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 1ejw_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 HLDMLMVCHH LDPDIAEDVA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1002 S HA 0.000 nan 4.470 nan 0.000 0.327 1002 S C 0.000 174.618 174.600 0.030 0.000 1.055 1002 S CA 0.000 58.219 58.200 0.032 0.000 1.107 1002 S CB 0.000 63.226 63.200 0.043 0.000 0.593 1003 N N 1.819 120.536 118.700 0.027 0.000 2.405 1003 N HA 0.733 5.473 4.740 -0.000 0.000 0.285 1003 N C -1.411 174.120 175.510 0.035 0.000 1.262 1003 N CA -0.654 52.405 53.050 0.015 0.000 0.773 1003 N CB 2.330 40.819 38.487 0.002 0.000 1.490 1003 N HN 0.689 nan 8.380 nan 0.000 0.486 1004 I N -0.085 120.505 120.570 0.034 0.000 2.918 1004 I HA 0.250 4.420 4.170 -0.000 0.000 0.301 1004 I C -0.457 175.691 176.117 0.050 0.000 1.312 1004 I CA -0.476 60.870 61.300 0.077 0.000 1.007 1004 I CB 2.079 40.178 38.000 0.164 0.000 1.281 1004 I HN 0.666 nan 8.210 nan 0.000 0.440 1005 S N 5.358 121.093 115.700 0.058 0.000 2.617 1005 S HA 0.424 4.894 4.470 -0.000 0.000 0.269 1005 S C 0.902 175.544 174.600 0.068 0.000 1.292 1005 S CA -0.533 57.689 58.200 0.037 0.000 1.010 1005 S CB 1.644 64.864 63.200 0.033 0.000 0.944 1005 S HN 0.806 nan 8.310 nan 0.000 0.536 1006 R N 0.122 120.639 120.500 0.029 0.000 2.120 1006 R HA -0.115 4.224 4.340 -0.000 0.000 0.234 1006 R C 2.332 178.701 176.300 0.115 0.000 1.123 1006 R CA 1.486 57.613 56.100 0.045 0.000 0.975 1006 R CB -0.390 29.904 30.300 -0.009 0.000 0.866 1006 R HN 0.751 nan 8.270 nan 0.000 0.446 1007 Q N 0.645 120.493 119.800 0.081 0.000 2.083 1007 Q HA -0.029 4.311 4.340 -0.000 0.000 0.198 1007 Q C 1.839 177.892 176.000 0.089 0.000 0.969 1007 Q CA 1.946 57.797 55.803 0.079 0.000 0.838 1007 Q CB -0.151 28.617 28.738 0.049 0.000 0.900 1007 Q HN 0.298 nan 8.270 nan 0.000 0.436 1008 A N -0.852 122.021 122.820 0.088 0.000 1.968 1008 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 1008 A C 1.988 179.629 177.584 0.094 0.000 1.169 1008 A CA 1.144 53.219 52.037 0.064 0.000 0.638 1008 A CB -0.950 18.081 19.000 0.051 0.000 0.812 1008 A HN 0.595 nan 8.150 nan 0.000 0.446 1009 Y N 0.726 121.074 120.300 0.079 0.000 2.097 1009 Y HA -0.174 4.376 4.550 -0.000 0.000 0.282 1009 Y C 2.649 178.657 175.900 0.179 0.000 1.152 1009 Y CA 1.692 59.907 58.100 0.192 0.000 1.136 1009 Y CB -0.392 38.147 38.460 0.131 0.000 0.975 1009 Y HN 0.315 nan 8.280 nan 0.000 0.498 1010 A N 0.061 123.064 122.820 0.305 0.000 1.940 1010 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 1010 A C 1.816 179.440 177.584 0.067 0.000 1.176 1010 A CA 2.125 54.288 52.037 0.210 0.000 0.631 1010 A CB -0.829 18.275 19.000 0.174 0.000 0.814 1010 A HN 0.577 nan 8.150 nan 0.000 0.446 1011 D N -1.277 119.131 120.400 0.013 0.000 2.178 1011 D HA -0.070 4.570 4.640 -0.000 0.000 0.202 1011 D C 1.852 178.052 176.300 -0.166 0.000 0.974 1011 D CA 1.200 55.169 54.000 -0.052 0.000 0.841 1011 D CB -0.176 40.598 40.800 -0.042 0.000 0.953 1011 D HN 0.502 nan 8.370 nan 0.000 0.478 1012 M N -1.599 117.806 119.600 -0.325 0.000 2.466 1012 M HA 0.094 4.574 4.480 -0.000 0.000 0.265 1012 M C 0.433 176.232 176.300 -0.835 0.000 1.122 1012 M CA 0.828 55.723 55.300 -0.674 0.000 1.157 1012 M CB 0.492 32.422 32.600 -1.118 0.000 1.352 1012 M HN -0.114 nan 8.290 nan 0.000 0.464 1013 F N -0.336 119.464 119.950 -0.250 0.000 2.781 1013 F HA 0.458 4.985 4.527 -0.000 0.000 0.322 1013 F C 0.833 176.596 175.800 -0.062 0.000 1.108 1013 F CA 0.017 57.889 58.000 -0.214 0.000 1.179 1013 F CB 0.582 39.303 39.000 -0.465 0.000 1.072 1013 F HN 0.170 nan 8.300 nan 0.000 0.545 1014 G N 1.738 110.596 108.800 0.096 0.000 2.730 1014 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.686 1014 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.686 1014 G C -2.967 172.075 174.900 0.237 0.000 1.343 1014 G CA -1.394 43.794 45.100 0.146 0.000 0.826 1014 G HN -0.069 nan 8.290 nan 0.000 0.582 1015 P HA 0.402 nan 4.420 nan 0.000 0.270 1015 P C 0.213 177.663 177.300 0.249 0.000 1.223 1015 P CA 0.527 63.755 63.100 0.213 0.000 0.785 1015 P CB 1.518 33.303 31.700 0.141 0.000 0.923 1016 T N -0.158 114.523 114.554 0.213 0.000 2.693 1016 T HA 0.276 4.626 4.350 -0.000 0.000 0.278 1016 T C -0.474 174.295 174.700 0.115 0.000 0.994 1016 T CA -0.776 61.438 62.100 0.190 0.000 1.033 1016 T CB 0.592 69.579 68.868 0.198 0.000 1.342 1016 T HN 0.082 nan 8.240 nan 0.000 0.538 1017 V N 2.137 122.118 119.914 0.111 0.000 2.644 1017 V HA 0.306 4.426 4.120 -0.000 0.000 0.303 1017 V C 1.853 177.977 176.094 0.051 0.000 1.058 1017 V CA 1.827 64.174 62.300 0.077 0.000 1.228 1017 V CB -0.194 31.676 31.823 0.078 0.000 0.861 1017 V HN 1.335 nan 8.190 nan 0.000 0.484 1018 G N 3.692 112.518 108.800 0.044 0.000 2.217 1018 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.246 1018 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.246 1018 G C -0.032 174.887 174.900 0.031 0.000 0.990 1018 G CA 0.065 45.182 45.100 0.028 0.000 0.627 1018 G HN 0.669 nan 8.290 nan 0.000 0.522 1019 D N 1.104 121.535 120.400 0.051 0.000 2.339 1019 D HA 0.556 5.196 4.640 -0.000 0.000 0.245 1019 D C 0.613 176.961 176.300 0.080 0.000 1.115 1019 D CA 0.364 54.402 54.000 0.065 0.000 0.917 1019 D CB 0.896 41.751 40.800 0.090 0.000 1.192 1019 D HN 0.401 nan 8.370 nan 0.000 0.428 1020 K N 0.179 120.646 120.400 0.111 0.000 2.259 1020 K HA 0.661 4.980 4.320 -0.000 0.000 0.249 1020 K C -1.052 175.736 176.600 0.315 0.000 0.942 1020 K CA -0.941 55.465 56.287 0.199 0.000 0.816 1020 K CB 2.363 34.972 32.500 0.182 0.000 1.155 1020 K HN 0.071 nan 8.250 nan 0.000 0.428 1021 V N 1.840 121.921 119.914 0.278 0.000 2.709 1021 V HA 0.399 4.519 4.120 -0.000 0.000 0.308 1021 V C -0.442 175.521 176.094 -0.219 0.000 1.062 1021 V CA -0.999 61.341 62.300 0.068 0.000 0.901 1021 V CB 1.764 33.557 31.823 -0.050 0.000 1.003 1021 V HN 0.684 nan 8.190 nan 0.000 0.425 1022 R N 3.719 123.792 120.500 -0.713 0.000 2.357 1022 R HA 0.532 4.872 4.340 -0.000 0.000 0.296 1022 R C -1.031 174.882 176.300 -0.645 0.000 1.052 1022 R CA -0.578 54.793 56.100 -1.215 0.000 0.988 1022 R CB 0.722 30.197 30.300 -1.377 0.000 1.025 1022 R HN 0.698 nan 8.270 nan 0.000 0.469 1023 L N 5.830 126.699 121.223 -0.591 0.000 2.283 1023 L HA 0.254 4.594 4.340 -0.000 0.000 0.287 1023 L C 1.085 177.764 176.870 -0.317 0.000 1.073 1023 L CA 0.218 54.758 54.840 -0.500 0.000 0.822 1023 L CB 0.809 42.485 42.059 -0.638 0.000 1.186 1023 L HN 1.106 nan 8.230 nan 0.000 0.436 1024 A N 4.151 126.844 122.820 -0.212 0.000 5.584 1024 A HA -0.313 4.007 4.320 -0.000 0.000 0.303 1024 A C 0.728 178.226 177.584 -0.144 0.000 1.923 1024 A CA 1.398 53.350 52.037 -0.142 0.000 0.717 1024 A CB -1.084 17.826 19.000 -0.150 0.000 1.281 1024 A HN 0.961 nan 8.150 nan 0.000 0.379 1025 D N 0.097 120.459 120.400 -0.063 0.000 2.491 1025 D HA 0.349 4.989 4.640 -0.000 0.000 0.228 1025 D C 0.705 176.928 176.300 -0.129 0.000 1.183 1025 D CA 0.975 54.921 54.000 -0.090 0.000 0.827 1025 D CB -1.057 39.721 40.800 -0.038 0.000 0.989 1025 D HN 1.085 nan 8.370 nan 0.000 0.494 1026 T N -2.841 111.618 114.554 -0.158 0.000 2.810 1026 T HA 0.261 4.611 4.350 -0.000 0.000 0.277 1026 T C 0.767 175.471 174.700 0.008 0.000 0.973 1026 T CA -0.534 61.504 62.100 -0.103 0.000 0.949 1026 T CB 1.590 70.439 68.868 -0.031 0.000 1.075 1026 T HN -0.235 nan 8.240 nan 0.000 0.537 1027 E N 0.055 120.425 120.200 0.284 0.000 2.444 1027 E HA 0.297 4.647 4.350 -0.000 0.000 0.191 1027 E C -0.151 176.518 176.600 0.115 0.000 1.041 1027 E CA -0.100 56.407 56.400 0.178 0.000 0.883 1027 E CB -0.287 29.508 29.700 0.159 0.000 1.024 1027 E HN 0.539 nan 8.360 nan 0.000 0.470 1028 L N 0.539 121.750 121.223 -0.020 0.000 2.292 1028 L HA 0.304 4.644 4.340 -0.000 0.000 0.284 1028 L C -0.431 176.318 176.870 -0.203 0.000 1.065 1028 L CA -0.492 54.331 54.840 -0.028 0.000 0.806 1028 L CB 0.631 42.656 42.059 -0.057 0.000 1.175 1028 L HN -0.066 nan 8.230 nan 0.000 0.431 1029 W N 4.524 125.779 121.300 -0.074 0.000 2.702 1029 W HA 0.630 5.290 4.660 -0.000 0.000 0.331 1029 W C -0.207 176.249 176.519 -0.104 0.000 1.049 1029 W CA -0.491 56.799 57.345 -0.091 0.000 1.230 1029 W CB 1.461 30.889 29.460 -0.053 0.000 1.408 1029 W HN 0.222 nan 8.180 nan 0.000 0.492 1030 I N -0.385 120.236 120.570 0.085 