN 0.325 nan 8.270 nan 0.000 0.443 1337 I N 2.757 123.247 120.570 -0.132 0.000 2.291 1337 I HA 0.188 4.358 4.170 -0.000 0.000 0.292 1337 I C -0.598 175.469 176.117 -0.084 0.000 1.064 1337 I CA 0.211 61.452 61.300 -0.098 0.000 1.269 1337 I CB 0.862 38.832 38.000 -0.050 0.000 1.418 1337 I HN 0.109 nan 8.210 nan 0.000 0.485 1338 R N 4.809 125.242 120.500 -0.112 0.000 2.502 1338 R HA 0.388 4.728 4.340 -0.000 0.000 0.300 1338 R C 1.036 177.273 176.300 -0.106 0.000 0.984 1338 R CA -0.769 55.289 56.100 -0.070 0.000 0.882 1338 R CB 2.438 32.665 30.300 -0.121 0.000 1.180 1338 R HN 0.445 nan 8.270 nan 0.000 0.444 1339 R N 1.811 122.268 120.500 -0.073 0.000 2.105 1339 R HA -0.197 4.143 4.340 -0.000 0.000 0.239 1339 R C 0.579 176.738 176.300 -0.234 0.000 1.135 1339 R CA 1.892 57.891 56.100 -0.167 0.000 0.967 1339 R CB 0.270 30.547 30.300 -0.037 0.000 0.861 1339 R HN 0.590 nan 8.270 nan 0.000 0.442 1340 E N -0.372 119.773 120.200 -0.090 0.000 2.023 1340 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 1340 E C 2.038 178.571 176.600 -0.112 0.000 1.003 1340 E CA 2.368 58.729 56.400 -0.066 0.000 0.809 1340 E CB -0.368 29.360 29.700 0.047 0.000 0.755 1340 E HN 0.559 nan 8.360 nan 0.000 0.449 1341 T N -0.923 113.569 114.554 -0.103 0.000 2.904 1341 T HA -0.036 4.314 4.350 -0.000 0.000 0.267 1341 T C 2.021 176.618 174.700 -0.171 0.000 1.059 1341 T CA 0.773 62.807 62.100 -0.110 0.000 1.137 1341 T CB -0.342 68.475 68.868 -0.085 0.000 0.879 1341 T HN 0.034 nan 8.240 nan 0.000 0.467 1342 I N 1.793 122.218 120.570 -0.241 0.000 2.179 1342 I HA -0.097 4.073 4.170 -0.000 0.000 0.242 1342 I C 3.189 179.077 176.117 -0.382 0.000 1.088 1342 I CA 1.236 62.352 61.300 -0.307 0.000 1.357 1342 I CB -0.566 37.203 38.000 -0.385 0.000 1.051 1342 I HN 0.337 nan 8.210 nan 0.000 0.409 1343 A N 0.653 123.150 122.820 -0.538 0.000 1.930 1343 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 1343 A C 2.518 180.001 177.584 -0.168 0.000 1.175 1343 A CA 1.699 53.484 52.037 -0.420 0.000 0.627 1343 A CB -0.715 18.057 19.000 -0.380 0.000 0.815 1343 A HN 0.431 nan 8.150 nan 0.000 0.443 1344 A N -0.220 122.502 122.820 -0.165 0.000 1.930 1344 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 1344 A C 1.985 179.458 177.584 -0.185 0.000 1.175 1344 A CA 1.721 53.681 52.037 -0.128 0.000 0.627 1344 A CB -0.560 18.376 19.000 -0.107 0.000 0.815 1344 A HN 0.687 nan 8.150 nan 0.000 0.443 1345 E N 0.034 120.086 120.200 -0.247 0.000 2.114 1345 E HA -0.301 4.049 4.350 -0.000 0.000 0.199 1345 E C 1.235 177.686 176.600 -0.248 0.000 1.008 1345 E CA 1.714 57.872 56.400 -0.405 0.000 0.810 1345 E CB -0.197 29.329 29.700 -0.289 0.000 0.739 1345 E HN 0.550 nan 8.360 nan 0.000 0.456 1346 D N -0.110 120.251 120.400 -0.065 0.000 2.097 1346 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 1346 D C 2.070 178.412 176.300 0.071 0.000 0.989 1346 D CA 1.358 55.396 54.000 0.062 0.000 0.827 1346 D CB -0.242 40.610 40.800 0.087 0.000 0.966 1346 D HN 0.139 nan 8.370 nan 0.000 0.456 1347 V N 0.913 120.832 119.914 0.009 0.000 2.358 1347 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 1347 V C 2.606 178.696 176.094 -0.008 0.000 1.047 1347 V CA 1.051 63.365 62.300 0.023 0.000 1.035 1347 V CB -0.541 31.283 31.823 0.003 0.000 0.658 1347 V HN 0.201 nan 8.190 nan 0.000 0.452 1348 L N -0.780 120.368 121.223 -0.125 0.000 2.187 1348 L HA -0.221 4.119 4.340 -0.000 0.000 0.213 1348 L C 2.462 179.247 176.870 -0.141 0.000 1.100 1348 L CA 1.718 56.453 54.840 -0.174 0.000 0.765 1348 L CB -0.709 41.117 42.059 -0.388 0.000 0.904 1348 L HN 0.424 nan 8.230 nan 0.000 0.437 1349 H N -1.051 117.938 119.070 -0.135 0.000 2.363 1349 H HA -0.172 4.384 4.556 -0.000 0.000 0.301 1349 H C 1.918 177.180 175.328 -0.110 0.000 1.074 1349 H CA 1.463 57.450 56.048 -0.101 0.000 1.354 1349 H CB 0.229 29.939 29.762 -0.086 0.000 1.397 1349 H HN 0.188 nan 8.280 nan 0.000 0.516 1350 D N -0.139 120.372 120.400 0.186 0.000 2.218 1350 D HA -0.094 4.546 4.640 -0.000 0.000 0.204 1350 D C 1.580 177.978 176.300 0.163 0.000 0.976 1350 D CA 0.674 54.826 54.000 0.254 0.000 0.853 1350 D CB 0.061 41.020 40.800 0.264 0.000 0.939 1350 D HN 0.338 nan 8.370 nan 0.000 0.481 1351 L N -1.526 119.757 121.223 0.101 0.000 2.529 1351 L HA 0.249 4.589 4.340 -0.000 0.000 0.223 1351 L C 1.521 178.445 176.870 0.090 0.000 1.113 1351 L CA 0.476 55.372 54.840 0.094 0.000 0.861 1351 L CB 0.112 42.208 42.059 0.063 0.000 1.012 1351 L HN 0.204 nan 8.230 nan 0.000 0.461 1352 G N -0.259 108.577 108.800 0.060 0.000 2.132 1352 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.228 1352 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.228 1352 G C 0.833 175.768 174.900 0.058 0.000 1.000 1352 G CA 0.340 45.474 45.100 0.057 0.000 0.693 1352 G HN 0.389 nan 8.290 nan 0.000 0.515 1353 A N -0.968 121.895 122.820 0.072 0.000 1.984 1353 A HA 0.653 4.972 4.320 -0.000 0.000 0.214 1353 A C 0.616 178.316 177.584 0.194 0.000 1.173 1353 A CA 0.761 52.869 52.037 0.120 0.000 0.673 1353 A CB 0.094 19.178 19.000 0.140 0.000 0.830 1353 A HN 0.592 nan 8.150 nan 0.000 0.453 1354 F N -0.006 119.811 119.950 -0.223 0.000 2.427 1354 F HA 0.421 4.948 4.527 -0.000 0.000 0.346 1354 F C 1.180 176.856 175.800 -0.207 0.000 1.120 1354 F CA -0.958 56.848 58.000 -0.324 0.000 1.033 1354 F CB 1.955 40.459 39.000 -0.826 0.000 1.126 1354 F HN -0.013 nan 8.300 nan 0.000 0.462 1355 S N 2.458 118.148 115.700 -0.017 0.000 2.492 1355 S HA 0.288 4.758 4.470 -0.000 0.000 0.218 1355 S C -0.008 174.619 174.600 0.046 0.000 1.016 1355 S CA 0.141 58.342 58.200 0.002 0.000 0.916 1355 S CB 0.258 63.426 63.200 -0.053 0.000 0.791 1355 S HN 0.254 nan 8.310 nan 0.000 0.513 1356 L N 1.095 122.383 121.223 0.108 0.000 2.303 1356 L HA 0.623 4.963 4.340 -0.000 0.000 0.256 1356 L C -0.161 176.869 176.870 0.267 0.000 1.034 1356 L CA -0.378 54.547 54.840 0.143 0.000 0.832 1356 L CB 1.744 43.853 42.059 0.083 0.000 1.403 1356 L HN 0.046 nan 8.230 nan 0.000 0.419 1357 T N -2.295 112.374 114.554 0.193 0.000 2.900 1357 T HA 0.916 5.266 4.350 -0.000 0.000 0.295 1357 T C -0.529 174.239 174.700 0.113 0.000 1.044 1357 T CA -0.515 61.676 62.100 0.152 0.000 0.995 1357 T CB 1.806 70.696 68.868 0.037 0.000 1.072 1357 T HN 0.789 nan 8.240 nan 0.000 0.473 1358 S N 0.647 116.389 115.700 0.071 0.000 2.776 1358 S HA 0.714 5.184 4.470 -0.000 0.000 0.292 1358 S C 0.912 175.477 174.600 -0.059 0.000 1.187 1358 S CA -0.070 58.140 58.200 0.017 0.000 0.834 1358 S CB 1.156 64.376 63.200 0.035 0.000 1.199 1358 S HN 1.170 nan 8.310 nan 0.000 0.514 1359 S N -0.004 115.627 115.700 -0.115 0.000 2.433 1359 S HA 0.247 4.717 4.470 -0.000 0.000 0.216 1359 S C 0.275 174.715 174.600 -0.267 0.000 1.031 1359 S CA 1.125 59.231 58.200 -0.158 0.000 0.931 1359 S CB -0.784 62.333 63.200 -0.139 0.000 0.875 1359 S HN 1.280 nan 8.310 nan 0.000 0.553 1360 D N 1.722 121.882 120.400 -0.400 0.000 2.813 1360 D HA -0.129 4.511 4.640 -0.000 0.000 0.241 1360 D C -0.474 175.664 176.300 -0.271 0.000 1.071 1360 D CA 0.688 54.332 54.000 -0.594 0.000 0.747 1360 D CB -1.893 38.493 40.800 -0.691 0.000 1.077 1360 D HN 0.637 nan 8.370 nan 0.000 0.436 1361 S N 0.996 116.600 115.700 -0.159 0.000 2.737 1361 S HA 0.060 4.530 4.470 -0.000 0.000 0.315 1361 S C 1.053 175.560 174.600 -0.155 0.000 1.236 1361 S CA 0.849 58.965 58.200 -0.141 0.000 1.093 1361 S CB 0.956 64.076 63.200 -0.134 0.000 0.832 1361 S HN 0.469 nan 8.310 nan 0.000 0.507 1362 Q N 0.020 119.724 119.800 -0.159 0.000 2.468 1362 Q HA -0.279 4.061 4.340 -0.000 0.000 0.256 1362 Q C 0.293 176.158 176.000 -0.225 0.000 0.984 1362 Q CA 1.044 56.754 55.803 -0.155 0.000 1.110 1362 Q CB -2.009 26.679 28.738 -0.083 0.000 1.527 1362 Q HN 1.207 nan 8.270 nan 0.000 0.535 1363 A N 0.192 122.818 122.820 -0.325 0.000 3.292 1363 A HA 0.570 4.890 4.320 -0.000 0.000 0.231 1363 A C 0.307 177.723 177.584 -0.280 0.000 0.952 1363 A CA 0.098 51.904 52.037 -0.384 0.000 1.044 1363 A CB 0.441 18.925 19.000 -0.861 0.000 1.236 1363 A HN 0.337 nan 8.150 nan 0.000 0.525 1364 M N -1.151 118.312 119.600 -0.227 0.000 2.692 1364 M HA -0.135 4.345 4.480 -0.000 0.000 0.201 1364 M C 0.124 176.309 176.300 -0.192 0.000 0.805 1364 M CA 1.024 56.201 55.300 -0.205 0.000 0.638 1364 M CB -1.408 31.088 32.600 -0.173 0.000 1.775 1364 M HN 1.335 nan 8.290 nan 0.000 0.821 1365 G N 0.797 109.483 108.800 -0.189 0.000 2.473 1365 G HA2 0.583 4.543 