0.000 2.525 1030 I HA 0.634 4.804 4.170 -0.000 0.000 0.301 1030 I C -0.490 175.671 176.117 0.073 0.000 0.992 1030 I CA -1.124 60.182 61.300 0.010 0.000 1.162 1030 I CB 2.112 40.037 38.000 -0.126 0.000 1.332 1030 I HN 0.412 nan 8.210 nan 0.000 0.458 1031 E N 4.168 124.398 120.200 0.049 0.000 2.187 1031 E HA 0.406 4.756 4.350 -0.000 0.000 0.268 1031 E C -1.257 175.363 176.600 0.033 0.000 0.896 1031 E CA -0.895 55.535 56.400 0.051 0.000 0.766 1031 E CB 2.266 31.992 29.700 0.044 0.000 1.142 1031 E HN 0.603 nan 8.360 nan 0.000 0.408 1032 V N 5.218 125.157 119.914 0.042 0.000 2.493 1032 V HA -0.060 4.060 4.120 -0.000 0.000 0.292 1032 V C 0.981 177.102 176.094 0.045 0.000 1.016 1032 V CA 0.769 63.095 62.300 0.043 0.000 1.097 1032 V CB 0.607 32.471 31.823 0.067 0.000 0.947 1032 V HN 0.843 nan 8.190 nan 0.000 0.479 1033 E N 2.351 122.575 120.200 0.041 0.000 2.250 1033 E HA 0.055 4.405 4.350 -0.000 0.000 0.192 1033 E C 0.243 176.878 176.600 0.058 0.000 0.986 1033 E CA 0.409 56.838 56.400 0.049 0.000 0.849 1033 E CB 0.398 30.129 29.700 0.051 0.000 0.797 1033 E HN 0.754 nan 8.360 nan 0.000 0.482 1034 D N -0.671 119.768 120.400 0.065 0.000 2.648 1034 D HA 0.147 4.787 4.640 -0.000 0.000 0.244 1034 D C -2.020 174.321 176.300 0.068 0.000 1.244 1034 D CA -0.514 53.525 54.000 0.065 0.000 0.772 1034 D CB 2.054 42.903 40.800 0.082 0.000 1.379 1034 D HN -0.187 nan 8.370 nan 0.000 0.428 1035 D N 1.772 122.199 120.400 0.045 0.000 2.686 1035 D HA 0.255 4.895 4.640 -0.000 0.000 0.249 1035 D C 0.550 176.838 176.300 -0.021 0.000 1.260 1035 D CA -0.379 53.642 54.000 0.035 0.000 0.910 1035 D CB 1.385 42.214 40.800 0.048 0.000 1.323 1035 D HN 0.318 nan 8.370 nan 0.000 0.561 1036 L N 1.922 123.149 121.223 0.007 0.000 2.599 1036 L HA 0.108 4.448 4.340 -0.000 0.000 0.230 1036 L C 1.516 178.354 176.870 -0.054 0.000 1.141 1036 L CA 0.211 55.045 54.840 -0.011 0.000 0.877 1036 L CB -0.281 41.798 42.059 0.033 0.000 1.009 1036 L HN 0.307 nan 8.230 nan 0.000 0.447 1037 T N -0.316 114.178 114.554 -0.100 0.000 2.770 1037 T HA 0.179 4.529 4.350 -0.000 0.000 0.281 1037 T C 0.242 174.797 174.700 -0.242 0.000 0.981 1037 T CA 0.034 62.058 62.100 -0.128 0.000 0.955 1037 T CB 1.138 69.951 68.868 -0.093 0.000 1.060 1037 T HN -0.013 nan 8.240 nan 0.000 0.531 1038 T N 2.605 117.044 114.554 -0.191 0.000 2.809 1038 T HA 0.383 4.733 4.350 -0.000 0.000 0.296 1038 T C -0.929 173.695 174.700 -0.128 0.000 1.015 1038 T CA -0.183 61.806 62.100 -0.185 0.000 0.954 1038 T CB -0.136 68.687 68.868 -0.076 0.000 0.950 1038 T HN 0.496 nan 8.240 nan 0.000 0.450 1039 Y N 1.870 122.150 120.300 -0.033 0.000 2.805 1039 Y HA 0.261 4.811 4.550 -0.000 0.000 0.331 1039 Y C 1.737 177.622 175.900 -0.025 0.000 1.241 1039 Y CA 0.869 58.947 58.100 -0.037 0.000 1.546 1039 Y CB 0.262 38.682 38.460 -0.066 0.000 1.248 1039 Y HN 1.005 nan 8.280 nan 0.000 0.559 1040 G N 1.944 110.823 108.800 0.130 0.000 2.259 1040 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 1040 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 1040 G C 0.570 175.484 174.900 0.024 0.000 1.001 1040 G CA -0.124 45.017 45.100 0.067 0.000 0.627 1040 G HN 0.554 nan 8.290 nan 0.000 0.501 1041 E N 1.153 121.357 120.200 0.006 0.000 2.499 1041 E HA 0.235 4.585 4.350 -0.000 0.000 0.199 1041 E C 0.217 176.812 176.600 -0.009 0.000 1.016 1041 E CA -0.020 56.382 56.400 0.004 0.000 0.933 1041 E CB 0.503 30.207 29.700 0.006 0.000 1.050 1041 E HN 0.675 nan 8.360 nan 0.000 0.462 1042 E N 0.955 121.116 120.200 -0.065 0.000 2.413 1042 E HA 0.063 4.413 4.350 -0.000 0.000 0.263 1042 E C 0.162 176.795 176.600 0.055 0.000 1.015 1042 E CA -0.110 56.255 56.400 -0.058 0.000 0.916 1042 E CB 0.900 30.402 29.700 -0.331 0.000 0.947 1042 E HN -0.069 nan 8.360 nan 0.000 0.440 1043 V N 0.213 120.184 119.914 0.095 0.000 2.509 1043 V HA 0.529 4.649 4.120 -0.000 0.000 0.284 1043 V C -0.038 176.161 176.094 0.175 0.000 1.047 1043 V CA -0.588 61.786 62.300 0.123 0.000 0.952 1043 V CB 1.128 33.013 31.823 0.103 0.000 0.988 1043 V HN 0.482 nan 8.190 nan 0.000 0.469 1044 K N 3.366 123.870 120.400 0.174 0.000 2.501 1044 K HA 0.510 4.830 4.320 -0.000 0.000 0.252 1044 K C -1.914 174.773 176.600 0.144 0.000 0.934 1044 K CA -0.553 55.834 56.287 0.168 0.000 0.797 1044 K CB 2.766 35.352 32.500 0.143 0.000 1.270 1044 K HN 0.765 nan 8.250 nan 0.000 0.431 1045 F N 1.415 121.386 119.950 0.035 0.000 2.450 1045 F HA 0.708 5.235 4.527 -0.000 0.000 0.332 1045 F C 0.159 175.965 175.800 0.009 0.000 1.093 1045 F CA 0.334 58.347 58.000 0.021 0.000 1.003 1045 F CB 1.634 40.644 39.000 0.018 0.000 1.151 1045 F HN 0.669 nan 8.300 nan 0.000 0.474 1046 G N 2.537 110.689 108.800 -1.080 0.000 2.359 1046 G HA2 0.370 4.330 3.960 -0.000 0.000 0.293 1046 G HA3 0.370 4.330 3.960 -0.000 0.000 0.293 1046 G C -0.852 173.735 174.900 -0.523 0.000 1.300 1046 G CA -0.474 44.157 45.100 -0.781 0.000 0.888 1046 G HN 1.039 nan 8.290 nan 0.000 0.541 1047 G N -0.979 107.632 108.800 -0.314 0.000 2.365 1047 G HA2 0.547 4.506 3.960 -0.000 0.000 0.249 1047 G HA3 0.547 4.506 3.960 -0.000 0.000 0.249 1047 G C 1.452 176.265 174.900 -0.145 0.000 1.288 1047 G CA 1.617 46.599 45.100 -0.196 0.000 0.887 1047 G HN 2.427 nan 8.290 nan 0.000 0.524 1048 G N 1.216 109.948 108.800 -0.113 0.000 2.166 1048 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 1048 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 1048 G C 0.754 175.614 174.900 -0.067 0.000 0.986 1048 G CA 1.049 46.106 45.100 -0.073 0.000 0.683 1048 G HN 0.774 nan 8.290 nan 0.000 0.527 1049 K N -0.903 119.435 120.400 -0.103 0.000 2.836 1049 K HA 0.586 4.906 4.320 -0.000 0.000 0.300 1049 K C 1.805 178.392 176.600 -0.021 0.000 1.004 1049 K CA -0.082 56.166 56.287 -0.065 0.000 1.140 1049 K CB 0.146 32.588 32.500 -0.097 0.000 1.458 1049 K HN 0.016 nan 8.250 nan 0.000 0.550 1050 V N 0.798 120.724 119.914 0.021 0.000 2.407 1050 V HA -0.073 4.047 4.120 -0.000 0.000 0.245 1050 V C 1.401 177.531 176.094 0.060 0.000 1.041 1050 V CA 1.130 63.460 62.300 0.051 0.000 1.040 1050 V CB -0.363 31.509 31.823 0.081 0.000 0.671 1050 V HN 0.453 nan 8.190 nan 0.000 0.455 1051 I N 2.563 123.189 120.570 0.092 0.000 2.352 1051 I HA 0.220 4.390 4.170 -0.000 0.000 0.303 1051 I C 0.275 176.468 176.117 0.126 0.000 1.194 1051 I CA 0.643 62.026 61.300 0.139 0.000 1.518 1051 I CB -0.670 37.470 38.000 0.233 0.000 1.489 1051 I HN 0.240 nan 8.210 nan 0.000 0.702 1052 R N 2.551 123.095 120.500 0.073 0.000 2.707 1052 R HA 0.247 4.587 4.340 -0.000 0.000 0.272 1052 R C -1.039 175.285 176.300 0.040 0.000 1.011 1052 R CA -1.192 54.939 56.100 0.052 0.000 0.893 1052 R CB 1.759 32.071 30.300 0.019 0.000 1.233 1052 R HN 0.267 nan 8.270 nan 0.000 0.464 1053 D N 0.466 120.887 120.400 0.034 0.000 2.581 1053 D HA 0.056 4.696 4.640 -0.000 0.000 0.238 1053 D C 1.227 177.539 176.300 0.021 0.000 1.145 1053 D CA 2.575 56.590 54.000 0.025 0.000 0.866 1053 D CB 0.375 41.187 40.800 0.020 0.000 1.151 1053 D HN 0.696 nan 8.370 nan 0.000 0.500 1054 G N 2.801 111.613 108.800 0.020 0.000 2.253 1054 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.251 1054 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.251 1054 G C 0.814 175.726 174.900 0.020 0.000 0.998 1054 G CA 0.826 45.937 45.100 0.017 0.000 0.621 1054 G HN 0.526 nan 8.290 nan 0.000 0.524 1055 M N -0.541 119.074 119.600 0.024 0.000 2.262 1055 M HA 0.482 4.962 4.480 -0.000 0.000 0.206 1055 M C 2.466 178.786 176.300 0.034 0.000 1.517 1055 M CA 0.899 56.216 55.300 0.028 0.000 1.827 1055 M CB -0.405 32.211 32.600 0.027 0.000 1.077 1055 M HN 0.130 nan 8.290 nan 0.000 0.878 1056 G N -0.057 108.769 108.800 0.043 0.000 2.679 1056 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.212 1056 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.212 1056 G C 0.441 175.371 174.900 0.049 0.000 1.137 1056 G CA 0.172 45.303 45.100 0.050 0.000 0.787 1056 G HN 0.489 nan 8.290 nan 0.000 0.534 1057 Q N 0.226 120.053 119.800 0.045 0.000 2.333 1057 Q HA 0.546 4.886 4.340 -0.000 0.000 0.265 1057 Q C 0.259 176.274 176.000 0.025 0.000 0.989 1057 Q CA -0.642 55.184 55.803 0.038 0.000 0.842 1057 Q CB 1.486 30.252 28.738 0.047 0.000 1.262 1057 Q HN 0.145 nan 8.270 nan 0.000 0.451 1058 G N 1.444 110.255 108.800 0.017 0.000 2.532 1058 G HA2 0.106 4.066 