3.960 -0.000 0.000 0.298 1365 G HA3 0.583 4.543 3.960 -0.000 0.000 0.298 1365 G C -1.355 173.455 174.900 -0.151 0.000 1.575 1365 G CA -1.199 43.800 45.100 -0.169 0.000 0.846 1365 G HN 0.303 nan 8.290 nan 0.000 0.585 1366 R N 2.128 122.552 120.500 -0.127 0.000 2.272 1366 R HA 0.362 4.702 4.340 -0.000 0.000 0.323 1366 R C 1.088 177.320 176.300 -0.113 0.000 1.002 1366 R CA -0.707 55.322 56.100 -0.118 0.000 0.900 1366 R CB 1.951 32.183 30.300 -0.113 0.000 1.151 1366 R HN 0.348 nan 8.270 nan 0.000 0.507 1367 V N 2.768 122.616 119.914 -0.110 0.000 2.527 1367 V HA -0.188 3.932 4.120 -0.000 0.000 0.255 1367 V C 1.405 177.447 176.094 -0.086 0.000 1.081 1367 V CA 2.577 64.816 62.300 -0.102 0.000 1.092 1367 V CB -0.094 31.672 31.823 -0.094 0.000 0.673 1367 V HN 0.983 nan 8.190 nan 0.000 0.470 1368 G N -1.461 107.289 108.800 -0.084 0.000 3.502 1368 G HA2 0.191 4.151 3.960 -0.000 0.000 0.267 1368 G HA3 0.191 4.151 3.960 -0.000 0.000 0.267 1368 G C 0.684 175.540 174.900 -0.073 0.000 1.090 1368 G CA 0.066 45.123 45.100 -0.071 0.000 0.795 1368 G HN 0.598 nan 8.290 nan 0.000 0.535 1369 E N -0.051 120.094 120.200 -0.091 0.000 2.693 1369 E HA 0.130 4.480 4.350 -0.000 0.000 0.214 1369 E C 1.526 178.059 176.600 -0.111 0.000 0.990 1369 E CA -0.201 56.145 56.400 -0.092 0.000 1.047 1369 E CB 1.114 30.754 29.700 -0.100 0.000 1.039 1369 E HN 0.184 nan 8.360 nan 0.000 0.475 1370 V N 1.011 120.844 119.914 -0.134 0.000 2.261 1370 V HA -0.269 3.850 4.120 -0.000 0.000 0.246 1370 V C 2.171 178.080 176.094 -0.308 0.000 1.047 1370 V CA 1.635 63.829 62.300 -0.178 0.000 1.015 1370 V CB -0.285 31.444 31.823 -0.157 0.000 0.642 1370 V HN 0.356 nan 8.190 nan 0.000 0.446 1371 I N -0.416 119.913 120.570 -0.402 0.000 2.202 1371 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 1371 I C 2.459 178.415 176.117 -0.269 0.000 1.091 1371 I CA 1.565 62.492 61.300 -0.621 0.000 1.368 1371 I CB -0.378 37.336 38.000 -0.476 0.000 1.058 1371 I HN 0.294 nan 8.210 nan 0.000 0.410 1372 L N 1.081 122.234 121.223 -0.115 0.000 2.013 1372 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 1372 L C 2.859 179.729 176.870 -0.000 0.000 1.073 1372 L CA 1.754 56.589 54.840 -0.009 0.000 0.753 1372 L CB -0.285 41.780 42.059 0.010 0.000 0.890 1372 L HN 0.144 nan 8.230 nan 0.000 0.432 1373 R N -1.105 119.360 120.500 -0.058 0.000 2.115 1373 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 1373 R C 2.124 178.386 176.300 -0.064 0.000 1.111 1373 R CA 1.714 57.788 56.100 -0.043 0.000 0.976 1373 R CB -0.510 29.760 30.300 -0.050 0.000 0.870 1373 R HN 0.422 nan 8.270 nan 0.000 0.445 1374 T N -0.174 114.281 114.554 -0.165 0.000 2.788 1374 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 1374 T C 1.211 175.790 174.700 -0.202 0.000 1.044 1374 T CA 1.265 63.233 62.100 -0.219 0.000 1.139 1374 T CB -0.186 68.474 68.868 -0.347 0.000 0.867 1374 T HN 0.456 nan 8.240 nan 0.000 0.454 1375 W N 1.379 122.691 121.300 0.019 0.000 2.518 1375 W HA 0.044 4.704 4.660 -0.000 0.000 0.273 1375 W C 2.581 179.077 176.519 -0.039 0.000 1.247 1375 W CA -0.103 57.233 57.345 -0.016 0.000 1.288 1375 W CB -0.132 29.325 29.460 -0.006 0.000 1.107 1375 W HN 0.299 nan 8.180 nan 0.000 0.586 1376 Q N -0.089 119.811 119.800 0.167 0.000 2.172 1376 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 1376 Q C 2.132 178.203 176.000 0.118 0.000 0.964 1376 Q CA 1.397 57.276 55.803 0.128 0.000 0.855 1376 Q CB -0.374 28.410 28.738 0.077 0.000 0.918 1376 Q HN 0.177 nan 8.270 nan 0.000 0.444 1377 V N 0.882 120.831 119.914 0.059 0.000 2.358 1377 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 1377 V C 2.252 178.320 176.094 -0.042 0.000 1.047 1377 V CA 1.819 64.153 62.300 0.057 0.000 1.035 1377 V CB -0.925 30.960 31.823 0.103 0.000 0.658 1377 V HN 0.383 nan 8.190 nan 0.000 0.452 1378 A N -0.196 122.446 122.820 -0.296 0.000 1.902 1378 A HA -0.305 4.015 4.320 -0.000 0.000 0.217 1378 A C 2.114 179.604 177.584 -0.158 0.000 1.181 1378 A CA 2.357 54.023 52.037 -0.619 0.000 0.623 1378 A CB -0.865 17.660 19.000 -0.792 0.000 0.818 1378 A HN 0.782 nan 8.150 nan 0.000 0.443 1379 H N -0.549 118.477 119.070 -0.073 0.000 2.290 1379 H HA -0.082 4.474 4.556 -0.000 0.000 0.298 1379 H C 2.241 177.564 175.328 -0.008 0.000 1.087 1379 H CA 2.001 58.037 56.048 -0.020 0.000 1.291 1379 H CB -0.030 29.736 29.762 0.006 0.000 1.369 1379 H HN 0.226 nan 8.280 nan 0.000 0.492 1380 R N -0.234 120.238 120.500 -0.047 0.000 2.096 1380 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 1380 R C 2.267 178.523 176.300 -0.073 0.000 1.127 1380 R CA 1.307 57.364 56.100 -0.073 0.000 0.968 1380 R CB -0.352 29.982 30.300 0.057 0.000 0.861 1380 R HN 0.472 nan 8.270 nan 0.000 0.440 1381 M N 0.450 120.031 119.600 -0.032 0.000 2.200 1381 M HA -0.101 4.379 4.480 -0.000 0.000 0.265 1381 M C 2.128 178.417 176.300 -0.017 0.000 1.066 1381 M CA 1.246 56.551 55.300 0.009 0.000 1.127 1381 M CB -0.694 31.953 32.600 0.078 0.000 1.379 1381 M HN 0.063 nan 8.290 nan 0.000 0.420 1382 K N 0.473 120.836 120.400 -0.061 0.000 2.026 1382 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 1382 K C 1.821 178.381 176.600 -0.067 0.000 1.048 1382 K CA 1.312 57.572 56.287 -0.045 0.000 0.929 1382 K CB 0.016 32.487 32.500 -0.048 0.000 0.713 1382 K HN 0.089 nan 8.250 nan 0.000 0.439 1383 V N 1.550 121.375 119.914 -0.149 0.000 2.392 1383 V HA -0.254 3.866 4.120 -0.000 0.000 0.249 1383 V C 2.261 178.318 176.094 -0.061 0.000 1.059 1383 V CA 1.946 64.165 62.300 -0.135 0.000 1.051 1383 V CB -0.408 31.274 31.823 -0.236 0.000 0.658 1383 V HN 0.448 nan 8.190 nan 0.000 0.455 1384 Q N -0.851 118.923 119.800 -0.043 0.000 2.204 1384 Q HA 0.053 4.393 4.340 -0.000 0.000 0.198 1384 Q C 2.145 178.148 176.000 0.006 0.000 0.946 1384 Q CA 0.732 56.530 55.803 -0.009 0.000 0.859 1384 Q CB 0.136 28.879 28.738 0.007 0.000 0.946 1384 Q HN 0.577 nan 8.270 nan 0.000 0.474 1385 R N -0.430 120.077 120.500 0.012 0.000 2.404 1385 R HA 0.259 4.599 4.340 -0.000 0.000 0.237 1385 R C 0.689 177.004 176.300 0.026 0.000 0.907 1385 R CA 0.403 56.519 56.100 0.026 0.000 1.063 1385 R CB 1.184 31.510 30.300 0.044 0.000 1.134 1385 R HN 0.196 nan 8.270 nan 0.000 0.529 1386 G N 1.597 110.407 108.800 0.018 0.000 2.593 1386 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.237 1386 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.237 1386 G C -0.275 174.649 174.900 0.039 0.000 1.312 1386 G CA -0.418 44.694 45.100 0.021 0.000 0.896 1386 G HN 0.416 nan 8.290 nan 0.000 0.574 1387 A N -0.534 122.311 122.820 0.041 0.000 2.407 1387 A HA 0.639 4.959 4.320 -0.000 0.000 0.248 1387 A C 0.867 178.493 177.584 0.070 0.000 1.082 1387 A CA 0.160 52.232 52.037 0.058 0.000 0.785 1387 A CB 0.146 19.172 19.000 0.044 0.000 1.020 1387 A HN 1.181 nan 8.150 nan 0.000 0.489 1388 L N 1.254 122.540 121.223 0.105 0.000 2.453 1388 L HA 0.291 4.631 4.340 -0.000 0.000 0.261 1388 L C 1.799 178.699 176.870 0.049 0.000 1.179 1388 L CA -0.046 54.863 54.840 0.115 0.000 0.813 1388 L CB 0.872 43.066 42.059 0.224 0.000 1.110 1388 L HN 0.893 nan 8.230 nan 0.000 0.466 1389 A N 1.119 123.950 122.820 0.020 0.000 2.019 1389 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 1389 A C 1.789 179.313 177.584 -0.100 0.000 1.164 1389 A CA 1.332 53.353 52.037 -0.027 0.000 0.644 1389 A CB -0.362 18.625 19.000 -0.021 0.000 0.805 1389 A HN 0.863 nan 8.150 nan 0.000 0.449 1390 E N -0.043 120.037 120.200 -0.201 0.000 2.435 1390 E HA 0.069 4.419 4.350 -0.000 0.000 0.195 1390 E C 0.495 176.892 176.600 -0.338 0.000 1.029 1390 E CA 0.093 56.217 56.400 -0.460 0.000 0.865 1390 E CB 0.040 29.007 29.700 -1.223 0.000 0.833 1390 E HN 0.584 nan 8.360 nan 0.000 0.510 1391 E N 1.145 121.281 120.200 -0.107 0.000 2.384 1391 E HA 0.076 4.426 4.350 -0.000 0.000 0.266 1391 E C -0.517 176.078 176.600 -0.008 0.000 1.012 1391 E CA 0.045 56.453 56.400 0.014 0.000 0.901 1391 E CB 0.533 30.279 29.700 0.077 0.000 0.967 1391 E HN 0.078 nan 8.360 nan 0.000 0.435 1392 T N 1.073 115.637 114.554 0.017 0.000 2.876 1392 T HA 0.768 5.118 4.350 -0.000 0.000 0.289 1392 T C 0.359 175.072 174.700 0.022 0.000 1.014 1392 T CA -0.366 61.740 62.100 0.009 0.000 0.986 1392 T CB 1.494 70.366 68.868 0.007 0.000 1.021 1392 T HN 0.820 nan 8.240 nan 0.000 0.458 1393 G N 1.586 110.391 108.800 0.010 0.000 2.855 1393 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.352 1393 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.352 1393 G C -0.703 174.197 174.900 0.000 0.000 1.415 1393 G CA -0.240 44.863 45.100 0.005 0.000 0.871 1393 G HN 1.084 nan 8.290 nan 0.000 0.543 1394 D N 1.473 121.863 120.400 -0.017 0.000 2.639 1394 D HA 0.445 5.085 4.640 -0.000 0.000 0.233 1394 D C 0.712 176.991 176.300 -0.034 0.000 1.161 1394 D CA 0.337 54.316 54.000 -0.035 0.000 1.003 1394 D CB -0.432 40.328 40.800 -0.067 0.000 1.034 1394 D HN 0.717 nan 8.370 nan 0.000 0.514 1395 N N -0.208 118.498 118.700 0.011 0.000 3.116 1395 N HA 0.168 4.908 4.740 -0.000 0.000 0.244 1395 N C -1.029 174.529 175.510 0.081 0.000 1.485 1395 N CA -0.726 52.354 53.050 0.049 0.000 0.884 1395 N CB 1.166 39.684 38.487 0.053 0.000 1.415 1395 N HN -0.154 nan 8.380 nan 0.000 0.524 1396 D N -0.210 120.253 120.400 0.105 0.000 2.559 1396 D HA 0.133 4.773 4.640 -0.000 0.000 0.234 1396 D C 0.246 176.604 176.300 0.097 0.000 1.226 1396 D CA -0.217 53.847 54.000 0.107 0.000 0.830 1396 D CB -0.028 40.834 40.800 0.104 0.000 1.028 1396 D HN 0.365 nan 8.370 nan 0.000 0.492 1397 N N 0.697 119.451 118.700 0.089 0.000 2.061 1397 N HA -0.196 4.544 4.740 -0.000 0.000 0.193 1397 N C 1.401 176.959 175.510 0.081 0.000 1.030 1397 N CA 0.873 53.965 53.050 0.070 0.000 0.856 1397 N CB -0.421 38.109 38.487 0.072 0.000 1.023 1397 N HN 0.268 nan 8.380 nan 0.000 0.424 1398 F N 1.454 121.412 119.950 0.013 0.000 2.146 1398 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 1398 F C 2.534 178.356 175.800 0.036 0.000 1.096 1398 F CA 1.085 59.073 58.000 -0.021 0.000 1.275 1398 F CB -0.048 38.936 39.000 -0.026 0.000 1.008 1398 F HN -0.076 nan 8.300 nan 0.000 0.480 1399 R N -0.009 120.555 120.500 0.107 0.000 2.096 1399 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 1399 R C 2.012 178.420 176.300 0.180 0.000 1.127 1399 R CA 1.845 58.033 56.100 0.146 0.000 0.968 1399 R CB -0.593 29.815 30.300 0.180 0.000 0.861 1399 R HN 0.287 nan 8.270 nan 0.000 0.440 1400 V N 1.306 121.312 119.914 0.152 0.000 2.343 1400 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 1400 V C 2.149 178.384 176.094 0.235 0.000 1.051 1400 V CA 2.019 64.499 62.300 0.300 0.000 1.036 1400 V CB -0.378 31.504 31.823 0.099 0.000 0.654 1400 V HN 0.378 nan 8.190 nan 0.000 0.451 1401 K N -0.232 120.148 120.400 -0.034 0.000 2.097 1401 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 1401 K C 2.355 178.879 176.600 -0.127 0.000 1.050 1401 K CA 1.403 57.625 56.287 -0.109 0.000 0.938 1401 K CB -0.222 32.099 32.500 -0.298 0.000 0.718 1401 K HN 0.354 nan 8.250 nan 0.000 0.442 1402 R N 0.048 120.338 120.500 -0.351 0.000 2.075 1402 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 1402 R C 1.681 177.908 176.300 -0.123 0.000 1.126 1402 R CA 1.488 57.435 56.100 -0.255 0.000 0.963 1402 R CB -0.195 29.901 30.300 -0.340 0.000 0.858 1402 R HN 0.172 nan 8.270 nan 0.000 0.435 1403 Y N 0.203 120.423 120.300 -0.133 0.000 2.337 1403 Y HA -0.026 4.524 4.550 -0.000 0.000 0.293 1403 Y C 2.083 177.755 175.900 -0.379 0.000 1.123 1403 Y CA 1.017 58.964 58.100 -0.256 0.000 1.201 1403 Y CB -0.033 38.191 38.460 -0.393 0.000 1.011 1403 Y HN 0.097 nan 8.280 nan 0.000 0.545 1404 I N -0.584 119.928 120.570 -0.097 0.000 2.546 1404 I HA -0.218 3.952 4.170 -0.000 0.000 0.255 1404 I C 2.255 178.140 176.117 -0.388 0.000 1.163 1404 I CA 1.034 62.181 61.300 -0.253 0.000 1.457 1404 I CB -0.084 38.004 38.000 0.147 0.000 1.092 1404 I HN 0.179 nan 8.210 nan 0.000 0.434 1405 A N 0.640 123.374 122.820 -0.144 0.000 2.015 1405 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 1405 A C 2.180 179.682 177.584 -0.137 0.000 1.163 1405 A CA 1.323 53.299 52.037 -0.102 0.000 0.646 1405 A CB -0.410 18.581 19.000 -0.016 0.000 0.806 1405 A HN 0.406 nan 8.150 nan 0.000 0.448 1406 K N -1.307 119.007 120.400 -0.144 0.000 2.209 1406 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 1406 K C 1.020 177.648 176.600 0.047 0.000 1.048 1406 K CA 1.695 57.955 56.287 -0.045 0.000 0.940 1406 K CB -0.251 32.222 32.500 -0.044 0.000 0.729 1406 K HN 0.919 nan 8.250 nan 0.000 0.451 1407 Y N -1.642 118.644 120.300 -0.025 0.000 2.641 1407 Y HA 0.284 4.834 4.550 -0.000 0.000 0.248 1407 Y C 1.027 176.958 175.900 0.052 0.000 1.170 1407 Y CA -0.268 57.836 58.100 0.006 0.000 1.201 1407 Y CB -0.208 38.240 38.460 -0.020 0.000 1.232 1407 Y HN -0.065 nan 8.280 nan 0.000 0.537 1408 T N -2.821 111.677 114.554 -0.095 0.000 3.409 1408 T HA 0.128 4.478 4.350 -0.000 0.000 0.188 1408 T C 1.285 175.997 174.700 0.021 0.000 0.929 1408 T CA 0.634 62.726 62.100 -0.014 0.000 1.184 1408 T CB -0.741 68.087 68.868 -0.067 0.000 1.570 1408 T HN 0.090 nan 8.240 nan 0.000 0.367 1409 I N 3.091 123.659 120.570 -0.003 0.000 2.252 1409 I HA -0.022 4.148 4.170 -0.000 0.000 0.245 1409 I C 1.955 178.038 176.117 -0.057 0.000 1.102 1409 I CA 1.387 62.671 61.300 -0.027 0.000 1.385 1409 I CB -0.846 37.078 38.000 -0.127 0.000 1.064 1409 I HN 0.252 nan 8.210 nan 0.000 0.414 1410 N N 0.810 119.466 118.700 -0.074 0.000 2.069 1410 N HA -0.123 4.617 4.740 -0.000 0.000 0.191 1410 N C -0.728 174.756 175.510 -0.044 0.000 1.031 1410 N CA 1.904 54.910 53.050 -0.073 0.000 0.852 1410 N CB -1.935 36.508 38.487 -0.073 0.000 1.018 1410 N HN 0.315 nan 8.380 nan 0.000 0.423 1411 P HA -0.025 nan 4.420 nan 0.000 0.217 1411 P C 1.026 178.360 177.300 0.057 0.000 1.150 1411 P CA 1.469 64.597 63.100 0.047 0.000 0.832 1411 P CB -0.039 31.710 31.700 0.083 0.000 0.787 1412 A N -0.791 122.045 122.820 0.026 0.000 1.933 1412 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 1412 A C 2.164 179.755 177.584 0.010 0.000 1.175 1412 A CA 1.362 53.407 52.037 0.012 0.000 0.628 1412 A CB -1.582 17.430 19.000 0.020 0.000 0.814 1412 A HN 0.112 nan 8.150 nan 0.000 0.444 1413 L N -0.978 120.239 121.223 -0.011 0.000 2.044 1413 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 1413 L C 2.750 179.590 176.870 -0.050 0.000 1.075 1413 L CA 1.663 56.487 54.840 -0.027 0.000 0.747 1413 L CB -0.950 41.075 42.059 -0.056 0.000 0.903 1413 L HN 0.314 nan 8.230 nan 0.000 0.435 1414 T N -1.878 112.631 114.554 -0.075 0.000 2.737 1414 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 1414 T C 1.353 175.913 174.700 -0.232 0.000 1.040 1414 T CA 1.258 63.258 62.100 -0.167 0.000 1.142 1414 T CB -0.258 68.472 68.868 -0.232 0.000 0.861 1414 T HN 0.377 nan 8.240 nan 0.000 0.456 1415 H N -0.493 118.542 119.070 -0.058 0.000 2.505 1415 H HA 0.362 4.918 4.556 -0.000 0.000 0.286 1415 H C 1.526 176.818 175.328 -0.061 0.000 1.072 1415 H CA 0.212 56.231 56.048 -0.047 0.000 1.141 1415 H CB 0.201 29.937 29.762 -0.045 0.000 1.550 1415 H HN 0.473 nan 8.280 nan 0.000 0.547 1416 G N 2.490 111.305 108.800 0.025 0.000 2.273 1416 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.280 1416 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.280 1416 G C 0.791 175.768 174.900 0.128 0.000 1.047 1416 G CA 0.801 45.935 45.100 0.056 0.000 0.869 1416 G HN 0.652 nan 8.290 nan 0.000 0.502 1417 I N -4.358 116.235 120.570 0.038 0.000 4.225 1417 I HA 0.663 4.833 4.170 -0.000 0.000 0.327 1417 I C 1.696 177.771 176.117 -0.069 0.000 1.422 1417 I CA 0.287 61.523 61.300 -0.106 0.000 1.150 1417 I CB 0.402 38.060 38.000 -0.570 0.000 1.192 1417 I HN 0.134 nan 8.210 nan 0.000 0.440 1418 A N 1.807 124.675 122.820 0.079 0.000 2.248 1418 A HA -0.112 4.208 4.320 -0.000 0.000 0.210 1418 A C 2.005 179.660 177.584 0.119 0.000 1.174 1418 A CA 1.268 53.350 52.037 0.076 0.000 0.750 1418 A CB -1.093 17.947 19.000 0.067 0.000 0.780 1418 A HN 0.768 nan 8.150 nan 0.000 0.478 1419 H N -2.129 116.981 119.070 0.066 0.000 2.551 1419 H HA 0.196 4.752 4.556 -0.000 0.000 0.266 1419 H C 0.820 176.208 175.328 0.101 0.000 0.964 1419 H CA 0.918 57.010 56.048 0.073 0.000 1.180 1419 H CB 0.139 29.939 29.762 0.063 0.000 1.408 1419 H HN 0.479 nan 8.280 nan 0.000 0.563 1420 E N 1.184 121.232 120.200 -0.255 0.000 2.288 1420 E HA 0.142 4.492 4.350 -0.000 0.000 0.200 1420 E C 1.232 177.852 176.600 0.032 0.000 0.880 1420 E CA 0.845 57.180 56.400 -0.109 0.000 0.971 1420 E CB 1.129 30.772 29.700 -0.095 0.000 0.954 1420 E HN 0.358 nan 8.360 nan 0.000 0.489 1421 V N -4.557 115.390 119.914 0.054 0.000 3.084 1421 V HA 0.856 4.976 4.120 -0.000 0.000 0.311 1421 V C 0.897 177.051 176.094 0.099 0.000 1.311 1421 V CA -0.162 62.200 62.300 0.103 0.000 1.062 1421 V CB 1.121 33.032 31.823 0.146 0.000 1.113 1421 V HN 0.337 nan 8.190 