3.960 -0.000 0.000 0.291 1058 G HA3 0.106 4.066 3.960 -0.000 0.000 0.291 1058 G C 0.118 175.022 174.900 0.007 0.000 1.349 1058 G CA -0.209 44.899 45.100 0.013 0.000 1.038 1058 G HN 0.665 nan 8.290 nan 0.000 0.518 1059 Q N -0.133 119.671 119.800 0.006 0.000 2.247 1059 Q HA 0.089 4.429 4.340 -0.000 0.000 0.204 1059 Q C 1.149 177.149 176.000 -0.001 0.000 0.872 1059 Q CA -0.246 55.559 55.803 0.003 0.000 0.951 1059 Q CB 0.096 28.837 28.738 0.005 0.000 1.099 1059 Q HN 0.652 nan 8.270 nan 0.000 0.501 1060 M N -0.538 119.060 119.600 -0.004 0.000 2.245 1060 M HA 0.214 4.694 4.480 -0.000 0.000 0.330 1060 M C -0.027 176.265 176.300 -0.014 0.000 1.098 1060 M CA 0.123 55.419 55.300 -0.008 0.000 1.172 1060 M CB 0.294 32.888 32.600 -0.009 0.000 1.467 1060 M HN -0.099 nan 8.290 nan 0.000 0.454 1061 L N 2.367 123.583 121.223 -0.013 0.000 2.475 1061 L HA 0.265 4.605 4.340 -0.000 0.000 0.253 1061 L C 1.871 178.725 176.870 -0.026 0.000 1.198 1061 L CA -0.147 54.683 54.840 -0.016 0.000 0.814 1061 L CB 0.542 42.594 42.059 -0.011 0.000 1.134 1061 L HN 1.031 nan 8.230 nan 0.000 0.478 1062 A N 1.439 124.241 122.820 -0.030 0.000 1.948 1062 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 1062 A C 2.223 179.778 177.584 -0.049 0.000 1.177 1062 A CA 2.017 54.028 52.037 -0.043 0.000 0.636 1062 A CB -0.756 18.221 19.000 -0.038 0.000 0.815 1062 A HN 0.900 nan 8.150 nan 0.000 0.449 1063 A N -0.744 122.057 122.820 -0.031 0.000 2.070 1063 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 1063 A C 1.287 178.851 177.584 -0.032 0.000 1.159 1063 A CA 1.577 53.599 52.037 -0.025 0.000 0.656 1063 A CB -0.270 18.727 19.000 -0.005 0.000 0.800 1063 A HN 0.456 nan 8.150 nan 0.000 0.453 1064 D N -0.881 119.498 120.400 -0.036 0.000 2.368 1064 D HA 0.190 4.830 4.640 -0.000 0.000 0.218 1064 D C 0.305 176.561 176.300 -0.074 0.000 1.112 1064 D CA 0.541 54.522 54.000 -0.032 0.000 0.834 1064 D CB -0.125 40.670 40.800 -0.008 0.000 0.953 1064 D HN 0.613 nan 8.370 nan 0.000 0.505 1065 C N -1.223 118.003 119.300 -0.123 0.000 3.154 1065 C HA 0.787 5.247 4.460 -0.000 0.000 0.312 1065 C C 0.389 175.220 174.990 -0.265 0.000 1.349 1065 C CA -1.212 57.706 59.018 -0.165 0.000 1.518 1065 C CB 1.114 28.797 27.740 -0.095 0.000 1.934 1065 C HN 0.019 nan 8.230 nan 0.000 0.462 1066 V N -0.093 119.641 119.914 -0.301 0.000 2.953 1066 V HA 0.404 4.524 4.120 -0.000 0.000 0.304 1066 V C 0.556 176.552 176.094 -0.162 0.000 1.073 1066 V CA 0.443 62.555 62.300 -0.313 0.000 1.064 1066 V CB 0.655 32.297 31.823 -0.302 0.000 1.047 1066 V HN 0.901 nan 8.190 nan 0.000 0.478 1067 D N 0.890 121.217 120.400 -0.122 0.000 2.194 1067 D HA 0.150 4.790 4.640 -0.000 0.000 0.204 1067 D C 0.220 176.482 176.300 -0.063 0.000 0.964 1067 D CA 1.359 55.313 54.000 -0.077 0.000 0.846 1067 D CB 0.417 41.186 40.800 -0.051 0.000 0.962 1067 D HN 0.516 nan 8.370 nan 0.000 0.490 1068 L N 0.102 121.294 121.223 -0.051 0.000 2.482 1068 L HA 0.441 4.781 4.340 -0.000 0.000 0.263 1068 L C -1.623 175.239 176.870 -0.014 0.000 0.957 1068 L CA -0.841 53.978 54.840 -0.034 0.000 0.836 1068 L CB 2.457 44.507 42.059 -0.014 0.000 1.324 1068 L HN -0.262 nan 8.230 nan 0.000 0.406 1069 V N 5.793 125.700 119.914 -0.012 0.000 2.604 1069 V HA 0.645 4.765 4.120 -0.000 0.000 0.305 1069 V C -1.247 174.864 176.094 0.028 0.000 1.043 1069 V CA -0.512 61.799 62.300 0.020 0.000 0.888 1069 V CB 1.940 33.777 31.823 0.024 0.000 0.995 1069 V HN 0.731 nan 8.190 nan 0.000 0.429 1070 L N 6.435 127.691 121.223 0.056 0.000 2.262 1070 L HA 0.513 4.852 4.340 -0.000 0.000 0.288 1070 L C 0.644 177.563 176.870 0.082 0.000 1.035 1070 L CA 0.110 54.989 54.840 0.064 0.000 0.820 1070 L CB 1.621 43.727 42.059 0.077 0.000 1.204 1070 L HN 0.869 nan 8.230 nan 0.000 0.424 1071 T N -0.309 114.295 114.554 0.084 0.000 2.856 1071 T HA 0.283 4.633 4.350 -0.000 0.000 0.292 1071 T C 0.632 175.404 174.700 0.121 0.000 0.980 1071 T CA -0.638 61.525 62.100 0.105 0.000 1.091 1071 T CB 0.572 69.510 68.868 0.117 0.000 0.936 1071 T HN 0.598 nan 8.240 nan 0.000 0.503 1072 N N -0.109 118.670 118.700 0.132 0.000 2.735 1072 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 1072 N C 0.119 175.713 175.510 0.140 0.000 1.083 1072 N CA 0.876 54.016 53.050 0.151 0.000 0.703 1072 N CB -1.740 36.859 38.487 0.186 0.000 1.005 1072 N HN 1.137 nan 8.380 nan 0.000 0.550 1073 A N 0.088 122.985 122.820 0.129 0.000 2.371 1073 A HA 0.526 4.846 4.320 -0.000 0.000 0.257 1073 A C 0.484 178.141 177.584 0.121 0.000 1.089 1073 A CA -0.409 51.704 52.037 0.126 0.000 0.794 1073 A CB 0.655 19.731 19.000 0.126 0.000 1.029 1073 A HN 0.305 nan 8.150 nan 0.000 0.488 1074 L N 3.581 124.870 121.223 0.111 0.000 2.264 1074 L HA 0.505 4.845 4.340 -0.000 0.000 0.287 1074 L C -0.565 176.342 176.870 0.063 0.000 1.039 1074 L CA -0.158 54.730 54.840 0.081 0.000 0.829 1074 L CB 0.015 42.112 42.059 0.063 0.000 1.211 1074 L HN 0.543 nan 8.230 nan 0.000 0.427 1075 I N 5.314 125.906 120.570 0.036 0.000 2.474 1075 I HA 0.279 4.449 4.170 -0.000 0.000 0.287 1075 I C -0.366 175.679 176.117 -0.120 0.000 1.048 1075 I CA -0.482 60.813 61.300 -0.010 0.000 1.383 1075 I CB 1.350 39.342 38.000 -0.014 0.000 1.412 1075 I HN 0.259 nan 8.210 nan 0.000 0.531 1076 V N 5.760 125.615 119.914 -0.097 0.000 2.376 1076 V HA 0.441 4.561 4.120 -0.000 0.000 0.287 1076 V C -0.540 175.447 176.094 -0.178 0.000 1.015 1076 V CA -0.263 61.941 62.300 -0.160 0.000 0.834 1076 V CB 1.528 33.280 31.823 -0.119 0.000 1.001 1076 V HN 0.706 nan 8.190 nan 0.000 0.428 1077 D N 0.913 121.074 120.400 -0.398 0.000 2.664 1077 D HA 0.286 4.926 4.640 -0.000 0.000 0.292 1077 D C 0.783 176.853 176.300 -0.383 0.000 1.214 1077 D CA -0.356 53.401 54.000 -0.405 0.000 0.932 1077 D CB 1.455 41.806 40.800 -0.748 0.000 1.420 1077 D HN 0.687 nan 8.370 nan 0.000 0.471 1078 H N -0.418 118.572 119.070 -0.134 0.000 2.456 1078 H HA -0.006 4.550 4.556 -0.000 0.000 0.296 1078 H C 1.456 176.896 175.328 0.188 0.000 1.079 1078 H CA 1.592 57.683 56.048 0.072 0.000 1.322 1078 H CB -0.314 29.500 29.762 0.086 0.000 1.388 1078 H HN 0.474 nan 8.280 nan 0.000 0.538 1079 W N 0.651 121.727 121.300 -0.373 0.000 3.197 1079 W HA 0.580 5.240 4.660 -0.000 0.000 0.274 1079 W C -0.158 176.357 176.519 -0.006 0.000 1.297 1079 W CA 0.199 57.454 57.345 -0.150 0.000 1.662 1079 W CB 0.122 29.404 29.460 -0.296 0.000 1.106 1079 W HN 0.381 nan 8.180 nan 0.000 0.663 1080 G N 0.899 109.461 108.800 -0.397 0.000 2.325 1080 G HA2 0.407 4.367 3.960 -0.000 0.000 0.297 1080 G HA3 0.407 4.367 3.960 -0.000 0.000 0.297 1080 G C -2.110 172.535 174.900 -0.425 0.000 1.448 1080 G CA -1.084 43.876 45.100 -0.233 0.000 0.838 1080 G HN 0.047 nan 8.290 nan 0.000 0.579 1081 I N 1.385 121.836 120.570 -0.197 0.000 2.495 1081 I HA 0.474 4.644 4.170 -0.000 0.000 0.277 1081 I C 0.007 176.085 176.117 -0.066 0.000 1.045 1081 I CA -0.945 60.261 61.300 -0.157 0.000 1.135 1081 I CB 1.554 39.493 38.000 -0.102 0.000 1.241 1081 I HN 0.575 nan 8.210 nan 0.000 0.469 1082 V N 2.239 122.118 119.914 -0.058 0.000 2.876 1082 V HA 0.656 4.776 4.120 -0.000 0.000 0.312 1082 V C -0.609 175.526 176.094 0.069 0.000 1.085 1082 V CA -1.046 61.281 62.300 0.045 0.000 0.945 1082 V CB 2.087 33.992 31.823 0.138 0.000 1.017 1082 V HN 0.514 nan 8.190 nan 0.000 0.428 1083 K N 2.488 122.944 120.400 0.093 0.000 2.227 1083 K HA 0.884 5.204 4.320 -0.000 0.000 0.280 1083 K C -0.356 176.314 176.600 0.116 0.000 1.041 1083 K CA 0.726 57.080 56.287 0.112 0.000 0.905 1083 K CB 0.814 33.393 32.500 0.132 0.000 1.068 1083 K HN 1.570 nan 8.250 nan 0.000 0.470 1084 A N 3.348 126.242 122.820 0.124 0.000 2.586 1084 A HA 0.448 4.768 4.320 -0.000 0.000 0.290 1084 A C -1.657 175.999 177.584 0.121 0.000 1.086 1084 A CA -0.953 51.156 52.037 0.120 0.000 0.665 1084 A CB 0.846 19.934 19.000 0.148 0.000 1.279 1084 A HN 0.663 nan 8.150 nan 0.000 0.423 1085 D N 0.302 120.768 120.400 0.110 0.000 2.253 1085 D HA 0.626 5.266 4.640 -0.000 0.000 0.249 1085 D C -0.584 175.790 176.300 0.122 0.000 1.049 1085 D CA 0.352 54.417 54.000 0.109 0.000 0.929 1085 D CB 1.440 42.298 40.800 0.095 0.000 1.176 1085 D HN 0.425 nan 8.370 nan 0.000 0.437 1086 I N 0.503 121.146 120.570 0.121 0.000 2.465 1086 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 1086 I C 0.533 176.727 176.117 0.128 0.000 1.014 1086 I CA -0.787 60.595 61.300 0.137 0.000 1.093 1086 I CB 2.254 40.338 38.000 0.141 0.000 1.267 1086 I HN 0.214 nan 8.210 nan 0.000 0.431 1087 G N 5.132 114.032 108.800 0.167 0.000 2.416 1087 G HA2 0.636 4.596 3.960 -0.000 0.000 0.324 1087 G HA3 0.636 4.596 3.960 -0.000 0.000 0.324 1087 G C -1.138 173.876 174.900 0.191 0.000 1.194 1087 G CA -0.368 44.831 45.100 0.165 0.000 0.922 1087 G HN 0.325 nan 8.290 nan 0.000 0.467 1088 V N 2.067 122.042 119.914 0.102 0.000 2.540 1088 V HA 0.629 4.749 4.120 -0.000 0.000 0.302 1088 V C -0.129 175.988 176.094 0.038 0.000 1.035 1088 V CA -0.798 61.565 62.300 0.105 0.000 0.873 1088 V CB 1.876 33.745 31.823 0.076 0.000 0.992 1088 V HN 0.773 nan 8.190 nan 0.000 0.428 1089 K N 2.778 123.225 120.400 0.079 0.000 2.513 1089 K HA 0.376 4.696 4.320 -0.000 0.000 0.251 1089 K C -0.769 175.873 176.600 0.070 0.000 0.939 1089 K CA -0.528 55.766 56.287 0.012 0.000 0.793 1089 K CB 1.460 33.911 32.500 -0.082 0.000 1.241 1089 K HN 0.733 nan 8.250 nan 0.000 0.431 1090 D N 2.804 123.234 120.400 0.051 0.000 2.811 1090 D HA -0.202 4.438 4.640 -0.000 0.000 0.231 1090 D C 0.614 176.977 176.300 0.104 0.000 1.157 1090 D CA 1.808 55.858 54.000 0.083 0.000 0.716 1090 D CB -1.091 39.761 40.800 0.086 0.000 1.077 1090 D HN 1.096 nan 8.370 nan 0.000 0.428 1091 G N -0.645 108.213 108.800 0.096 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 0.394 175.347 174.900 0.088 0.000 0.977 1091 G CA 0.653 45.812 45.100 0.097 0.000 0.641 1091 G HN 0.542 nan 8.290 nan 0.000 0.533 1092 R N -0.834 119.726 120.500 0.100 0.000 2.873 1092 R HA 0.695 5.035 4.340 -0.000 0.000 0.264 1092 R C -0.018 176.364 176.300 0.137 0.000 1.026 1092 R CA -1.141 55.025 56.100 0.109 0.000 1.002 1092 R CB 1.293 31.654 30.300 0.102 0.000 1.174 1092 R HN 0.157 nan 8.270 nan 0.000 0.488 1093 I N 2.055 122.702 120.570 0.130 0.000 2.452 1093 I HA -0.026 4.144 4.170 -0.000 0.000 0.287 1093 I C 0.835 177.052 176.117 0.167 0.000 1.079 1093 I CA 0.269 61.658 61.300 0.148 0.000 1.387 1093 I CB 0.444 38.517 38.000 0.122 0.000 1.404 1093 I HN 0.608 nan 8.210 nan 0.000 0.522 1094 F N 6.867 126.842 119.950 0.041 0.000 2.262 1094 F HA 0.442 4.969 4.527 -0.000 0.000 0.292 1094 F C 0.942 176.756 175.800 0.023 0.000 1.081 1094 F CA 0.578 58.596 58.000 0.031 0.000 1.355 1094 F CB 0.361 39.379 39.000 0.029 0.000 1.069 1094 F HN 0.460 nan 8.300 nan 0.000 0.506 1095 A N -0.053 122.833 122.820 0.110 0.000 2.597 1095 A HA 0.590 4.910 4.320 -0.000 0.000 0.292 1095 A C -1.774 175.867 177.584 0.095 0.000 1.057 1095 A CA -0.527 51.514 52.037 0.007 0.000 0.674 1095 A CB 0.461 19.496 19.000 0.059 0.000 1.278 1095 A HN 0.097 nan 8.150 nan 0.000 0.416 1096 I N 1.351 121.951 120.570 0.050 0.000 2.410 1096 I HA 0.677 4.847 4.170 -0.000 0.000 0.286 1096 I C 0.750 176.912 176.117 0.075 0.000 1.009 1096 I CA 0.826 62.183 61.300 0.096 0.000 1.111 1096 I CB 1.902 39.969 38.000 0.113 0.000 1.262 1096 I HN 1.192 nan 8.210 nan 0.000 0.443 1097 G N 5.136 113.990 108.800 0.090 0.000 2.586 1097 G HA2 0.215 4.175 3.960 -0.000 0.000 0.105 1097 G HA3 0.215 4.175 3.960 -0.000 0.000 0.105 1097 G C -1.572 173.368 174.900 0.066 0.000 1.129 1097 G CA -0.496 44.643 45.100 0.066 0.000 1.127 1097 G HN 0.310 nan 8.290 nan 0.000 0.532 1098 K N 0.958 121.392 120.400 0.057 0.000 2.413 1098 K HA 0.740 5.060 4.320 -0.000 0.000 0.257 1098 K C -0.369 176.266 176.600 0.059 0.000 0.946 1098 K CA -0.183 56.133 56.287 0.047 0.000 0.823 1098 K CB 1.343 33.856 32.500 0.021 0.000 1.109 1098 K HN 0.843 nan 8.250 nan 0.000 0.427 1099 A N 2.268 125.125 122.820 0.062 0.000 2.269 1099 A HA 0.913 5.233 4.320 -0.000 0.000 0.319 1099 A C 0.226 177.841 177.584 0.052 0.000 1.110 1099 A CA 0.252 52.326 52.037 0.062 0.000 0.847 1099 A CB 1.050 20.090 19.000 0.066 0.000 1.161 1099 A HN 0.900 nan 8.150 nan 0.000 0.497 1100 G N -0.158 108.669 108.800 0.046 0.000 2.332 1100 G HA2 0.289 4.249 3.960 -0.000 0.000 0.265 1100 G HA3 0.289 4.249 3.960 -0.000 0.000 0.265 1100 G C -1.530 173.391 174.900 0.034 0.000 1.329 1100 G CA -0.225 44.900 45.100 0.042 0.000 0.949 1100 G HN 1.151 nan 8.290 nan 0.000 0.476 1101 N N 1.085 119.804 118.700 0.032 0.000 2.518 1101 N HA 0.598 5.338 4.740 -0.000 0.000 0.254 1101 N C -1.554 173.970 175.510 0.024 0.000 0.979 1101 N CA -2.339 50.727 53.050 0.026 0.000 0.930 1101 N CB 2.372 40.874 38.487 0.026 0.000 1.152 1101 N HN 0.059 nan 8.380 nan 0.000 0.505 1102 P HA -0.016 nan 4.420 nan 0.000 0.228 1102 P C 0.243 177.554 177.300 0.019 0.000 1.151 1102 P CA 0.752 63.865 63.100 0.022 0.000 0.770 1102 P CB 0.458 32.173 31.700 0.024 0.000 0.786 1103 D N -0.473 119.938 120.400 0.018 0.000 2.219 1103 D HA -0.078 4.562 4.640 -0.000 0.000 0.205 1103 D C 1.554 177.864 176.300 0.016 0.000 0.970 1103 D CA 1.148 55.157 54.000 0.016 0.000 0.851 1103 D CB -0.021 40.788 40.800 0.015 0.000 0.943 1103 D HN 0.372 nan 8.370 nan 0.000 0.488 1104 I N -3.818 116.763 120.570 0.018 0.000 4.442 1104 I HA 0.241 4.411 4.170 -0.000 0.000 0.331 1104 I C -0.145 175.983 176.117 0.019 0.000 1.364 1104 I CA -0.423 60.887 61.300 0.018 0.000 1.207 1104 I CB 0.400 38.412 38.000 0.019 0.000 1.298 1104 I HN -0.332 nan 8.210 nan 0.000 0.463 1105 Q N 3.130 122.942 119.800 0.020 0.000 2.348 1105 Q HA 0.589 4.929 4.340 -0.000 0.000 0.271 1105 Q C -2.675 173.335 176.000 0.016 0.000 1.067 1105 Q CA -1.984 53.830 55.803 0.019 0.000 0.839 1105 Q CB 2.372 31.124 28.738 0.023 0.000 1.354 1105 Q HN 0.047 nan 8.270 nan 0.000 0.447 1106 P HA 0.163 nan 4.420 nan 0.000 0.284 1106 P C -0.969 176.335 177.300 0.007 0.000 1.258 1106 P CA -0.264 62.841 63.100 0.009 0.000 0.824 1106 P CB 0.645 32.347 31.700 0.005 0.000 1.038 1107 N N -1.464 117.240 118.700 0.007 0.000 2.725 1107 N HA -0.120 4.620 4.740 -0.000 0.000 0.249 1107 N C -0.461 175.058 175.510 0.015 0.000 1.103 1107 N CA -0.027 53.027 53.050 0.006 0.000 0.707 1107 N CB -1.378 37.105 38.487 -0.007 0.000 1.043 1107 N HN 0.170 nan 8.380 nan 0.000 0.553 1108 V N 1.052 120.980 119.914 0.023 0.000 2.470 1108 V HA 0.108 4.228 4.120 -0.000 0.000 0.276 1108 V C 1.683 177.807 176.094 0.049 0.000 1.040 1108 V CA 1.060 63.382 62.300 0.036 0.000 1.008 1108 V CB 1.218 33.063 31.823 0.037 0.000 0.990 1108 V HN 0.465 nan 8.190 nan 0.000 0.477 1109 T N 1.745 116.337 114.554 0.064 0.000 2.985 1109 T HA 0.395 4.745 4.350 -0.000 0.000 0.254 1109 T C 0.288 175.086 174.700 0.164 0.000 1.021 1109 T CA 0.189 62.343 62.100 0.089 0.000 0.957 1109 T CB 0.133 69.038 68.868 0.061 0.000 1.047 1109 T HN 0.335 nan 8.240 nan 0.000 0.511 1110 I N 3.647 124.301 120.570 0.140 0.000 2.466 1110 I HA 0.376 4.546 4.170 -0.000 0.000 0.279 1110 I C -2.755 173.402 176.117 0.068 0.000 1.033 1110 I CA -2.692 58.705 61.300 0.161 0.000 1.123 1110 I CB 2.379 40.469 38.000 0.150 0.000 1.237 1110 I HN -0.071 nan 8.210 nan 0.000 0.460 1111 P HA 0.309 nan 4.420 nan 0.000 0.281 1111 P C -0.540 176.741 177.300 -0.031 0.000 1.252 1111 P CA -0.074 63.027 63.100 0.002 0.000 0.778 1111 P CB 1.305 33.004 31.700 -0.003 0.000 0.895 1112 I N 2.461 123.026 120.570 -0.008 0.000 2.336 1112 I HA 0.489 4.659 4.170 -0.000 0.000 0.292 1112 I C 1.102 177.212 176.117 -0.011 0.000 0.991 1112 I CA -0.023 61.270 61.300 -0.011 0.000 1.227 1112 I CB 1.569 39.579 38.000 0.016 0.000 1.366 1112 I HN 0.413 nan 8.210 nan 0.000 0.466 1113 G N 3.039 111.824 108.800 -0.026 0.000 3.211 1113 G HA2 0.548 4.508 3.960 -0.000 0.000 0.262 1113 G HA3 0.548 4.508 3.960 -0.000 0.000 0.262 1113 G C 0.643 175.533 174.900 -0.016 0.000 1.352 1113 G CA 0.029 45.117 45.100 -0.019 0.000 1.004 1113 G HN 0.610 nan 8.290 nan 0.000 0.559 1114 A N -0.738 122.073 122.820 -0.014 0.000 1.978 1114 A HA 0.219 4.539 4.320 -0.000 0.000 0.220 1114 A C 2.378 179.946 177.584 -0.028 0.000 1.170 1114 A CA 2.524 54.553 52.037 -0.014 0.000 0.636 1114 A CB -0.677 18.315 19.000 -0.013 0.000 0.810 1114 A HN 1.468 nan 8.150 nan 0.000 0.448 1115 A N -0.829 121.968 122.820 -0.038 0.000 2.259 1115 A HA 0.323 4.643 4.320 -0.000 0.000 0.208 1115 A C 0.776 178.325 177.584 -0.060 0.000 1.201 1115 A CA 0.669 52.677 52.037 -0.049 0.000 0.824 1115 A CB -0.545 18.424 19.000 -0.052 0.000 0.838 1115 A HN 0.289 nan 8.150 nan 0.000 0.485 1116 T N 0.816 115.335 114.554 -0.057 0.000 