nan 0.000 0.468 1422 G N -0.037 108.835 108.800 0.120 0.000 2.259 1422 G HA2 0.032 3.992 3.960 -0.000 0.000 0.217 1422 G HA3 0.032 3.992 3.960 -0.000 0.000 0.217 1422 G C 0.295 175.294 174.900 0.164 0.000 1.001 1422 G CA 0.698 45.870 45.100 0.119 0.000 0.627 1422 G HN 2.409 nan 8.290 nan 0.000 0.501 1423 S N -1.047 114.774 115.700 0.201 0.000 2.615 1423 S HA 0.689 5.159 4.470 -0.000 0.000 0.269 1423 S C -0.627 174.132 174.600 0.266 0.000 1.161 1423 S CA -0.696 57.669 58.200 0.276 0.000 0.817 1423 S CB 1.372 64.827 63.200 0.425 0.000 1.131 1423 S HN 0.735 nan 8.310 nan 0.000 0.467 1424 I N 1.647 122.414 120.570 0.329 0.000 2.224 1424 I HA 0.346 4.515 4.170 -0.000 0.000 0.293 1424 I C -0.022 176.307 176.117 0.354 0.000 1.155 1424 I CA 0.208 61.703 61.300 0.325 0.000 1.297 1424 I CB -0.382 37.820 38.000 0.336 0.000 1.487 1424 I HN 0.582 nan 8.210 nan 0.000 0.564 1425 E N 3.310 123.632 120.200 0.203 0.000 2.343 1425 E HA 0.406 4.756 4.350 -0.000 0.000 0.270 1425 E C -0.813 175.812 176.600 0.042 0.000 0.895 1425 E CA -1.016 55.428 56.400 0.072 0.000 0.767 1425 E CB 3.130 32.864 29.700 0.056 0.000 1.248 1425 E HN 0.046 nan 8.360 nan 0.000 0.440 1426 V N 1.866 121.765 119.914 -0.026 0.000 2.617 1426 V HA 0.125 4.245 4.120 -0.000 0.000 0.304 1426 V C 1.397 177.486 176.094 -0.009 0.000 1.040 1426 V CA 1.978 64.256 62.300 -0.037 0.000 1.149 1426 V CB 0.284 32.040 31.823 -0.112 0.000 0.914 1426 V HN 1.109 nan 8.190 nan 0.000 0.487 1427 G N 3.780 112.587 108.800 0.013 0.000 2.241 1427 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 1427 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 1427 G C 0.312 175.246 174.900 0.057 0.000 0.998 1427 G CA 0.206 45.326 45.100 0.032 0.000 0.621 1427 G HN 0.609 nan 8.290 nan 0.000 0.519 1428 K N 0.032 120.472 120.400 0.068 0.000 2.126 1428 K HA 0.577 4.897 4.320 -0.000 0.000 0.257 1428 K C 0.326 176.973 176.600 0.079 0.000 1.007 1428 K CA -0.887 55.446 56.287 0.078 0.000 0.928 1428 K CB 1.310 33.868 32.500 0.097 0.000 1.013 1428 K HN 0.163 nan 8.250 nan 0.000 0.473 1429 L N 1.738 123.004 121.223 0.072 0.000 2.490 1429 L HA 0.003 4.343 4.340 -0.000 0.000 0.274 1429 L C -0.221 176.701 176.870 0.085 0.000 1.201 1429 L CA 0.689 55.569 54.840 0.066 0.000 0.869 1429 L CB 0.426 42.518 42.059 0.054 0.000 1.123 1429 L HN 0.722 nan 8.230 nan 0.000 0.484 1430 A N 4.160 127.029 122.820 0.083 0.000 2.981 1430 A HA 0.227 4.547 4.320 -0.000 0.000 0.280 1430 A C -0.490 177.145 177.584 0.086 0.000 1.743 1430 A CA -0.374 51.718 52.037 0.091 0.000 1.430 1430 A CB -0.998 18.055 19.000 0.088 0.000 1.085 1430 A HN 0.681 nan 8.150 nan 0.000 0.597 1431 D N 2.169 122.628 120.400 0.098 0.000 2.472 1431 D HA 0.517 5.157 4.640 -0.000 0.000 0.234 1431 D C -0.419 175.945 176.300 0.106 0.000 1.088 1431 D CA 0.333 54.390 54.000 0.095 0.000 0.882 1431 D CB 0.995 41.859 40.800 0.108 0.000 1.037 1431 D HN 0.423 nan 8.370 nan 0.000 0.520 1432 L N 0.668 121.943 121.223 0.085 0.000 2.341 1432 L HA 0.676 5.016 4.340 -0.000 0.000 0.267 1432 L C -0.407 176.481 176.870 0.030 0.000 1.009 1432 L CA -1.242 53.651 54.840 0.090 0.000 0.819 1432 L CB 2.415 44.531 42.059 0.095 0.000 1.323 1432 L HN -0.128 nan 8.230 nan 0.000 0.425 1433 V N 2.032 121.956 119.914 0.016 0.000 2.483 1433 V HA 0.405 4.525 4.120 -0.000 0.000 0.297 1433 V C -0.238 175.703 176.094 -0.255 0.000 1.027 1433 V CA -0.683 61.493 62.300 -0.206 0.000 0.855 1433 V CB 2.113 33.738 31.823 -0.331 0.000 0.995 1433 V HN 0.420 nan 8.190 nan 0.000 0.424 1434 V N 4.158 123.901 119.914 -0.286 0.000 2.439 1434 V HA 0.504 4.623 4.120 -0.000 0.000 0.282 1434 V C -0.751 175.234 176.094 -0.182 0.000 1.039 1434 V CA -0.427 61.808 62.300 -0.108 0.000 0.913 1434 V CB 1.230 33.036 31.823 -0.028 0.000 0.983 1434 V HN 0.908 nan 8.190 nan 0.000 0.460 1435 W N 1.852 123.233 121.300 0.134 0.000 2.864 1435 W HA 0.646 5.306 4.660 -0.000 0.000 0.343 1435 W C 0.174 176.789 176.519 0.160 0.000 1.109 1435 W CA -0.676 56.764 57.345 0.157 0.000 1.192 1435 W CB 1.747 31.352 29.460 0.242 0.000 1.426 1435 W HN 0.448 nan 8.180 nan 0.000 0.529 1436 S N 1.952 117.917 115.700 0.441 0.000 2.508 1436 S HA 0.342 4.812 4.470 -0.000 0.000 0.284 1436 S C -1.581 173.213 174.600 0.322 0.000 1.192 1436 S CA -1.394 57.001 58.200 0.325 0.000 1.070 1436 S CB 1.151 64.557 63.200 0.344 0.000 1.004 1436 S HN 0.202 nan 8.310 nan 0.000 0.493 1437 P HA -0.134 nan 4.420 nan 0.000 0.216 1437 P C 1.240 178.551 177.300 0.017 0.000 1.154 1437 P CA 1.795 64.924 63.100 0.047 0.000 0.865 1437 P CB 0.027 31.712 31.700 -0.025 0.000 0.789 1438 A N -2.178 120.662 122.820 0.033 0.000 2.019 1438 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 1438 A C 1.352 178.792 177.584 -0.239 0.000 1.164 1438 A CA 1.321 53.279 52.037 -0.131 0.000 0.644 1438 A CB -1.362 17.520 19.000 -0.197 0.000 0.805 1438 A HN 0.194 nan 8.150 nan 0.000 0.449 1439 F N -2.219 117.812 119.950 0.136 0.000 2.698 1439 F HA 0.327 4.854 4.527 -0.000 0.000 0.304 1439 F C 0.273 176.083 175.800 0.016 0.000 1.108 1439 F CA -1.157 56.884 58.000 0.069 0.000 1.263 1439 F CB 0.043 39.135 39.000 0.154 0.000 1.013 1439 F HN 0.161 nan 8.300 nan 0.000 0.532 1440 F N 1.413 121.309 119.950 -0.091 0.000 2.623 1440 F HA 0.343 4.870 4.527 -0.000 0.000 0.383 1440 F C 1.400 176.790 175.800 -0.684 0.000 1.077 1440 F CA 0.972 58.697 58.000 -0.458 0.000 1.268 1440 F CB 0.519 39.175 39.000 -0.573 0.000 1.053 1440 F HN 0.321 nan 8.300 nan 0.000 0.571 1441 G N 3.406 110.942 108.800 -2.107 0.000 2.196 1441 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.268 1441 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.268 1441 G C 0.502 175.186 174.900 -0.360 0.000 0.975 1441 G CA 0.569 44.909 45.100 -1.266 0.000 0.648 1441 G HN 0.769 nan 8.290 nan 0.000 0.538 1442 V N -0.940 118.881 119.914 -0.155 0.000 2.870 1442 V HA 0.377 4.497 4.120 -0.000 0.000 0.232 1442 V C 0.969 177.167 176.094 0.174 0.000 1.161 1442 V CA 1.718 63.996 62.300 -0.036 0.000 1.204 1442 V CB 0.415 31.978 31.823 -0.433 0.000 1.003 1442 V HN 0.257 nan 8.190 nan 0.000 0.499 1443 K N 2.131 122.704 120.400 0.288 0.000 2.640 1443 K HA 0.398 4.718 4.320 -0.000 0.000 0.245 1443 K C -2.898 173.899 176.600 0.329 0.000 0.962 1443 K CA -1.573 54.879 56.287 0.275 0.000 0.896 1443 K CB 2.546 35.163 32.500 0.195 0.000 1.147 1443 K HN 0.208 nan 8.250 nan 0.000 0.445 1444 P HA 0.068 nan 4.420 nan 0.000 0.274 1444 P C -0.084 177.182 177.300 -0.056 0.000 1.231 1444 P CA -0.175 62.777 63.100 -0.247 0.000 0.790 1444 P CB 1.639 32.809 31.700 -0.883 0.000 0.951 1445 A N 2.714 125.465 122.820 -0.116 0.000 1.935 1445 A HA 0.126 4.446 4.320 -0.000 0.000 0.214 1445 A C 0.697 178.212 177.584 -0.115 0.000 1.178 1445 A CA 1.339 53.318 52.037 -0.098 0.000 0.640 1445 A CB -0.517 18.462 19.000 -0.035 0.000 0.825 1445 A HN 0.624 nan 8.150 nan 0.000 0.447 1446 T N -0.934 113.535 114.554 -0.142 0.000 3.041 1446 T HA 0.498 4.848 4.350 -0.000 0.000 0.321 1446 T C -1.333 173.286 174.700 -0.136 0.000 1.184 1446 T CA -0.414 61.623 62.100 -0.105 0.000 1.050 1446 T CB 1.962 70.789 68.868 -0.069 0.000 1.159 1446 T HN 0.019 nan 8.240 nan 0.000 0.469 1447 V N 3.865 123.731 119.914 -0.079 0.000 2.376 1447 V HA 0.488 4.608 4.120 -0.000 0.000 0.287 1447 V C -0.372 175.709 176.094 -0.022 0.000 1.015 1447 V CA -0.719 61.538 62.300 -0.072 0.000 0.834 1447 V CB 1.034 32.823 31.823 -0.056 0.000 1.001 1447 V HN 0.787 nan 8.190 nan 0.000 0.428 1448 I N 5.350 125.915 120.570 -0.008 0.000 2.312 1448 I HA 0.439 4.609 4.170 -0.000 0.000 0.290 1448 I C 0.103 176.243 176.117 0.038 0.000 1.008 1448 I CA -0.516 60.796 61.300 0.020 0.000 1.226 1448 I CB 1.149 39.166 38.000 0.027 0.000 1.371 1448 I HN 0.321 nan 8.210 nan 0.000 0.468 1449 K N 4.568 124.993 120.400 0.042 0.000 2.265 1449 K HA 0.317 4.637 4.320 -0.000 0.000 0.267 1449 K C 0.627 177.260 176.600 0.056 0.000 0.994 1449 K CA -0.333 55.984 56.287 0.050 0.000 0.860 1449 K CB 1.589 34.117 32.500 0.045 0.000 1.099 1449 K HN 0.868 nan 8.250 nan 0.000 0.448 1450 G N 2.058 110.892 108.800 0.057 0.000 2.379 1450 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.297 1450 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.297 1450 G C 0.806 175.751 174.900 0.075 0.000 1.004 1450 G CA 1.336 46.471 45.100 0.058 0.000 0.921 1450 G HN 1.058 nan 8.290 nan 0.000 0.511 1451 G N -2.163 106.677 108.800 0.067 