2.767 1116 T HA 0.427 4.777 4.350 -0.000 0.000 0.288 1116 T C -0.255 174.396 174.700 -0.082 0.000 0.963 1116 T CA -0.333 61.727 62.100 -0.067 0.000 1.019 1116 T CB 1.499 70.334 68.868 -0.056 0.000 0.923 1116 T HN 0.458 nan 8.240 nan 0.000 0.468 1117 E N 2.290 122.435 120.200 -0.092 0.000 2.283 1117 E HA 0.553 4.903 4.350 -0.000 0.000 0.267 1117 E C -1.220 175.298 176.600 -0.137 0.000 1.045 1117 E CA -0.657 55.666 56.400 -0.128 0.000 0.884 1117 E CB 0.931 30.567 29.700 -0.107 0.000 1.106 1117 E HN 0.315 nan 8.360 nan 0.000 0.408 1118 V N 4.132 123.917 119.914 -0.215 0.000 2.656 1118 V HA 0.437 4.557 4.120 -0.000 0.000 0.307 1118 V C -0.334 175.665 176.094 -0.159 0.000 1.051 1118 V CA -0.670 61.522 62.300 -0.182 0.000 0.893 1118 V CB 1.627 33.286 31.823 -0.273 0.000 0.999 1118 V HN 0.650 nan 8.190 nan 0.000 0.426 1119 I N 3.561 124.092 120.570 -0.066 0.000 2.362 1119 I HA 0.612 4.782 4.170 -0.000 0.000 0.289 1119 I C 0.466 176.591 176.117 0.013 0.000 0.994 1119 I CA -0.600 60.682 61.300 -0.030 0.000 1.158 1119 I CB 1.843 39.837 38.000 -0.009 0.000 1.315 1119 I HN 0.709 nan 8.210 nan 0.000 0.451 1120 A N 4.993 127.832 122.820 0.032 0.000 2.350 1120 A HA 0.601 4.921 4.320 -0.000 0.000 0.293 1120 A C 0.774 178.397 177.584 0.066 0.000 1.231 1120 A CA -0.164 51.916 52.037 0.070 0.000 0.883 1120 A CB 0.460 19.514 19.000 0.090 0.000 1.133 1120 A HN 0.900 nan 8.150 nan 0.000 0.533 1121 A N 2.824 125.692 122.820 0.080 0.000 2.387 1121 A HA 0.257 4.577 4.320 -0.000 0.000 0.234 1121 A C 0.736 178.379 177.584 0.098 0.000 1.253 1121 A CA -0.175 51.914 52.037 0.087 0.000 0.894 1121 A CB -0.149 18.909 19.000 0.096 0.000 0.963 1121 A HN 0.830 nan 8.150 nan 0.000 0.508 1122 E N 0.152 120.409 120.200 0.095 0.000 2.480 1122 E HA 0.259 4.609 4.350 -0.000 0.000 0.258 1122 E C 0.853 177.500 176.600 0.077 0.000 0.984 1122 E CA 0.651 57.108 56.400 0.095 0.000 0.930 1122 E CB 0.007 29.753 29.700 0.076 0.000 0.936 1122 E HN 0.944 nan 8.360 nan 0.000 0.466 1123 G N 2.722 111.576 108.800 0.091 0.000 2.175 1123 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 1123 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 1123 G C 0.024 174.984 174.900 0.100 0.000 0.982 1123 G CA 0.341 45.490 45.100 0.082 0.000 0.641 1123 G HN 0.489 nan 8.290 nan 0.000 0.527 1124 K N -0.191 120.278 120.400 0.114 0.000 2.295 1124 K HA 0.802 5.122 4.320 -0.000 0.000 0.239 1124 K C 0.061 176.759 176.600 0.163 0.000 0.991 1124 K CA -0.926 55.450 56.287 0.148 0.000 0.845 1124 K CB 1.711 34.294 32.500 0.139 0.000 1.197 1124 K HN 0.215 nan 8.250 nan 0.000 0.441 1125 I N 1.032 121.744 120.570 0.237 0.000 2.412 1125 I HA 0.300 4.470 4.170 -0.000 0.000 0.296 1125 I C -0.560 175.784 176.117 0.378 0.000 0.987 1125 I CA -1.129 60.323 61.300 0.253 0.000 1.180 1125 I CB 1.903 40.044 38.000 0.234 0.000 1.340 1125 I HN -0.011 nan 8.210 nan 0.000 0.455 1126 V N 4.284 124.375 119.914 0.294 0.000 2.448 1126 V HA 0.565 4.685 4.120 -0.000 0.000 0.295 1126 V C 0.075 176.358 176.094 0.315 0.000 1.025 1126 V CA -0.446 62.027 62.300 0.287 0.000 0.859 1126 V CB 1.774 33.707 31.823 0.185 0.000 0.988 1126 V HN 0.902 nan 8.190 nan 0.000 0.431 1127 T N 1.546 116.343 114.554 0.406 0.000 2.907 1127 T HA 0.873 5.223 4.350 -0.000 0.000 0.290 1127 T C 0.051 174.938 174.700 0.311 0.000 1.066 1127 T CA -0.341 61.986 62.100 0.379 0.000 1.012 1127 T CB 1.934 71.126 68.868 0.540 0.000 1.184 1127 T HN 1.019 nan 8.240 nan 0.000 0.522 1128 A N 0.323 123.310 122.820 0.277 0.000 2.386 1128 A HA 0.637 4.957 4.320 -0.000 0.000 0.246 1128 A C 0.976 178.729 177.584 0.282 0.000 1.089 1128 A CA -0.082 52.104 52.037 0.249 0.000 0.790 1128 A CB -0.767 18.371 19.000 0.230 0.000 1.042 1128 A HN 1.351 nan 8.150 nan 0.000 0.497 1129 G N -0.344 108.593 108.800 0.227 0.000 2.467 1129 G HA2 0.485 4.445 3.960 -0.000 0.000 0.257 1129 G HA3 0.485 4.445 3.960 -0.000 0.000 0.257 1129 G C 0.520 175.585 174.900 0.275 0.000 1.227 1129 G CA 0.166 45.404 45.100 0.231 0.000 0.835 1129 G HN 1.146 nan 8.290 nan 0.000 0.556 1130 G N -0.623 108.368 108.800 0.319 0.000 2.606 1130 G HA2 0.454 4.414 3.960 -0.000 0.000 0.252 1130 G HA3 0.454 4.414 3.960 -0.000 0.000 0.252 1130 G C -0.293 174.750 174.900 0.239 0.000 1.206 1130 G CA -0.560 44.766 45.100 0.376 0.000 0.861 1130 G HN 0.617 nan 8.290 nan 0.000 0.561 1131 I N 1.159 121.870 120.570 0.233 0.000 2.476 1131 I HA 0.162 4.332 4.170 -0.000 0.000 0.281 1131 I C -1.205 174.989 176.117 0.128 0.000 1.040 1131 I CA -0.683 60.712 61.300 0.158 0.000 1.094 1131 I CB 1.928 40.009 38.000 0.135 0.000 1.219 1131 I HN 0.325 nan 8.210 nan 0.000 0.450 1132 D N 4.514 124.962 120.400 0.080 0.000 2.280 1132 D HA 0.212 4.852 4.640 -0.000 0.000 0.236 1132 D C 0.869 177.174 176.300 0.008 0.000 1.082 1132 D CA -0.205 53.819 54.000 0.040 0.000 0.834 1132 D CB 1.615 42.410 40.800 -0.009 0.000 1.100 1132 D HN 0.596 nan 8.370 nan 0.000 0.486 1133 T N 0.308 114.881 114.554 0.032 0.000 3.145 1133 T HA 0.121 4.471 4.350 -0.000 0.000 0.255 1133 T C 0.562 175.231 174.700 -0.053 0.000 1.039 1133 T CA -0.099 61.994 62.100 -0.011 0.000 0.928 1133 T CB -0.451 68.475 68.868 0.097 0.000 1.029 1133 T HN 0.498 nan 8.240 nan 0.000 0.554 1134 H N 0.677 119.593 119.070 -0.257 0.000 2.439 1134 H HA 0.469 5.025 4.556 -0.000 0.000 0.230 1134 H C -0.882 174.258 175.328 -0.313 0.000 1.420 1134 H CA -0.944 54.808 56.048 -0.493 0.000 1.305 1134 H CB -0.113 29.199 29.762 -0.750 0.000 1.667 1134 H HN 0.177 nan 8.280 nan 0.000 0.515 1135 I N 2.329 122.798 120.570 -0.169 0.000 2.359 1135 I HA 0.134 4.304 4.170 -0.000 0.000 0.294 1135 I C 0.240 176.134 176.117 -0.371 0.000 0.987 1135 I CA -0.333 60.762 61.300 -0.341 0.000 1.225 1135 I CB 1.111 38.661 38.000 -0.748 0.000 1.366 1135 I HN 0.566 nan 8.210 nan 0.000 0.466 1136 H N 5.496 124.421 119.070 -0.241 0.000 2.594 1136 H HA 0.112 4.668 4.556 -0.000 0.000 0.304 1136 H C -0.697 174.545 175.328 -0.145 0.000 1.068 1136 H CA -0.292 55.695 56.048 -0.101 0.000 1.308 1136 H CB 0.695 30.458 29.762 0.003 0.000 1.409 1136 H HN 0.554 nan 8.280 nan 0.000 0.460 1137 W N 5.322 126.693 121.300 0.117 0.000 1.371 1137 W HA 0.120 4.780 4.660 -0.000 0.000 0.482 1137 W C 0.944 177.510 176.519 0.079 0.000 0.640 1137 W CA -0.303 57.090 57.345 0.081 0.000 2.164 1137 W CB -0.380 29.107 29.460 0.046 0.000 1.613 1137 W HN 0.635 nan 8.180 nan 0.000 0.212 1138 I N 1.099 121.841 120.570 0.285 0.000 2.500 1138 I HA -0.089 4.081 4.170 -0.000 0.000 0.252 1138 I C 1.122 177.354 176.117 0.192 0.000 1.142 1138 I CA 0.634 62.061 61.300 0.211 0.000 1.451 1138 I CB -0.187 37.936 38.000 0.204 0.000 1.093 1138 I HN 0.221 nan 8.210 nan 0.000 0.430 1139 C N -2.799 116.633 119.300 0.220 0.000 3.285 1139 C HA 0.396 4.856 4.460 -0.000 0.000 0.325 1139 C C -2.081 173.042 174.990 0.221 0.000 1.304 1139 C CA -1.345 57.778 59.018 0.176 0.000 1.319 1139 C CB 1.016 28.828 27.740 0.121 0.000 1.640 1139 C HN -0.094 nan 8.230 nan 0.000 0.477 1140 P HA -0.027 nan 4.420 nan 0.000 0.223 1140 P C 1.124 178.511 177.300 0.145 0.000 1.151 1140 P CA 1.462 64.644 63.100 0.136 0.000 0.787 1140 P CB 0.111 31.841 31.700 0.050 0.000 0.788 1141 Q N -0.166 119.704 119.800 0.116 0.000 2.364 1141 Q HA -0.099 4.241 4.340 -0.000 0.000 0.207 1141 Q C 2.187 178.246 176.000 0.099 0.000 0.970 1141 Q CA 1.111 56.967 55.803 0.088 0.000 0.888 1141 Q CB -0.836 27.938 28.738 0.059 0.000 0.951 1141 Q HN 0.449 nan 8.270 nan 0.000 0.469 1142 Q N -0.549 119.335 119.800 0.140 0.000 2.224 1142 Q HA -0.059 4.281 4.340 -0.000 0.000 0.203 1142 Q C 1.915 177.995 176.000 0.134 0.000 0.970 1142 Q CA 1.067 56.936 55.803 0.109 0.000 0.865 1142 Q CB -0.126 28.671 28.738 0.098 0.000 0.922 1142 Q HN 0.472 nan 8.270 nan 0.000 0.445 1143 A N 1.211 124.165 122.820 0.224 0.000 1.898 1143 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 1143 A C 1.882 179.529 177.584 0.106 0.000 1.181 1143 A CA 1.549 53.712 52.037 0.211 0.000 0.620 1143 A CB -0.381 18.764 19.000 0.242 0.000 0.819 1143 A HN 0.386 nan 8.150 nan 0.000 0.442 1144 E N -0.679 119.567 120.200 0.077 0.000 2.152 1144 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 1144 E C 1.916 178.520 176.600 0.006 0.000 0.983 1144 E CA 1.149 57.572 56.400 0.038 0.000 0.818 1144 E CB -0.046 29.677 29.700 0.038 0.000 0.758 1144 E HN 0.604 nan 8.360 nan 0.000 0.467 1145 E N 0.224 120.430 120.200 0.012 0.000 2.077 1145 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 1145 E C 1.728 178.307 176.600 -0.035 0.000 0.989 1145 E CA 1.405 57.793 56.400 -0.019 0.000 0.800 1145 E CB -0.199 29.495 29.700 -0.010 0.000 0.746 1145 E HN 0.338 nan 8.360 nan 0.000 0.452 1146 A N 0.178 122.992 122.820 -0.009 0.000 1.898 1146 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 1146 A C 2.154 179.731 177.584 -0.011 0.000 1.181 1146 A CA 1.304 53.335 52.037 -0.011 0.000 0.620 1146 A CB -0.704 18.303 19.000 0.011 0.000 0.819 1146 A HN 0.359 nan 8.150 nan 0.000 0.442 1147 L N -0.100 121.122 121.223 -0.002 0.000 2.017 1147 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 1147 L C 2.379 179.199 176.870 -0.084 0.000 1.073 1147 L CA 1.796 56.628 54.840 -0.013 0.000 0.745 1147 L CB -0.462 41.602 42.059 0.008 0.000 0.894 1147 L HN 0.147 nan 8.230 nan 0.000 0.432 1148 V N -0.321 119.505 119.914 -0.145 0.000 2.469 1148 V HA -0.274 3.846 4.120 -0.000 0.000 0.251 1148 V C 2.669 178.582 176.094 -0.302 0.000 1.064 1148 V CA 1.798 63.891 62.300 -0.345 0.000 1.066 1148 V CB -0.846 30.713 31.823 -0.440 0.000 0.667 1148 V HN 0.781 nan 8.190 nan 0.000 0.461 1149 S N -0.454 115.159 115.700 -0.144 0.000 2.522 1149 S HA 0.214 4.684 4.470 -0.000 0.000 0.227 1149 S C 1.537 176.161 174.600 0.040 0.000 0.986 1149 S CA 0.943 59.118 58.200 -0.041 0.000 0.929 1149 S CB 0.570 63.758 63.200 -0.021 0.000 0.769 1149 S HN 1.195 nan 8.310 nan 0.000 0.529 1150 G N -0.299 108.490 108.800 -0.019 0.000 2.168 1150 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.197 1150 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.197 1150 G C -0.163 174.803 174.900 0.110 0.000 0.997 1150 G CA -0.162 44.969 45.100 0.052 0.000 0.658 1150 G HN 0.610 nan 8.290 nan 0.000 0.513 1151 V N 2.047 122.000 119.914 0.066 0.000 2.370 1151 V HA 0.583 4.703 4.120 -0.000 0.000 0.279 1151 V C 1.380 177.530 176.094 0.092 0.000 1.029 1151 V CA 0.695 63.049 62.300 0.091 0.000 0.870 1151 V CB 1.419 33.272 31.823 0.050 0.000 0.984 1151 V HN 0.612 nan 8.190 nan 0.000 0.451 1152 T N -0.292 114.335 114.554 0.122 0.000 3.054 1152 T HA 0.179 4.529 4.350 -0.000 0.000 0.255 1152 T C 0.555 175.343 174.700 0.147 0.000 1.035 1152 T CA -0.069 62.102 62.100 0.118 0.000 0.941 1152 T CB 0.270 69.207 68.868 0.115 0.000 1.026 1152 T HN 0.528 nan 8.240 nan 0.000 0.533 1153 T N 2.236 116.888 114.554 0.163 0.000 2.921 1153 T HA 0.668 5.018 4.350 -0.000 0.000 0.297 1153 T C -1.125 173.680 174.700 0.175 0.000 1.013 1153 T CA -0.555 61.667 62.100 0.203 0.000 0.990 1153 T CB 1.782 70.782 68.868 0.219 0.000 1.023 1153 T HN 0.196 nan 8.240 nan 0.000 0.447 1154 M N 3.100 122.831 119.600 0.219 0.000 2.204 1154 M HA 0.551 5.031 4.480 -0.000 0.000 0.293 1154 M C -1.194 175.238 176.300 0.220 0.000 0.994 1154 M CA -0.864 54.534 55.300 0.163 0.000 0.925 1154 M CB 2.357 35.074 32.600 0.195 0.000 1.577 1154 M HN 0.236 nan 8.290 nan 0.000 0.439 1155 V N 2.491 122.440 119.914 0.059 0.000 2.448 1155 V HA 0.999 5.119 4.120 -0.000 0.000 0.295 1155 V C 0.199 176.262 176.094 -0.052 0.000 1.025 1155 V CA -0.254 62.063 62.300 0.029 0.000 0.859 1155 V CB 1.503 33.232 31.823 -0.158 0.000 0.988 1155 V HN 1.067 nan 8.190 nan 0.000 0.431 1156 G N 2.870 111.705 108.800 0.058 0.000 2.427 1156 G HA2 0.710 4.670 3.960 -0.000 0.000 0.306 1156 G HA3 0.710 4.670 3.960 -0.000 0.000 0.306 1156 G C -0.711 174.274 174.900 0.141 0.000 1.280 1156 G CA 0.070 45.125 45.100 -0.075 0.000 0.837 1156 G HN 1.055 nan 8.290 nan 0.000 0.482 1157 G N -2.078 106.769 108.800 0.079 0.000 2.690 1157 G HA2 1.007 4.967 3.960 -0.000 0.000 0.291 1157 G HA3 1.007 4.967 3.960 -0.000 0.000 0.291 1157 G C -0.237 174.822 174.900 0.265 0.000 1.403 1157 G CA 0.155 45.398 45.100 0.238 0.000 0.864 1157 G HN 2.182 nan 8.290 nan 0.000 0.480 1158 G N -1.625 107.329 108.800 0.257 0.000 2.350 1158 G HA2 0.517 4.477 3.960 -0.000 0.000 0.304 1158 G HA3 0.517 4.477 3.960 -0.000 0.000 0.304 1158 G C 0.083 175.049 174.900 0.111 0.000 1.421 1158 G CA 0.911 46.128 45.100 0.195 0.000 0.934 1158 G HN 1.705 nan 8.290 nan 0.000 0.632 1159 T N -2.821 111.737 114.554 0.007 0.000 3.144 1159 T HA 0.649 4.999 4.350 -0.000 0.000 0.290 1159 T C 1.210 175.907 174.700 -0.004 0.000 0.966 1159 T CA 1.176 63.227 62.100 -0.081 0.000 0.907 1159 T CB 0.439 69.028 68.868 -0.465 0.000 1.152 1159 T HN 2.719 nan 8.240 nan 0.000 0.532 1160 G N 2.340 111.168 108.800 0.047 0.000 2.316 1160 G HA2 0.186 4.146 3.960 -0.000 0.000 0.349 1160 G HA3 0.186 4.146 3.960 -0.000 0.000 0.349 1160 G C -3.071 171.820 174.900 -0.015 0.000 1.274 1160 G CA -0.471 44.661 45.100 0.053 0.000 1.018 1160 G HN 0.079 nan 8.290 nan 0.000 0.486 1161 P HA 0.520 nan 4.420 nan 0.000 0.225 1161 P C -0.114 176.990 177.300 -0.326 0.000 1.813 1161 P CA 0.746 63.786 63.100 -0.099 0.000 1.013 1161 P CB 0.363 32.158 31.700 0.159 0.000 1.961 1162 A N 1.503 124.041 122.820 -0.470 0.000 2.340 1162 A HA 0.653 4.973 4.320 -0.000 0.000 0.331 1162 A C 1.552 178.856 177.584 -0.466 0.000 1.140 1162 A CA -0.239 51.603 52.037 -0.325 0.000 0.801 1162 A CB 1.193 20.091 19.000 -0.170 0.000 1.234 1162 A HN 0.241 nan 8.150 nan 0.000 0.469 1163 A N 1.660 124.338 122.820 -0.236 0.000 1.927 1163 A HA -0.037 4.283 4.320 -0.000 0.000 0.220 1163 A C 2.183 179.715 177.584 -0.087 0.000 1.185 1163 A CA 2.745 54.648 52.037 -0.223 0.000 0.639 1163 A CB -1.307 17.420 19.000 -0.455 0.000 0.820 1163 A HN 1.611 nan 8.150 nan 0.000 0.451 1164 G N -1.651 107.111 108.800 -0.065 0.000 2.440 1164 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 1164 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 1164 G C 1.554 176.543 174.900 0.148 0.000 1.154 1164 G CA 1.667 46.815 45.100 0.080 0.000 0.767 1164 G HN 0.456 nan 8.290 nan 0.000 0.552 1165 T N -0.186 114.412 114.554 0.075 0.000 2.942 1165 T HA 0.015 4.365 4.350 -0.000 0.000 0.265 1165 T C 2.098 176.938 174.700 0.232 0.000 1.062 1165 T CA 0.762 62.943 62.100 0.135 0.000 1.139 1165 T CB -0.230 68.659 68.868 0.036 0.000 0.883 1165 T HN 0.275 nan 8.240 nan 0.000 0.468 1166 H N 1.189 120.354 119.070 0.159 0.000 2.387 1166 H HA 0.144 4.700 4.556 -0.000 0.000 0.299 1166 H C 2.367 177.657 175.328 -0.063 0.000 1.090 1166 H CA 1.242 57.327 56.048 0.063 0.000 1.332 1166 H CB -0.371 29.479 29.762 0.146 0.000 1.386 1166 H HN 0.410 nan 8.280 nan 0.000 0.516 1167 A N 0.053 122.981 122.820 0.179 0.000 1.997 1167 A HA 0.094 4.414 4.320 -0.000 0.000 0.212 1167 A C 1.212 178.846 177.584 0.084 0.000 1.178 1167 A CA 1.068 53.097 52.037 -0.012 0.000 0.698 1167 A CB 0.094 19.099 19.000 0.008 0.000 0.842 1167 A HN 0.445 nan 8.150 nan 0.000 0.458 1168 T N -2.951 111.726 114.554 0.204 0.000 2.903 1168 T HA 0.444 4.794 4.350 -0.000 0.000 0.299 1168 T C -0.242 174.525 174.700 0.113 0.000 1.093 1168 T CA 0.221 62.420 62.100 0.166 0.000 1.002 1168 T CB 1.290 70.150 68.868 -0.013 0.000 1.127 1168 T HN 0.315 nan 8.240 nan 0.000 0.488 1169 T N 0.256 114.779 114.554 -0.053 0.000 4.058 1169 T HA 0.469 4.819 4.350 -0.000 0.000 0.252 1169 T C 0.061 174.780 174.700 0.032 0.000 1.264 1169 T CA -0.633 61.336 62.100 -0.218 0.000 1.094 1169 T CB -1.866 66.867 68.868 -0.225 0.000 1.316 1169 T HN 0.707 nan 8.240 nan 0.000 0.872 1170 C N 1.730 121.095 119.300 0.108 0.000 2.498 1170 C HA 0.633 5.093 4.460 -0.000 0.000 0.316 1170 C C 0.519 175.550 174.990 0.068 0.000 1.209 1170 C CA -0.805 58.265 59.018 0.087 0.000 1.518 1170 C CB 1.540 29.329 27.740 0.081 0.000 2.147 1170 C HN 0.673 nan 8.230 nan 0.000 0.483 1171 T N 4.588 119.170 114.554 0.047 0.000 2.929 1171 T HA 0.339 4.689 4.350 -0.000 0.000 0.331 1171 T C -2.735 171.977 174.700 0.021 0.000 1.120 1171 T CA -0.718 61.410 62.100 0.047 0.000 0.973 1171 T CB 0.404 69.326 68.868 0.089 0.000 1.036 1171 T HN 0.427 nan 8.240 nan 0.000 0.502 1172 P HA 0.479 nan 4.420 nan 0.000 0.287 1172 P C 0.479 177.840 177.300 0.103 0.000 1.294 1172 P CA 0.490 63.571 63.100 -0.033 0.000 0.776 1172 P CB 0.679 32.307 31.700 -0.121 0.000 0.889 1173 G N 5.229 114.064 108.800 0.059 0.000 2.712 1173 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 1173 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 