0.000 2.176 1451 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.232 1451 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.232 1451 G C 0.242 175.172 174.900 0.050 0.000 0.986 1451 G CA 0.742 45.879 45.100 0.061 0.000 0.643 1451 G HN 1.039 nan 8.290 nan 0.000 0.522 1452 M N 0.468 120.101 119.600 0.055 0.000 2.464 1452 M HA 0.517 4.997 4.480 -0.000 0.000 0.308 1452 M C 0.143 176.472 176.300 0.049 0.000 1.127 1452 M CA -0.866 54.465 55.300 0.052 0.000 0.913 1452 M CB 2.262 34.901 32.600 0.065 0.000 1.689 1452 M HN 0.035 nan 8.290 nan 0.000 0.445 1453 I N 2.074 122.673 120.570 0.050 0.000 2.581 1453 I HA 0.025 4.195 4.170 -0.000 0.000 0.285 1453 I C 1.002 177.142 176.117 0.039 0.000 1.129 1453 I CA 0.064 61.386 61.300 0.036 0.000 1.397 1453 I CB 0.885 38.905 38.000 0.033 0.000 1.399 1453 I HN 0.886 nan 8.210 nan 0.000 0.537 1454 A N 7.501 130.335 122.820 0.023 0.000 1.956 1454 A HA 0.319 4.639 4.320 -0.000 0.000 0.212 1454 A C 0.790 178.374 177.584 -0.000 0.000 1.188 1454 A CA 0.766 52.812 52.037 0.015 0.000 0.675 1454 A CB 0.375 19.388 19.000 0.021 0.000 0.845 1454 A HN 0.669 nan 8.150 nan 0.000 0.455 1455 I N -2.182 118.392 120.570 0.008 0.000 2.842 1455 I HA 0.595 4.765 4.170 -0.000 0.000 0.297 1455 I C -1.474 174.667 176.117 0.040 0.000 1.380 1455 I CA -0.587 60.728 61.300 0.027 0.000 1.018 1455 I CB 2.136 40.173 38.000 0.062 0.000 1.311 1455 I HN 0.268 nan 8.210 nan 0.000 0.439 1456 A N 6.823 129.652 122.820 0.015 0.000 2.601 1456 A HA 0.812 5.132 4.320 -0.000 0.000 0.291 1456 A C -3.085 174.319 177.584 -0.300 0.000 1.075 1456 A CA -1.090 50.897 52.037 -0.083 0.000 0.671 1456 A CB 1.836 20.775 19.000 -0.103 0.000 1.277 1456 A HN 0.330 nan 8.150 nan 0.000 0.417 1457 P HA 0.439 nan 4.420 nan 0.000 0.276 1457 P C -0.908 176.153 177.300 -0.398 0.000 1.230 1457 P CA 0.148 62.801 63.100 -0.746 0.000 0.776 1457 P CB 0.947 32.141 31.700 -0.844 0.000 0.888 1458 M N 3.124 122.506 119.600 -0.362 0.000 2.326 1458 M HA 0.575 5.055 4.480 -0.000 0.000 0.292 1458 M C -0.154 175.983 176.300 -0.271 0.000 1.081 1458 M CA -0.406 54.730 55.300 -0.274 0.000 0.919 1458 M CB 1.847 34.300 32.600 -0.246 0.000 1.634 1458 M HN 0.447 nan 8.290 nan 0.000 0.451 1459 G N 1.205 109.898 108.800 -0.178 0.000 2.508 1459 G HA2 0.210 4.170 3.960 -0.000 0.000 0.278 1459 G HA3 0.210 4.170 3.960 -0.000 0.000 0.278 1459 G C -0.848 173.990 174.900 -0.104 0.000 1.389 1459 G CA -0.558 44.466 45.100 -0.127 0.000 1.050 1459 G HN 0.736 nan 8.290 nan 0.000 0.522 1460 D N 0.002 120.369 120.400 -0.055 0.000 2.570 1460 D HA -0.093 4.547 4.640 -0.000 0.000 0.243 1460 D C 1.792 178.069 176.300 -0.039 0.000 1.171 1460 D CA -0.282 53.700 54.000 -0.031 0.000 0.879 1460 D CB 0.288 41.080 40.800 -0.014 0.000 1.143 1460 D HN 0.053 nan 8.370 nan 0.000 0.511 1461 I N 3.630 124.178 120.570 -0.037 0.000 2.361 1461 I HA -0.221 3.949 4.170 -0.000 0.000 0.251 1461 I C 1.826 177.932 176.117 -0.018 0.000 1.133 1461 I CA 0.979 62.258 61.300 -0.035 0.000 1.413 1461 I CB -1.098 36.883 38.000 -0.032 0.000 1.073 1461 I HN 0.437 nan 8.210 nan 0.000 0.424 1462 N N 0.882 119.575 118.700 -0.011 0.000 2.336 1462 N HA 0.138 4.878 4.740 -0.000 0.000 0.189 1462 N C 0.685 176.191 175.510 -0.006 0.000 1.113 1462 N CA 0.151 53.198 53.050 -0.005 0.000 0.858 1462 N CB 0.267 38.753 38.487 -0.001 0.000 0.970 1462 N HN 0.269 nan 8.380 nan 0.000 0.471 1463 A N -0.401 122.412 122.820 -0.011 0.000 2.386 1463 A HA 0.222 4.542 4.320 -0.000 0.000 0.246 1463 A C 1.432 179.011 177.584 -0.009 0.000 1.089 1463 A CA 0.287 52.318 52.037 -0.011 0.000 0.790 1463 A CB 0.015 19.006 19.000 -0.016 0.000 1.042 1463 A HN 0.473 nan 8.150 nan 0.000 0.497 1464 S N -0.118 115.577 115.700 -0.008 0.000 2.481 1464 S HA 0.122 4.592 4.470 -0.000 0.000 0.231 1464 S C 0.604 175.200 174.600 -0.007 0.000 0.996 1464 S CA 1.024 59.221 58.200 -0.006 0.000 0.942 1464 S CB -0.913 62.284 63.200 -0.006 0.000 0.768 1464 S HN 0.832 nan 8.310 nan 0.000 0.520 1465 I N -2.997 117.566 120.570 -0.012 0.000 3.095 1465 I HA 0.457 4.627 4.170 -0.000 0.000 0.310 1465 I C -2.587 173.516 176.117 -0.023 0.000 1.196 1465 I CA -2.808 58.483 61.300 -0.014 0.000 0.985 1465 I CB 1.836 39.828 38.000 -0.014 0.000 1.250 1465 I HN -0.342 nan 8.210 nan 0.000 0.446 1466 P HA -0.007 nan 4.420 nan 0.000 0.245 1466 P C 0.960 178.223 177.300 -0.062 0.000 1.212 1466 P CA 0.789 63.861 63.100 -0.047 0.000 0.774 1466 P CB 0.047 31.721 31.700 -0.045 0.000 0.999 1467 T N -4.450 110.075 114.554 -0.049 0.000 3.051 1467 T HA 0.210 4.560 4.350 -0.000 0.000 0.255 1467 T C -1.600 173.071 174.700 -0.047 0.000 1.085 1467 T CA -0.442 61.626 62.100 -0.054 0.000 1.109 1467 T CB -1.852 66.991 68.868 -0.041 0.000 0.921 1467 T HN 0.132 nan 8.240 nan 0.000 0.488 1468 P HA 0.202 nan 4.420 nan 0.000 0.269 1468 P C 0.095 177.379 177.300 -0.026 0.000 1.209 1468 P CA -0.206 62.879 63.100 -0.026 0.000 0.776 1468 P CB 0.388 32.077 31.700 -0.018 0.000 0.876 1469 Q N 2.714 122.506 119.800 -0.013 0.000 2.417 1469 Q HA 0.208 4.548 4.340 -0.000 0.000 0.241 1469 Q C -1.891 174.119 176.000 0.017 0.000 1.008 1469 Q CA -1.231 54.573 55.803 0.002 0.000 0.901 1469 Q CB -0.510 28.232 28.738 0.008 0.000 1.259 1469 Q HN 0.401 nan 8.270 nan 0.000 0.489 1470 P HA 0.203 nan 4.420 nan 0.000 0.284 1470 P C -0.855 176.493 177.300 0.080 0.000 1.253 1470 P CA -0.328 62.824 63.100 0.088 0.000 0.800 1470 P CB 0.894 32.680 31.700 0.144 0.000 0.961 1471 V N 4.853 124.793 119.914 0.042 0.000 2.347 1471 V HA 0.359 4.479 4.120 -0.000 0.000 0.280 1471 V C 0.078 176.176 176.094 0.007 0.000 1.021 1471 V CA -0.265 61.998 62.300 -0.062 0.000 0.847 1471 V CB 0.190 31.944 31.823 -0.114 0.000 0.990 1471 V HN 0.846 nan 8.190 nan 0.000 0.444 1472 H N 1.881 120.891 119.070 -0.099 0.000 3.012 1472 H HA 0.649 5.205 4.556 -0.000 0.000 0.367 1472 H C -1.482 173.794 175.328 -0.085 0.000 1.211 1472 H CA -1.137 54.887 56.048 -0.041 0.000 1.139 1472 H CB 0.789 30.578 29.762 0.045 0.000 1.838 1472 H HN 0.376 nan 8.280 nan 0.000 0.550 1473 Y N 1.492 121.826 120.300 0.057 0.000 2.650 1473 Y HA 0.191 4.741 4.550 -0.000 0.000 0.331 1473 Y C 0.597 176.490 175.900 -0.011 0.000 1.165 1473 Y CA 0.400 58.493 58.100 -0.012 0.000 1.473 1473 Y CB 0.393 38.860 38.460 0.011 0.000 1.224 1473 Y HN 0.408 nan 8.280 nan 0.000 0.533 1474 R N 4.906 125.409 120.500 0.006 0.000 2.686 1474 R HA 0.415 4.755 4.340 -0.000 0.000 0.283 1474 R C -2.867 173.410 176.300 -0.039 0.000 0.978 1474 R CA -2.315 53.768 56.100 -0.028 0.000 0.897 1474 R CB 1.723 31.939 30.300 -0.141 0.000 1.192 1474 R HN 0.347 nan 8.270 nan 0.000 0.457 1475 P HA 0.054 nan 4.420 nan 0.000 0.271 1475 P C -0.593 176.616 177.300 -0.152 0.000 1.216 1475 P CA 0.068 63.129 63.100 -0.065 0.000 0.776 1475 P CB 0.790 32.459 31.700 -0.052 0.000 0.881 1476 M N 1.657 121.167 119.600 -0.151 0.000 2.799 1476 M HA 0.300 4.780 4.480 -0.000 0.000 0.274 1476 M C 1.677 177.826 176.300 -0.253 0.000 1.137 1476 M CA -0.858 54.285 55.300 -0.262 0.000 0.897 1476 M CB -0.543 31.988 32.600 -0.114 0.000 1.567 1476 M HN 0.188 nan 8.290 nan 0.000 0.536 1477 F N 0.620 120.553 119.950 -0.028 0.000 2.202 1477 F HA -0.079 4.448 4.527 -0.000 0.000 0.301 1477 F C 2.251 178.033 175.800 -0.031 0.000 1.082 1477 F CA 1.415 59.397 58.000 -0.031 0.000 1.313 1477 F CB -0.943 38.038 39.000 -0.033 0.000 1.024 1477 F HN 0.752 nan 8.300 nan 0.000 0.495 1478 G N -0.591 108.287 108.800 0.129 0.000 2.559 1478 G HA2 0.012 3.972 3.960 -0.000 0.000 0.216 1478 G HA3 0.012 3.972 3.960 -0.000 0.000 0.216 1478 G C 1.439 176.355 174.900 0.028 0.000 1.126 1478 G CA 0.617 45.762 45.100 0.074 0.000 0.778 1478 G HN 0.433 nan 8.290 nan 0.000 0.543 1479 A N -0.271 122.549 122.820 0.000 0.000 2.465 1479 A HA 0.616 4.936 4.320 -0.000 0.000 0.255 1479 A C 0.469 178.021 177.584 -0.052 0.000 1.274 1479 A CA -0.359 51.662 52.037 -0.027 0.000 0.920 1479 A CB 0.166 19.149 19.000 -0.029 0.000 1.033 1479 A HN 0.234 nan 8.150 nan 0.000 0.516 1480 L N -0.089 121.111 121.223 -0.038 0.000 2.282 1480 L HA 0.493 4.833 4.340 -0.000 0.000 0.288 1480 L C 1.620 178.434 176.870 -0.092 0.000 1.033 1480 L CA -0.170 54.643 54.840 -0.046 0.000 0.807 1480 L CB 1.180 43.247 42.059 0.013 0.000 1.209 1480 L HN 0.525 nan 8.230 nan 0.000 0.423 1481 G N 2.515 111.235 108.800 -0.134 0.000 2.674 1481 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.375 1481 