1173 G C -2.248 172.727 174.900 0.126 0.000 1.321 1173 G CA -0.902 44.253 45.100 0.091 0.000 0.813 1173 G HN 0.237 nan 8.290 nan 0.000 0.599 1174 P HA -0.112 nan 4.420 nan 0.000 0.216 1174 P C 1.639 179.003 177.300 0.106 0.000 1.153 1174 P CA 2.077 65.227 63.100 0.084 0.000 0.858 1174 P CB 0.042 31.785 31.700 0.070 0.000 0.789 1175 W N -1.086 120.186 121.300 -0.047 0.000 2.355 1175 W HA -0.171 4.489 4.660 -0.000 0.000 0.309 1175 W C 2.230 178.670 176.519 -0.132 0.000 1.206 1175 W CA 1.458 58.729 57.345 -0.124 0.000 1.284 1175 W CB -1.040 28.293 29.460 -0.211 0.000 1.145 1175 W HN -0.068 nan 8.180 nan 0.000 0.502 1176 Y N -0.170 120.280 120.300 0.250 0.000 2.200 1176 Y HA -0.212 4.338 4.550 -0.000 0.000 0.290 1176 Y C 2.402 178.275 175.900 -0.045 0.000 1.137 1176 Y CA 1.683 59.837 58.100 0.091 0.000 1.163 1176 Y CB -0.551 38.009 38.460 0.166 0.000 0.988 1176 Y HN -0.146 nan 8.280 nan 0.000 0.518 1177 I N -0.926 119.724 120.570 0.132 0.000 2.208 1177 I HA -0.362 3.808 4.170 -0.000 0.000 0.245 1177 I C 2.301 178.390 176.117 -0.046 0.000 1.097 1177 I CA 1.397 62.723 61.300 0.043 0.000 1.363 1177 I CB -0.408 37.617 38.000 0.042 0.000 1.051 1177 I HN 0.112 nan 8.210 nan 0.000 0.413 1178 S N 0.237 115.872 115.700 -0.108 0.000 2.356 1178 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 1178 S C 2.072 176.521 174.600 -0.251 0.000 1.032 1178 S CA 1.199 59.292 58.200 -0.179 0.000 1.005 1178 S CB -0.238 62.825 63.200 -0.228 0.000 0.867 1178 S HN 0.272 nan 8.310 nan 0.000 0.449 1179 R N 1.029 121.305 120.500 -0.373 0.000 2.096 1179 R HA 0.159 4.499 4.340 -0.000 0.000 0.235 1179 R C 2.233 178.410 176.300 -0.205 0.000 1.127 1179 R CA 1.191 57.068 56.100 -0.372 0.000 0.968 1179 R CB -0.383 29.604 30.300 -0.522 0.000 0.861 1179 R HN 0.326 nan 8.270 nan 0.000 0.440 1180 M N -0.334 119.185 119.600 -0.136 0.000 2.254 1180 M HA -0.030 4.450 4.480 -0.000 0.000 0.265 1180 M C 2.030 178.229 176.300 -0.168 0.000 1.066 1180 M CA 1.223 56.435 55.300 -0.146 0.000 1.123 1180 M CB -0.551 31.979 32.600 -0.115 0.000 1.388 1180 M HN 0.149 nan 8.290 nan 0.000 0.425 1181 L N -0.246 120.898 121.223 -0.131 0.000 2.056 1181 L HA -0.235 4.105 4.340 -0.000 0.000 0.207 1181 L C 2.574 179.364 176.870 -0.133 0.000 1.078 1181 L CA 1.254 56.025 54.840 -0.116 0.000 0.749 1181 L CB -0.546 41.461 42.059 -0.087 0.000 0.901 1181 L HN 0.364 nan 8.230 nan 0.000 0.433 1182 Q N -0.326 119.387 119.800 -0.145 0.000 2.061 1182 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 1182 Q C 2.404 178.328 176.000 -0.127 0.000 0.984 1182 Q CA 1.737 57.456 55.803 -0.139 0.000 0.846 1182 Q CB -0.303 28.345 28.738 -0.151 0.000 0.902 1182 Q HN 0.560 nan 8.270 nan 0.000 0.421 1183 A N 1.037 123.773 122.820 -0.141 0.000 1.972 1183 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 1183 A C 2.289 179.784 177.584 -0.149 0.000 1.169 1183 A CA 1.442 53.399 52.037 -0.133 0.000 0.635 1183 A CB -0.734 18.175 19.000 -0.152 0.000 0.810 1183 A HN 0.405 nan 8.150 nan 0.000 0.446 1184 A N -0.106 122.604 122.820 -0.184 0.000 2.024 1184 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 1184 A C 1.660 179.191 177.584 -0.089 0.000 1.164 1184 A CA 1.844 53.771 52.037 -0.183 0.000 0.643 1184 A CB -0.536 18.359 19.000 -0.175 0.000 0.806 1184 A HN 0.438 nan 8.150 nan 0.000 0.451 1185 D N -0.287 120.074 120.400 -0.064 0.000 2.263 1185 D HA -0.035 4.605 4.640 -0.000 0.000 0.208 1185 D C 1.631 178.007 176.300 0.126 0.000 0.971 1185 D CA 1.193 55.204 54.000 0.018 0.000 0.867 1185 D CB -0.048 40.703 40.800 -0.081 0.000 0.929 1185 D HN 0.377 nan 8.370 nan 0.000 0.492 1186 S N -0.518 115.206 115.700 0.041 0.000 2.575 1186 S HA 0.154 4.624 4.470 -0.000 0.000 0.215 1186 S C 0.812 175.415 174.600 0.006 0.000 0.966 1186 S CA -0.116 58.108 58.200 0.040 0.000 0.911 1186 S CB 0.558 63.759 63.200 0.003 0.000 0.780 1186 S HN 0.161 nan 8.310 nan 0.000 0.514 1187 L N 2.688 123.906 121.223 -0.008 0.000 2.325 1187 L HA 0.381 4.721 4.340 -0.000 0.000 0.278 1187 L C -1.903 174.981 176.870 0.022 0.000 1.023 1187 L CA -2.221 52.618 54.840 -0.002 0.000 0.811 1187 L CB 1.291 43.328 42.059 -0.036 0.000 1.249 1187 L HN -0.168 nan 8.230 nan 0.000 0.431 1188 P HA 0.022 nan 4.420 nan 0.000 0.258 1188 P C -0.418 176.916 177.300 0.056 0.000 1.403 1188 P CA 0.256 63.377 63.100 0.035 0.000 0.826 1188 P CB -0.040 31.675 31.700 0.024 0.000 1.414 1189 V N -3.445 116.516 119.914 0.079 0.000 3.001 1189 V HA 0.540 4.660 4.120 -0.000 0.000 0.314 1189 V C -0.168 175.990 176.094 0.108 0.000 1.099 1189 V CA -1.424 60.941 62.300 0.109 0.000 0.989 1189 V CB 1.670 33.593 31.823 0.167 0.000 1.040 1189 V HN -0.156 nan 8.190 nan 0.000 0.434 1190 N N 1.974 120.749 118.700 0.124 0.000 2.492 1190 N HA 0.517 5.257 4.740 -0.000 0.000 0.260 1190 N C -0.704 174.944 175.510 0.229 0.000 1.215 1190 N CA 0.208 53.328 53.050 0.118 0.000 0.923 1190 N CB 1.314 39.905 38.487 0.173 0.000 1.092 1190 N HN 0.724 nan 8.380 nan 0.000 0.448 1191 I N -0.221 120.472 120.570 0.206 0.000 2.730 1191 I HA 0.500 4.670 4.170 -0.000 0.000 0.298 1191 I C 0.337 176.683 176.117 0.382 0.000 1.089 1191 I CA -0.894 60.589 61.300 0.305 0.000 1.041 1191 I CB 2.480 40.576 38.000 0.161 0.000 1.235 1191 I HN 0.443 nan 8.210 nan 0.000 0.423 1192 G N 5.216 114.248 108.800 0.386 0.000 2.620 1192 G HA2 0.754 4.714 3.960 -0.000 0.000 0.301 1192 G HA3 0.754 4.714 3.960 -0.000 0.000 0.301 1192 G C -1.440 173.610 174.900 0.250 0.000 1.347 1192 G CA -0.531 44.764 45.100 0.325 0.000 0.971 1192 G HN 0.384 nan 8.290 nan 0.000 0.488 1193 L N 0.926 122.265 121.223 0.194 0.000 2.331 1193 L HA 0.550 4.890 4.340 -0.000 0.000 0.275 1193 L C -0.222 176.729 176.870 0.135 0.000 1.022 1193 L CA -0.896 54.056 54.840 0.185 0.000 0.812 1193 L CB 1.965 44.103 42.059 0.131 0.000 1.257 1193 L HN 0.204 nan 8.230 nan 0.000 0.435 1194 L N 1.779 123.080 121.223 0.129 0.000 2.275 1194 L HA 0.558 4.898 4.340 -0.000 0.000 0.288 1194 L C 0.699 177.605 176.870 0.060 0.000 1.046 1194 L CA -0.395 54.495 54.840 0.082 0.000 0.805 1194 L CB 1.309 43.405 42.059 0.063 0.000 1.193 1194 L HN 0.685 nan 8.230 nan 0.000 0.426 1195 G N 1.708 110.525 108.800 0.030 0.000 2.535 1195 G HA2 0.233 4.193 3.960 -0.000 0.000 0.303 1195 G HA3 0.233 4.193 3.960 -0.000 0.000 0.303 1195 G C -0.700 174.173 174.900 -0.044 0.000 1.237 1195 G CA -0.616 44.483 45.100 -0.002 0.000 0.986 1195 G HN 0.559 nan 8.290 nan 0.000 0.494 1196 K N 0.225 120.554 120.400 -0.119 0.000 2.292 1196 K HA 0.239 4.559 4.320 -0.000 0.000 0.290 1196 K C 1.234 177.736 176.600 -0.163 0.000 1.083 1196 K CA 0.072 56.217 56.287 -0.238 0.000 0.918 1196 K CB 0.299 32.495 32.500 -0.507 0.000 1.089 1196 K HN 0.454 nan 8.250 nan 0.000 0.473 1197 G N 3.519 112.264 108.800 -0.092 0.000 2.813 1197 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.209 1197 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.209 1197 G C 0.080 174.955 174.900 -0.041 0.000 1.150 1197 G CA -0.175 44.894 45.100 -0.052 0.000 0.785 1197 G HN 0.596 nan 8.290 nan 0.000 0.535 1198 N N 0.247 118.917 118.700 -0.051 0.000 2.508 1198 N HA 0.443 5.183 4.740 -0.000 0.000 0.253 1198 N C -1.029 174.469 175.510 -0.018 0.000 1.145 1198 N CA 0.106 53.159 53.050 0.005 0.000 0.973 1198 N CB 1.770 40.326 38.487 0.115 0.000 1.305 1198 N HN 0.031 nan 8.380 nan 0.000 0.506 1199 V N 0.616 120.523 119.914 -0.012 0.000 3.177 1199 V HA 0.301 4.421 4.120 -0.000 0.000 0.287 1199 V C -0.450 175.640 176.094 -0.005 0.000 1.465 1199 V CA -0.556 61.736 62.300 -0.014 0.000 1.020 1199 V CB 2.270 34.071 31.823 -0.037 0.000 1.152 1199 V HN 0.437 nan 8.190 nan 0.000 0.448 1200 S N 2.653 118.352 115.700 -0.001 0.000 2.602 1200 S HA 0.214 4.684 4.470 -0.000 0.000 0.240 1200 S C -0.081 174.516 174.600 -0.004 0.000 0.992 1200 S CA 0.005 58.205 58.200 -0.000 0.000 0.971 1200 S CB 0.081 63.284 63.200 0.005 0.000 0.855 1200 S HN 0.749 nan 8.310 nan 0.000 0.481 1201 Q N 2.474 122.269 119.800 -0.008 0.000 2.357 1201 Q HA 0.370 4.710 4.340 -0.000 0.000 0.266 1201 Q C -2.219 173.774 176.000 -0.011 0.000 1.021 1201 Q CA -1.995 53.803 55.803 -0.008 0.000 0.784 1201 Q CB 1.525 30.258 28.738 -0.009 0.000 1.243 1201 Q HN -0.055 nan 8.270 nan 0.000 0.465 1202 P HA -0.096 nan 4.420 nan 0.000 0.223 1202 P C -0.090 177.203 