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.375 1481 G C 1.148 175.815 174.900 -0.388 0.000 1.175 1481 G CA 1.051 46.028 45.100 -0.206 0.000 0.925 1481 G HN 0.624 nan 8.290 nan 0.000 0.606 1482 S N 0.817 116.440 115.700 -0.129 0.000 2.423 1482 S HA 0.098 4.568 4.470 -0.000 0.000 0.231 1482 S C 2.747 177.347 174.600 0.000 0.000 1.014 1482 S CA 1.820 60.025 58.200 0.009 0.000 0.965 1482 S CB -0.509 62.745 63.200 0.089 0.000 0.785 1482 S HN 1.183 nan 8.310 nan 0.000 0.495 1483 A N 2.103 124.907 122.820 -0.027 0.000 1.877 1483 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 1483 A C 2.072 179.671 177.584 0.025 0.000 1.186 1483 A CA 1.633 53.679 52.037 0.016 0.000 0.620 1483 A CB -0.596 18.421 19.000 0.028 0.000 0.822 1483 A HN 0.456 nan 8.150 nan 0.000 0.443 1484 R N -0.884 119.571 120.500 -0.075 0.000 2.083 1484 R HA -0.224 4.116 4.340 -0.000 0.000 0.237 1484 R C 2.008 178.293 176.300 -0.024 0.000 1.137 1484 R CA 2.124 58.173 56.100 -0.084 0.000 0.951 1484 R CB -0.554 29.639 30.300 -0.178 0.000 0.851 1484 R HN 0.785 nan 8.270 nan 0.000 0.434 1485 H N -2.201 116.892 119.070 0.039 0.000 2.387 1485 H HA -0.170 4.386 4.556 -0.000 0.000 0.299 1485 H C 1.990 177.333 175.328 0.025 0.000 1.099 1485 H CA 1.631 57.690 56.048 0.018 0.000 1.315 1485 H CB -0.146 29.626 29.762 0.017 0.000 1.380 1485 H HN 0.450 nan 8.280 nan 0.000 0.513 1486 H N -0.650 118.477 119.070 0.095 0.000 2.524 1486 H HA -0.005 4.551 4.556 -0.000 0.000 0.282 1486 H C 1.114 176.457 175.328 0.025 0.000 1.016 1486 H CA 1.098 57.174 56.048 0.047 0.000 1.270 1486 H CB 0.165 29.947 29.762 0.033 0.000 1.394 1486 H HN 0.327 nan 8.280 nan 0.000 0.568 1487 C N 1.288 120.647 119.300 0.099 0.000 3.038 1487 C HA 0.281 4.741 4.460 -0.000 0.000 0.279 1487 C C 0.678 175.674 174.990 0.010 0.000 1.276 1487 C CA -0.397 58.655 59.018 0.057 0.000 1.697 1487 C CB -1.068 26.728 27.740 0.092 0.000 2.032 1487 C HN 0.528 nan 8.230 nan 0.000 0.636 1488 R N 0.279 120.775 120.500 -0.008 0.000 2.892 1488 R HA 0.835 5.175 4.340 -0.000 0.000 0.265 1488 R C -1.467 174.773 176.300 -0.101 0.000 1.025 1488 R CA -0.645 55.439 56.100 -0.027 0.000 0.982 1488 R CB 0.944 31.247 30.300 0.005 0.000 1.185 1488 R HN 0.099 nan 8.270 nan 0.000 0.484 1489 L N 0.886 122.006 121.223 -0.172 0.000 2.365 1489 L HA 0.455 4.795 4.340 -0.000 0.000 0.273 1489 L C -0.668 175.945 176.870 -0.428 0.000 1.000 1489 L CA -0.925 53.696 54.840 -0.365 0.000 0.819 1489 L CB 2.686 44.376 42.059 -0.616 0.000 1.284 1489 L HN 0.752 nan 8.230 nan 0.000 0.418 1490 T N 2.461 116.787 114.554 -0.380 0.000 2.772 1490 T HA 0.502 4.851 4.350 -0.000 0.000 0.288 1490 T C -0.469 174.060 174.700 -0.285 0.000 0.994 1490 T CA -0.254 61.701 62.100 -0.242 0.000 0.951 1490 T CB 0.333 69.127 68.868 -0.124 0.000 0.933 1490 T HN 0.094 nan 8.240 nan 0.000 0.447 1491 F N 3.406 123.371 119.950 0.025 0.000 2.410 1491 F HA 0.522 5.049 4.527 -0.000 0.000 0.348 1491 F C 0.431 176.254 175.800 0.038 0.000 1.106 1491 F CA -0.777 57.247 58.000 0.040 0.000 1.163 1491 F CB 0.637 39.672 39.000 0.059 0.000 1.129 1491 F HN 0.185 nan 8.300 nan 0.000 0.516 1492 L N 1.937 123.287 121.223 0.212 0.000 2.301 1492 L HA 0.519 4.859 4.340 -0.000 0.000 0.264 1492 L C -0.137 176.812 176.870 0.131 0.000 1.016 1492 L CA -1.133 53.784 54.840 0.129 0.000 0.821 1492 L CB 2.319 44.418 42.059 0.067 0.000 1.346 1492 L HN 0.614 nan 8.230 nan 0.000 0.429 1493 S N -0.369 115.385 115.700 0.091 0.000 2.592 1493 S HA 0.163 4.633 4.470 -0.000 0.000 0.271 1493 S C 0.593 175.227 174.600 0.058 0.000 1.326 1493 S CA -0.580 57.664 58.200 0.074 0.000 1.024 1493 S CB 1.440 64.671 63.200 0.052 0.000 0.921 1493 S HN 0.702 nan 8.310 nan 0.000 0.527 1494 Q N 1.522 121.352 119.800 0.049 0.000 2.133 1494 Q HA -0.213 4.127 4.340 -0.000 0.000 0.208 1494 Q C 2.485 178.499 176.000 0.024 0.000 0.991 1494 Q CA 1.872 57.696 55.803 0.035 0.000 0.867 1494 Q CB -0.708 28.043 28.738 0.021 0.000 0.911 1494 Q HN 0.948 nan 8.270 nan 0.000 0.417 1495 A N 1.135 123.968 122.820 0.020 0.000 1.858 1495 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 1495 A C 2.355 179.947 177.584 0.014 0.000 1.190 1495 A CA 1.705 53.750 52.037 0.014 0.000 0.617 1495 A CB -1.016 17.991 19.000 0.011 0.000 0.827 1495 A HN 0.422 nan 8.150 nan 0.000 0.443 1496 A N -0.164 122.667 122.820 0.018 0.000 1.908 1496 A HA 0.095 4.415 4.320 -0.000 0.000 0.218 1496 A C 2.522 180.113 177.584 0.011 0.000 1.181 1496 A CA 2.376 54.421 52.037 0.014 0.000 0.627 1496 A CB -1.094 17.919 19.000 0.020 0.000 0.818 1496 A HN 1.133 nan 8.150 nan 0.000 0.445 1497 A N -0.217 122.615 122.820 0.019 0.000 1.902 1497 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 1497 A C 2.522 180.110 177.584 0.008 0.000 1.181 1497 A CA 2.248 54.294 52.037 0.015 0.000 0.623 1497 A CB -1.045 17.971 19.000 0.027 0.000 0.818 1497 A HN 1.104 nan 8.150 nan 0.000 0.443 1498 A N 0.330 123.156 122.820 0.009 0.000 1.898 1498 A HA -0.159 4.160 4.320 -0.000 0.000 0.216 1498 A C 1.692 179.277 177.584 0.001 0.000 1.181 1498 A CA 1.544 53.584 52.037 0.005 0.000 0.620 1498 A CB -0.582 18.421 19.000 0.005 0.000 0.819 1498 A HN 0.562 nan 8.150 nan 0.000 0.442 1499 N N -0.184 118.517 118.700 0.001 0.000 2.571 1499 N HA 0.055 4.795 4.740 -0.000 0.000 0.189 1499 N C 1.051 176.558 175.510 -0.006 0.000 1.154 1499 N CA 1.021 54.070 53.050 -0.002 0.000 0.907 1499 N CB -0.136 38.350 38.487 -0.001 0.000 0.977 1499 N HN 0.686 nan 8.380 nan 0.000 0.449 1500 G N 0.511 109.307 108.800 -0.006 0.000 2.246 1500 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.273 1500 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.273 1500 G C 0.966 175.855 174.900 -0.017 0.000 1.055 1500 G CA 0.365 45.459 45.100 -0.011 0.000 0.851 1500 G HN 0.212 nan 8.290 nan 0.000 0.500 1501 V N 0.098 120.003 119.914 -0.016 0.000 2.343 1501 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 1501 V C 3.230 179.303 176.094 -0.036 0.000 1.051 1501 V CA 3.060 65.345 62.300 -0.024 0.000 1.036 1501 V CB -0.962 30.849 31.823 -0.019 0.000 0.654 1501 V HN 1.034 nan 8.190 nan 0.000 0.451 1502 A N -0.105 122.694 122.820 -0.035 0.000 1.940 1502 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 1502 A C 2.105 179.659 177.584 -0.051 0.000 1.176 1502 A CA 2.163 54.172 52.037 -0.047 0.000 0.631 1502 A CB -0.419 18.554 19.000 -0.045 0.000 0.814 1502 A HN 0.592 nan 8.150 nan 0.000 0.446 1503 E N -0.776 119.400 120.200 -0.040 0.000 2.076 1503 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 1503 E C 2.149 178.726 176.600 -0.040 0.000 0.979 1503 E CA 1.078 57.455 56.400 -0.038 0.000 0.807 1503 E CB -0.268 29.416 29.700 -0.028 0.000 0.761 1503 E HN 0.627 nan 8.360 nan 0.000 0.454 1504 R N 0.499 120.977 120.500 -0.037 0.000 2.073 1504 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 1504 R C 1.820 178.090 176.300 -0.050 0.000 1.134 1504 R CA 1.175 57.252 56.100 -0.037 0.000 0.952 1504 R CB -0.204 30.077 30.300 -0.032 0.000 0.850 1504 R HN 0.197 nan 8.270 nan 0.000 0.433 1505 L N 0.448 121.634 121.223 -0.061 0.000 2.492 1505 L HA 0.035 4.375 4.340 -0.000 0.000 0.223 1505 L C 0.483 177.304 176.870 -0.083 0.000 1.132 1505 L CA 0.227 55.019 54.840 -0.080 0.000 0.850 1505 L CB -0.321 41.683 42.059 -0.091 0.000 0.966 1505 L HN 0.434 nan 8.230 nan 0.000 0.454 1506 N N 1.334 119.990 118.700 -0.073 0.000 2.738 1506 N HA -0.170 4.569 4.740 -0.000 0.000 0.249 1506 N C -0.265 175.182 175.510 -0.104 0.000 1.047 1506 N CA -0.037 52.966 53.050 -0.078 0.000 0.707 1506 N CB -0.726 37.719 38.487 -0.069 0.000 0.937 1506 N HN 0.256 nan 8.380 nan 0.000 0.545 1507 L N 0.972 122.130 121.223 -0.108 0.000 2.416 1507 L HA 0.074 4.414 4.340 -0.000 0.000 0.272 1507 L C 1.687 178.454 176.870 -0.171 0.000 1.161 1507 L CA 0.073 54.830 54.840 -0.138 0.000 0.845 1507 L CB 0.609 42.599 42.059 -0.114 0.000 1.119 1507 L HN 0.122 nan 8.230 nan 0.000 0.464 1508 R N 0.425 120.757 120.500 -0.280 0.000 2.290 1508 R HA 0.125 4.465 4.340 -0.000 0.000 0.197 1508 R C 0.434 176.562 176.300 -0.287 0.000 0.913 1508 R CA 0.019 55.903 56.100 -0.360 0.000 1.040 1508 R CB 0.215 30.121 30.300 -0.657 0.000 0.992 1508 R HN 0.527 nan 8.270 nan 0.000 0.500 1509 S N 0.275 115.847 115.700 -0.214 0.000 2.681 1509 S HA 0.594 5.064 4.470 -0.000 0.000 0.270 1509 S C 0.151 174.696 174.600 -0.092 0.000 1.209 1509 S CA -0.654 57.502 58.200 -0.074 0.000 0.988 1509 S CB 1.262 64.444 63.200 -0.032 0.000 1.006 1509 S HN 0.353 nan 8.310 nan 0.000 0.558 1510 A N 1.235 123.994 122.820 -0.101 0.000 2.386 1510 A HA 0.499 4.819 4.320 -0.000 0.000 0.248 1510 A C -0.262 177.230 177.584 -0.154 0.000 1.082 1510 A CA -0.162 51.796 52.037 -0.132 0.000 0.789 1510 A CB -0.163 18.734 19.000 -0.171 0.000 1.025 1510 A HN 0.580 nan 8.150 nan 0.000 0.490 1511 I N 0.569 121.060 120.570 -0.131 0.000 2.530 1511 I HA 0.626 4.796 4.170 -0.000 0.000 0.297 1511 I C 0.415 176.463 176.117 -0.115 0.000 1.011 1511 I CA -0.236 60.987 61.300 -0.128 0.000 1.107 1511 I CB 1.201 39.160 38.000 -0.068 0.000 1.285 1511 I HN 0.746 nan 8.210 nan 0.000 0.436 1512 A N 5.822 128.559 122.820 -0.140 0.000 2.414 1512 A HA 0.807 5.127 4.320 -0.000 0.000 0.306 1512 A C -1.104 176.602 177.584 0.203 0.000 1.054 1512 A CA -0.519 51.518 52.037 -0.001 0.000 0.724 1512 A CB 1.758 20.668 19.000 -0.151 0.000 1.267 1512 A HN 0.370 nan 8.150 nan 0.000 0.418 1513 V N 2.122 122.209 119.914 0.289 0.000 2.483 1513 V HA 0.533 4.653 4.120 -0.000 0.000 0.295 1513 V C 0.332 176.639 176.094 0.355 0.000 1.035 1513 V CA -0.538 61.923 62.300 0.269 0.000 0.896 1513 V CB 1.615 33.527 31.823 0.148 0.000 0.986 1513 V HN 1.029 nan 8.190 nan 0.000 0.447 1514 V N 2.754 122.827 119.914 0.265 0.000 2.649 1514 V HA 0.770 4.890 4.120 -0.000 0.000 0.292 1514 V C -0.326 175.823 176.094 0.092 0.000 1.055 1514 V CA -0.469 61.957 62.300 0.209 0.000 1.023 1514 V CB 0.901 32.798 31.823 0.123 0.000 0.992 1514 V HN 1.057 nan 8.190 nan 0.000 0.480 1515 K N 2.239 122.661 120.400 0.037 0.000 2.568 1515 K HA 0.693 5.013 4.320 -0.000 0.000 0.273 1515 K C 0.098 176.672 176.600 -0.043 0.000 0.951 1515 K CA -0.525 55.737 56.287 -0.041 0.000 0.854 1515 K CB 1.575 34.004 32.500 -0.119 0.000 1.424 1515 K HN 1.936 nan 8.250 nan 0.000 0.427 1516 G N 0.854 109.629 108.800 -0.042 0.000 2.171 1516 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.238 1516 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.238 1516 G C 0.488 175.365 174.900 -0.038 0.000 1.039 1516 G CA 0.096 45.173 45.100 -0.039 0.000 0.759 1516 G HN 0.661 nan 8.290 nan 0.000 0.501 1517 C N -0.407 118.868 119.300 -0.041 0.000 2.512 1517 C HA 0.160 4.620 4.460 -0.000 0.000 0.276 1517 C C 2.487 177.434 174.990 -0.072 0.000 1.368 1517 C CA 0.968 59.947 59.018 -0.065 0.000 1.755 1517 C CB -0.366 27.336 27.740 -0.063 0.000 2.008 1517 C HN 0.572 nan 8.230 nan 0.000 0.511 1518 R N 1.326 121.794 120.500 -0.054 0.000 2.210 1518 R HA 0.018 4.358 4.340 -0.000 0.000 0.203 1518 R C 1.884 178.157 176.300 -0.046 0.000 1.010 1518 R CA 1.440 57.509 56.100 -0.050 0.000 1.008 1518 R CB -1.642 28.635 30.300 -0.040 0.000 0.923 1518 R HN 0.679 nan 8.270 nan 0.000 0.469 1519 T N -1.994 112.534 114.554 -0.043 0.000 3.065 1519 T HA 0.157 4.507 4.350 -0.000 0.000 0.252 1519 T C 1.010 175.685 174.700 -0.041 0.000 1.099 1519 T CA -0.224 61.854 62.100 -0.038 0.000 1.063 1519 T CB 0.045 68.893 68.868 -0.032 0.000 0.948 1519 T HN -0.070 nan 8.240 nan 0.000 0.506 1520 V N 3.002 122.885 119.914 -0.052 0.000 2.686 1520 V HA 0.430 4.550 4.120 -0.000 0.000 0.295 1520 V C -0.317 175.741 176.094 -0.060 0.000 1.055 1520 V CA -0.450 61.816 62.300 -0.058 0.000 1.050 1520 V CB 0.984 32.763 31.823 -0.073 0.000 0.984 1520 V HN 0.757 nan 8.190 nan 0.000 0.482 1521 Q N 3.994 123.761 119.800 -0.054 0.000 2.615 1521 Q HA 0.473 4.813 4.340 -0.000 0.000 0.298 1521 Q C 0.294 176.265 176.000 -0.049 0.000 1.023 1521 Q CA -0.978 54.797 55.803 -0.047 0.000 0.768 1521 Q CB 1.435 30.154 28.738 -0.032 0.000 1.500 1521 Q HN 0.396 nan 8.270 nan 0.000 0.441 1522 K N 0.841 121.217 120.400 -0.040 0.000 2.127 1522 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 1522 K C 1.791 178.373 176.600 -0.030 0.000 1.047 1522 K CA 2.528 58.792 56.287 -0.038 0.000 0.927 1522 K CB -0.888 31.598 32.500 -0.024 0.000 0.716 1522 K HN 0.677 nan 8.250 nan 0.000 0.450 1523 A N 0.605 123.411 122.820 -0.023 0.000 2.019 1523 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 1523 A C 1.479 179.048 177.584 -0.026 0.000 1.164 1523 A CA 1.905 53.933 52.037 -0.016 0.000 0.644 1523 A CB -0.436 18.558 19.000 -0.011 0.000 0.805 1523 A HN 0.408 nan 8.150 nan 0.000 0.449 1524 D N -0.449 119.927 120.400 -0.039 0.000 2.347 1524 D HA 0.013 4.653 4.640 -0.000 0.000 0.215 1524 D C 0.334 176.590 176.300 -0.075 0.000 0.976 1524 D CA 0.319 54.287 54.000 -0.052 0.000 0.884 1524 D CB -0.125 40.644 40.800 -0.053 0.000 0.915 1524 D HN 0.288 nan 8.370 nan 0.000 0.526 1525 M N 1.742 121.299 119.600 -0.071 0.000 2.251 1525 M HA 0.058 4.538 4.480 -0.000 0.000 0.346 1525 M C -0.041 176.198 176.300 -0.102 0.000 1.499 1525 M CA -0.205 55.043 55.300 -0.086 0.000 1.128 1525 M CB 0.769 33.328 32.600 -0.068 0.000 1.809 1525 M HN -0.321 nan 8.290 nan 0.000 0.464 1526 V N 6.457 126.263 119.914 -0.180 0.000 2.458 1526 V HA -0.070 4.050 4.120 -0.000 0.000 0.287 1526 V C 1.122 177.077 176.094 -0.232 0.000 1.009 1526 V CA 0.302 62.411 62.300 -0.320 0.000 1.091 1526 V CB -0.910 30.608 31.823 -0.508 0.000 0.960 1526 V HN 0.914 nan 8.190 nan 0.000 0.476 1527 H N 2.453 121.547 119.070 0.040 0.000 3.631 1527 H HA -0.162 4.394 4.556 -0.000 0.000 0.202 1527 H C 0.609 175.968 175.328 0.051 0.000 1.029 1527 H CA 1.418 57.514 56.048 0.080 0.000 1.208 1527 H CB -1.285 28.439 29.762 -0.063 0.000 1.124 1527 H HN 0.843 nan 8.280 nan 0.000 0.329 1528 N N 0.275 119.032 118.700 0.094 0.000 2.703 1528 N HA 0.153 4.893 4.740 -0.000 0.000 0.283 1528 N C 0.176 175.703 175.510 0.028 0.000 1.851 1528 N CA 0.666 53.747 53.050 0.052 0.000 0.826 1528 N CB 0.995 39.487 38.487 0.008 0.000 1.239 1528 N HN 0.305 nan 8.380 nan 0.000 0.495 1529 S N -0.675 115.053 115.700 0.047 0.000 2.602 1529 S HA 0.155 4.625 4.470 -0.000 0.000 0.240 1529 S C 0.368 174.985 174.600 0.029 0.000 0.992 1529 S CA -0.429 57.786 58.200 0.025 0.000 0.971 1529 S CB 0.237 63.451 63.200 0.023 0.000 0.855 1529 S HN 0.236 nan 8.310 nan 0.000 0.481 1530 L N 2.711 123.959 121.223 0.042 0.000 2.455 1530 L HA 0.333 4.673 4.340 -0.000 0.000 0.272 1530 L C -0.168 176.716 176.870 0.023 0.000 1.174 1530 L CA 0.877 55.739 54.840 0.038 0.000 0.869 1530 L CB 0.478 42.568 42.059 0.052 0.000 1.130 1530 L HN 0.302 nan 8.230 nan 0.000 0.474 1531 Q N 7.081 126.886 119.800 0.009 0.000 2.607 1531 Q HA 0.388 4.728 4.340 -0.000 0.000 0.247 1531 Q C -2.252 173.739 176.000 -0.015 0.000 1.033 1531 Q CA -1.709 54.088 55.803 -0.011 0.000 0.769 1531 Q CB 1.101 29.822 28.738 -0.029 0.000 1.169 1531 Q HN 0.545 nan 8.270 nan 0.000 0.508 1532 P HA 0.064 nan 4.420 nan 0.000 0.278 1532 P C -0.589 176.698 177.300 -0.022 0.000 1.238 1532 P CA -0.482 62.617 63.100 -0.003 0.000 0.794 1532 P CB 0.900 32.611 31.700 0.018 0.000 0.955 1533 N N 2.712 121.399 118.700 -0.021 0.000 2.739 1533 N HA 0.121 4.861 4.740 -0.000 0.000 0.266 1533 N C -0.541 174.961 175.510 -0.014 0.000 1.168 1533 N CA -0.207 52.826 53.050 -0.029 0.000 1.055 1533 N CB -1.009 37.464 38.487 -0.023 0.000 1.393 1533 N HN 0.425 nan 8.380 nan 0.000 0.514 1534 I N 2.179 122.743 120.570 -0.010 0.000 2.392 1534 I HA 0.458 4.628 4.170 -0.000 0.000 0.295 1534 I C -0.400 175.723 176.117 0.011 0.000 0.985 1534 I CA -0.337 60.968 61.300 0.008 0.000 1.221 1534 I CB 1.141 39.158 38.000 0.028 0.000 1.366 1534 I HN 0.475 nan 8.210 nan 0.000 0.467 1535 T N 3.927 118.489 114.554 0.013 0.000 2.906 1535 T HA 0.694 5.044 4.350 -0.000 0.000 0.295 1535 T C -0.933 173.780 174.700 0.022 0.000 1.061 1535 T CA -0.716 61.392 62.100 0.014 0.000 1.000 1535 T CB 1.866 70.737 68.868 0.006 0.000 1.103 1535 T HN 0.289 nan 8.240 nan 0.000 0.486 1536 V N 1.945 121.875 119.914 0.026 0.000 2.483 1536 V HA 0.389 4.509 4.120 -0.000 0.000 0.297 1536 V C -0.404 175.719 176.094 0.049 0.000 1.027 1536 V CA -0.923 61.402 62.300 0.043 0.000 0.855 1536 V CB 1.668 33.520 31.823 0.048 0.000 0.995 1536 V HN 1.070 nan 8.190 nan 0.000 0.424 1537 D N 3.600 124.035 120.400 0.058 0.000 2.382 1537 D HA 0.199 4.839 4.640 -0.000 0.000 0.259 1537 D C 1.154 177.511 176.300 0.095 0.000 1.224 1537 D CA 0.519 54.546 54.000 0.045 0.000 0.894 1537 D CB 2.049 42.860 40.800 0.018 0.000 1.127 1537 D HN 0.674 nan 8.370 nan 0.000 0.487 1538 A N 4.284 127.140 122.820 0.061 0.000 1.978 1538 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 1538 A C 1.883 179.530 177.584 0.104 0.000 1.170 1538 A CA 1.654 53.749 52.037 0.096 0.000 0.636 1538 A CB -0.113 18.891 19.000 0.008 0.000 0.810 1538 A HN 0.686 nan 8.150 nan 0.000 0.448 1539 Q N -1.228 118.552 119.800 -0.035 0.000 2.200 1539 Q HA 0.005 4.345 4.340 -0.000 0.000 0.197 1539 Q C 2.119 177.847 176.000 -0.453 0.000 0.953 1539 Q CA 1.512 57.207 55.803 -0.179 0.000 0.851 1539 Q CB -0.422 28.246 28.738 -0.117 0.000 0.938 1539 Q HN 0.719 nan 8.270 nan 0.000 0.488 1540 T N -3.095 111.287 114.554 -0.288 0.000 3.067 1540 T HA -0.034 4.316 4.350 -0.000 0.000 0.257 1540 T C -0.111 174.458 174.700 -0.218 0.000 1.105 1540 T CA 0.213 62.136 62.100 -0.294 0.000 1.104 1540 T CB -0.069 68.727 68.868 -0.121 0.000 0.925 1540 T HN 0.280 nan 8.240 nan 0.000 0.498 1541 Y N 0.548 120.840 120.300 -0.013 0.000 4.841 1541 Y HA -0.178 4.372 4.550 -0.000 0.000 0.242 1541 Y C 0.184 176.070 175.900 -0.023 0.000 1.002 1541 Y CA -0.326 57.764 58.100 -0.016 0.000 2.011 1541 Y CB -2.947 35.502 38.460 -0.019 0.000 1.554 1541 Y HN 0.520 nan 8.280 nan 0.000 0.618 1542 E N 0.463 120.723 120.200 0.100 0.000 2.376 1542 E HA 0.367 4.717 4.350 -0.000 0.000 0.266 1542 E C 0.043 176.666 176.600 0.039 0.000 1.009 1542 E CA -0.217 56.211 56.400 0.048 0.000 0.902 1542 E CB 1.208 30.918 29.700 0.017 0.000 0.972 1542 E HN 0.028 nan 8.360 nan 0.000 0.439 1543 V N 4.690 124.616 119.914 0.020 0.000 2.465 1543 V HA 0.317 4.437 4.120 -0.000 0.000 0.279 1543 V C 0.194 176.292 176.094 0.006 0.000 1.045 1543 V CA -0.321 61.986 62.300 0.012 0.000 0.938 1543 V CB 0.953 32.773 31.823 -0.006 0.000 0.986 1543 V HN 0.609 nan 8.190 nan 0.000 0.467 1544 R N 3.054 123.559 120.500 0.008 0.000 2.628 1544 R HA 0.711 5.051 4.340 -0.000 0.000 0.288 1544 R C -1.663 174.640 176.300 0.005 0.000 0.980 1544 R CA -0.697 55.406 56.100 0.005 0.000 0.891 1544 R CB 2.559 32.862 30.300 0.005 0.000 1.188 1544 R HN 0.497 nan 8.270 nan 0.000 0.450 1545 V N 3.596 123.512 119.914 0.004 0.000 2.357 1545 V HA 0.151 4.271 4.120 -0.000 0.000 0.284 1545 V C -0.186 175.909 176.094 0.002 0.000 1.018 1545 V CA -0.467 61.836 62.300 0.004 0.000 0.841 1545 V CB 1.413 33.240 31.823 0.006 0.000 0.991 1545 V HN 0.881 nan 8.190 nan 0.000 0.437 1546 D N 4.449 124.849 120.400 -0.001 0.000 2.837 1546 D HA -0.214 4.426 4.640 -0.000 0.000 0.230 1546 D C 1.329 177.628 176.300 -0.001 0.000 1.152 1546 D CA 1.562 55.561 54.000 -0.002 0.000 0.736 1546 D CB -1.079 39.721 40.800 -0.001 0.000 1.084 1546 D HN 1.338 nan 8.370 nan 0.000 0.429 1547 G N 0.117 108.917 108.800 -0.001 0.000 2.253 1547 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.251 1547 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.251 1547 G C 0.165 175.065 174.900 0.001 0.000 0.998 1547 G CA 0.775 45.875 45.100 -0.001 0.000 0.621 1547 G HN 0.726 nan 8.290 nan 0.000 0.524 1548 E N 1.000 121.202 120.200 0.002 0.000 2.354 1548 E HA 0.548 4.898 4.350 -0.000 0.000 0.269 1548 E C 0.155 176.757 176.600 0.003 0.000 1.036 1548 E CA -0.960 55.442 56.400 0.003 0.000 0.876 1548 E CB 1.472 31.175 29.700 0.005 0.000 1.009 1548 E HN 0.475 nan 8.360 nan 0.000 0.416 1549 L N 4.380 125.605 121.223 0.004 0.000 2.367 1549 L HA 0.220 4.560 4.340 -0.000 0.000 0.275 1549 L C -0.883 175.988 176.870 0.003 0.000 1.129 1549 L CA -0.228 54.614 54.840 0.003 0.000 0.839 1549 L CB 0.616 42.677 42.059 0.004 0.000 1.133 1549 L HN 0.569 nan 8.230 nan 0.000 0.453 1550 I N 5.275 125.843 120.570 -0.002 0.000 2.339 1550 I HA 0.476 4.646 4.170 -0.000 0.000 0.290 1550 I C 0.290 176.399 176.117 -0.013 0.000 0.994 1550 I CA -0.070 61.225 61.300 -0.007 0.000 1.191 1550 I CB 0.613 38.603 38.000 -0.017 0.000 1.343 1550 I HN 0.724 nan 8.210 nan 0.000 0.458 1551 T N 4.105 118.657 114.554 -0.002 0.000 2.739 1551 T HA 0.738 5.088 4.350 -0.000 0.000 0.303 1551 T C -1.060 173.660 174.700 0.032 0.000 1.389 1551 T CA -0.268 61.834 62.100 0.003 0.000 1.001 1551 T CB 1.588 70.464 68.868 0.013 0.000 1.436 1551 T HN 0.789 nan 8.240 nan 0.000 0.500 1552 S N 0.828 116.572 115.700 0.072 0.000 2.643 1552 S HA 0.730 5.200 4.470 -0.000 0.000 0.270 1552 S C -1.853 172.866 174.600 0.197 0.000 1.166 1552 S CA -0.984 57.286 58.200 0.116 0.000 0.815 1552 S CB 1.781 65.055 63.200 0.123 0.000 1.139 1552 S HN 0.643 nan 8.310 nan 0.000 0.472 1553 E N 1.999 122.281 120.200 0.137 0.000 2.204 1553 E HA 0.507 4.857 4.350 -0.000 0.000 0.276 1553 E C -2.564 174.010 176.600 -0.044 0.000 0.974 1553 E CA -2.229 54.217 56.400 0.076 0.000 0.815 1553 E CB 1.415 31.127 29.700 0.020 0.000 1.119 1553 E HN 0.496 nan 8.360 nan 0.000 0.393 1554 P HA 0.135 nan 4.420 nan 0.000 0.276 1554 P C -0.863 176.262 177.300 -0.293 0.000 1.230 1554 P CA -0.291 62.388 63.100 -0.702 0.000 0.776 1554 P CB 0.854 31.913 31.700 -1.069 0.000 0.888 1555 A N 3.321 126.021 122.820 -0.199 0.000 2.363 1555 A HA 0.209 4.529 4.320 -0.000 0.000 0.270 1555 A C 1.289 178.826 177.584 -0.079 0.000 1.121 1555 A CA -0.424 51.564 52.037 -0.083 0.000 0.800 1555 A CB 0.059 19.051 19.000 -0.013 0.000 1.052 1555 A HN 0.651 nan 8.150 nan 0.000 0.493 1556 D N 1.259 121.632 120.400 -0.046 0.000 2.240 1556 D HA 0.036 4.676 4.640 -0.000 0.000 0.206 1556 D C 0.222 176.514 176.300 -0.013 0.000 0.963 1556 D CA 0.758 54.737 54.000 -0.035 0.000 0.863 1556 D CB -0.116 40.668 40.800 -0.026 0.000 0.973 1556 D HN 0.208 nan 8.370 nan 0.000 0.501 1557 V N 0.639 120.556 119.914 0.004 0.000 2.841 1557 V HA 0.436 4.556 4.120 -0.000 0.000 0.310 1557 V C -0.559 175.553 176.094 0.029 0.000 1.090 1557 V CA -0.904 61.404 62.300 0.014 0.000 0.930 1557 V CB 2.661 34.492 31.823 0.014 0.000 1.014 1557 V HN 0.057 nan 8.190 nan 0.000 0.425 1558 L N 4.780 126.016 121.223 0.023 0.000 2.354 1558 L HA 0.670 5.010 4.340 -0.000 0.000 0.264 1558 L C -2.319 174.535 176.870 -0.026 0.000 1.008 1558 L CA -1.648 53.199 54.840 0.012 0.000 0.819 1558 L CB 2.998 45.075 42.059 0.030 0.000 1.339 1558 L HN 0.470 nan 8.230 nan 0.000 0.420 1559 P HA 0.276 nan 4.420 nan 0.000 0.282 1559 P C -0.218 177.088 177.300 0.010 0.000 1.287 1559 P CA -0.443 62.587 63.100 -0.117 0.000 0.792 1559 P CB 0.877 32.359 31.700 -0.363 0.000 1.163 1560 M N -2.500 117.169 119.600 0.116 0.000 2.393 1560 M HA -0.257 4.223 4.480 -0.000 0.000 0.201 1560 M C 0.309 176.767 176.300 0.263 0.000 0.403 1560 M CA 0.831 56.181 55.300 0.084 0.000 0.471 1560 M CB -2.144 30.424 32.600 -0.053 0.000 1.669 1560 M HN 0.588 nan 8.290 nan 0.000 0.864 1561 A N -0.310 122.713 122.820 0.339 0.000 2.677 1561 A HA 0.308 4.628 4.320 -0.000 0.000 0.197 1561 A C 1.010 178.819 177.584 0.375 0.000 1.471 1561 A CA 0.197 52.438 52.037 0.341 0.000 1.527 1561 A CB 0.047 19.146 19.000 0.164 0.000 1.695 1561 A HN 0.449 nan 8.150 nan 0.000 0.557 1562 Q N -0.207 119.711 119.800 0.197 0.000 2.443 1562 Q HA -0.085 4.255 4.340 -0.000 0.000 0.213 1562 Q C 1.869 177.895 176.000 0.044 0.000 0.982 1562 Q CA 1.052 56.933 55.803 0.130 0.000 0.894 1562 Q CB -0.068 28.707 28.738 0.061 0.000 0.947 1562 Q HN 0.503 nan 8.270 nan 0.000 0.480 1563 R N -0.735 119.747 120.500 -0.030 0.000 2.200 1563 R HA -0.059 4.281 4.340 -0.000 0.000 0.208 1563 R C 0.770 176.824 176.300 -0.409 0.000 1.033 1563 R CA 0.775 56.703 56.100 -0.286 0.000 1.000 1563 R CB 0.371 30.365 30.300 -0.510 0.000 0.906 1563 R HN 0.291 nan 8.270 nan 0.000 0.462 1564 Y N -1.973 118.265 120.300 -0.103 0.000 2.498 1564 Y HA 0.230 4.780 4.550 -0.000 0.000 0.259 1564 Y C 0.011 175.673 175.900 -0.396 0.000 1.086 1564 Y CA -0.322 57.623 58.100 -0.259 0.000 1.287 1564 Y CB 0.485 38.680 38.460 -0.442 0.000 1.146 1564 Y HN -0.176 nan 8.280 nan 0.000 0.523 1565 F N -0.081 119.986 119.950 0.195 0.000 2.421 1565 F HA 0.277 4.804 4.527 -0.000 0.000 0.337 1565 F C 0.801 176.621 175.800 0.035 0.000 1.105 1565 F CA -0.843 57.235 58.000 0.130 0.000 1.049 1565 F CB 1.414 40.492 39.000 0.129 0.000 1.139 1565 F HN -0.209 nan 8.300 nan 0.000 0.479 1566 L N 2.220 123.558 121.223 0.190 0.000 2.291 1566 L HA 0.184 4.524 4.340 -0.000 0.000 0.214 1566 L C -0.532 176.107 176.870 -0.385 0.000 1.120 1566 L CA 1.662 56.442 54.840 -0.099 0.000 0.799 1566 L CB -0.419 41.596 42.059 -0.072 0.000 0.925 1566 L HN 0.457 nan 8.230 nan 0.000 0.446 1567 F N 0.000 120.040 119.950 0.150 0.000 2.286 1567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1567 F CA 0.000 58.048 58.000 0.081 0.000 1.383 1567 F CB 0.000 39.028 39.000 0.047 0.000 1.145 1567 F HN 0.000 nan 8.300 nan 0.000 0.574