177.300 -0.011 0.000 1.151 1202 P CA 0.779 63.873 63.100 -0.011 0.000 0.787 1202 P CB 0.523 32.217 31.700 -0.009 0.000 0.788 1203 D N 0.437 120.831 120.400 -0.010 0.000 2.178 1203 D HA -0.070 4.570 4.640 -0.000 0.000 0.202 1203 D C 2.058 178.352 176.300 -0.011 0.000 0.974 1203 D CA 1.243 55.238 54.000 -0.009 0.000 0.841 1203 D CB -0.498 40.297 40.800 -0.007 0.000 0.953 1203 D HN 0.113 nan 8.370 nan 0.000 0.478 1204 A N 0.225 123.036 122.820 -0.015 0.000 2.067 1204 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 1204 A C 2.281 179.851 177.584 -0.024 0.000 1.158 1204 A CA 0.679 52.704 52.037 -0.020 0.000 0.661 1204 A CB -0.393 18.591 19.000 -0.027 0.000 0.801 1204 A HN 0.208 nan 8.150 nan 0.000 0.452 1205 L N -1.482 119.728 121.223 -0.022 0.000 2.102 1205 L HA -0.055 4.285 4.340 -0.000 0.000 0.202 1205 L C 2.741 179.604 176.870 -0.012 0.000 1.076 1205 L CA 0.932 55.758 54.840 -0.022 0.000 0.761 1205 L CB -0.489 41.557 42.059 -0.022 0.000 0.921 1205 L HN 0.295 nan 8.230 nan 0.000 0.444 1206 R N 0.270 120.765 120.500 -0.009 0.000 2.120 1206 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 1206 R C 2.054 178.353 176.300 -0.001 0.000 1.123 1206 R CA 1.047 57.144 56.100 -0.004 0.000 0.975 1206 R CB -0.254 30.043 30.300 -0.004 0.000 0.866 1206 R HN 0.434 nan 8.270 nan 0.000 0.446 1207 E N 0.865 121.064 120.200 -0.002 0.000 2.110 1207 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 1207 E C 2.067 178.671 176.600 0.006 0.000 0.988 1207 E CA 1.146 57.548 56.400 0.002 0.000 0.804 1207 E CB 0.060 29.761 29.700 0.002 0.000 0.745 1207 E HN 0.444 nan 8.360 nan 0.000 0.458 1208 Q N 0.030 119.832 119.800 0.002 0.000 2.083 1208 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 1208 Q C 2.384 178.392 176.000 0.013 0.000 0.969 1208 Q CA 1.030 56.838 55.803 0.007 0.000 0.838 1208 Q CB 0.151 28.886 28.738 -0.005 0.000 0.900 1208 Q HN 0.151 nan 8.270 nan 0.000 0.436 1209 V N 1.067 120.986 119.914 0.009 0.000 2.343 1209 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 1209 V C 2.230 178.335 176.094 0.018 0.000 1.051 1209 V CA 1.807 64.117 62.300 0.016 0.000 1.036 1209 V CB -0.873 30.956 31.823 0.011 0.000 0.654 1209 V HN 0.361 nan 8.190 nan 0.000 0.451 1210 A N -0.166 122.661 122.820 0.012 0.000 2.067 1210 A HA 0.033 4.353 4.320 -0.000 0.000 0.219 1210 A C 2.318 179.908 177.584 0.010 0.000 1.158 1210 A CA 1.617 53.660 52.037 0.011 0.000 0.661 1210 A CB -0.495 18.509 19.000 0.007 0.000 0.801 1210 A HN 0.556 nan 8.150 nan 0.000 0.452 1211 A N -1.921 120.906 122.820 0.012 0.000 2.066 1211 A HA 0.381 4.701 4.320 -0.000 0.000 0.218 1211 A C 1.776 179.366 177.584 0.009 0.000 1.157 1211 A CA 1.721 53.763 52.037 0.009 0.000 0.670 1211 A CB -0.405 18.604 19.000 0.014 0.000 0.804 1211 A HN 1.593 nan 8.150 nan 0.000 0.453 1212 G N -1.871 106.941 108.800 0.020 0.000 2.613 1212 G HA2 0.050 4.010 3.960 -0.000 0.000 0.199 1212 G HA3 0.050 4.010 3.960 -0.000 0.000 0.199 1212 G C 0.302 175.233 174.900 0.051 0.000 0.991 1212 G CA 0.077 45.195 45.100 0.030 0.000 0.756 1212 G HN 1.387 nan 8.290 nan 0.000 0.515 1213 V N 0.876 120.820 119.914 0.049 0.000 2.811 1213 V HA 0.622 4.742 4.120 -0.000 0.000 0.302 1213 V C 1.618 177.757 176.094 0.075 0.000 1.063 1213 V CA 0.192 62.531 62.300 0.066 0.000 1.088 1213 V CB 1.142 32.998 31.823 0.055 0.000 0.982 1213 V HN 0.782 nan 8.190 nan 0.000 0.485 1214 I N 0.184 120.813 120.570 0.098 0.000 3.928 1214 I HA 0.776 4.946 4.170 -0.000 0.000 0.335 1214 I C 0.678 176.857 176.117 0.102 0.000 1.325 1214 I CA 0.295 61.657 61.300 0.103 0.000 1.107 1214 I CB -0.174 37.901 38.000 0.126 0.000 1.014 1214 I HN 0.897 nan 8.210 nan 0.000 0.400 1215 G N 0.848 109.701 108.800 0.088 0.000 2.523 1215 G HA2 0.635 4.595 3.960 -0.000 0.000 0.291 1215 G HA3 0.635 4.595 3.960 -0.000 0.000 0.291 1215 G C -1.619 173.305 174.900 0.041 0.000 1.450 1215 G CA -0.689 44.461 45.100 0.083 0.000 0.790 1215 G HN 0.075 nan 8.290 nan 0.000 0.496 1219 H N 5.804 124.976 119.070 0.170 0.000 2.637 1219 H HA 0.373 4.929 4.556 -0.000 0.000 0.363 1219 H C 0.505 175.868 175.328 0.057 0.000 1.131 1219 H CA -0.342 55.776 56.048 0.117 0.000 1.183 1219 H CB 2.327 32.203 29.762 0.190 0.000 1.637 1219 H HN 0.839 nan 8.280 nan 0.000 0.531 1220 E N 2.273 122.400 120.200 -0.122 0.000 2.204 1220 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 1220 E C 0.029 176.685 176.600 0.094 0.000 0.990 1220 E CA 1.472 57.877 56.400 0.009 0.000 0.821 1220 E CB 0.166 29.840 29.700 -0.043 0.000 0.750 1220 E HN 0.466 nan 8.360 nan 0.000 0.477 1221 D N 0.156 120.699 120.400 0.237 0.000 2.310 1221 D HA -0.108 4.532 4.640 -0.000 0.000 0.212 1221 D C 0.485 176.664 176.300 -0.202 0.000 0.965 1221 D CA 0.843 54.787 54.000 -0.094 0.000 0.879 1221 D CB -0.225 40.363 40.800 -0.354 0.000 0.921 1221 D HN 0.489 nan 8.370 nan 0.000 0.510 1222 W N 0.441 121.799 121.300 0.096 0.000 3.239 1222 W HA 0.397 5.057 4.660 0.000 0.000 0.348 1222 W C 0.639 177.183 176.519 0.041 0.000 1.183 1222 W CA -0.104 57.271 57.345 0.051 0.000 1.819 1222 W CB 0.734 30.221 29.460 0.045 0.000 1.091 1222 W HN -0.080 nan 8.180 nan 0.000 0.629 1223 G N 1.338 110.265 108.800 0.211 0.000 2.830 1223 G HA2 0.057 4.017 3.960 -0.000 0.000 0.298 1223 G HA3 0.057 4.017 3.960 -0.000 0.000 0.298 1223 G C -0.170 174.795 174.900 0.109 0.000 1.031 1223 G CA -0.585 44.590 45.100 0.126 0.000 1.179 1223 G HN 0.422 nan 8.290 nan 0.000 0.527 1224 A N 2.236 125.102 122.820 0.077 0.000 3.118 1224 A HA 0.662 4.982 4.320 -0.000 0.000 0.256 1224 A C 1.282 178.890 177.584 0.040 0.000 1.667 1224 A CA 0.891 52.964 52.037 0.059 0.000 1.338 1224 A CB -0.526 18.497 19.000 0.038 0.000 1.127 1224 A HN 2.029 nan 8.150 nan 0.000 0.634 1225 T N -2.513 112.067 114.554 0.043 0.000 2.918 1225 T HA 0.458 4.807 4.350 -0.000 0.000 0.283 1225 T C -1.877 172.841 174.700 0.031 0.000 1.001 1225 T CA -1.726 60.393 62.100 0.033 0.000 1.041 1225 T CB 1.155 70.039 68.868 0.028 0.000 1.028 1225 T HN 0.079 nan 8.240 nan 0.000 0.511 1226 P HA 0.003 nan 4.420 nan 0.000 0.218 1226 P C 1.586 178.894 177.300 0.014 0.000 1.149 1226 P CA 1.212 64.325 63.100 0.021 0.000 0.817 1226 P CB -0.262 31.448 31.700 0.016 0.000 0.785 1227 A N 0.018 122.845 122.820 0.013 0.000 1.898 1227 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 1227 A C 2.302 179.892 177.584 0.010 0.000 1.181 1227 A CA 2.017 54.059 52.037 0.009 0.000 0.620 1227 A CB -1.505 17.500 19.000 0.009 0.000 0.819 1227 A HN 0.198 nan 8.150 nan 0.000 0.442 1228 A N -0.226 122.604 122.820 0.016 0.000 1.897 1228 A HA -0.002 4.318 4.320 -0.000 0.000 0.215 1228 A C 2.105 179.695 177.584 0.010 0.000 1.181 1228 A CA 1.366 53.413 52.037 0.017 0.000 0.620 1228 A CB -0.564 18.457 19.000 0.034 0.000 0.821 1228 A HN 0.464 nan 8.150 nan 0.000 0.443 1229 I N -0.056 120.522 120.570 0.013 0.000 2.179 1229 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 1229 I C 2.306 178.419 176.117 -0.006 0.000 1.088 1229 I CA 1.989 63.291 61.300 0.003 0.000 1.357 1229 I CB -0.323 37.682 38.000 0.008 0.000 1.051 1229 I HN 0.457 nan 8.210 nan 0.000 0.409 1230 D N -0.069 120.329 120.400 -0.003 0.000 2.117 1230 D HA -0.239 4.401 4.640 -0.000 0.000 0.197 1230 D C 2.305 178.600 176.300 -0.009 0.000 0.987 1230 D CA 1.307 55.303 54.000 -0.007 0.000 0.829 1230 D CB -0.161 40.637 40.800 -0.004 0.000 0.961 1230 D HN 0.409 nan 8.370 nan 0.000 0.460 1231 C N -0.004 119.292 119.300 -0.007 0.000 2.432 1231 C HA 0.106 4.566 4.460 -0.000 0.000 0.277 1231 C C 2.900 177.882 174.990 -0.013 0.000 1.249 1231 C CA 1.448 60.461 59.018 -0.009 0.000 1.725 1231 C CB -1.491 26.245 27.740 -0.006 0.000 2.028 1231 C HN 0.447 nan 8.230 nan 0.000 0.477 1232 A N 0.099 122.910 122.820 -0.015 0.000 1.933 1232 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 1232 A C 2.148 179.718 177.584 -0.024 0.000 1.175 1232 A CA 1.719 53.743 52.037 -0.021 0.000 0.628 1232 A CB -0.647 18.339 19.000 -0.023 0.000 0.814 1232 A HN 0.680 nan 8.150 nan 0.000 0.444 1233 L N -0.956 120.252 121.223 -0.024 0.000 2.156 1233 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 1233 L C 2.654 179.510 176.870 -0.022 0.000 1.095 1233 L CA 1.454 56.277 54.840 -0.027 0.000 0.770 1233 L CB -0.605 41.437 42.059 -0.028 0.000 0.914 1233 L HN 0.312 nan 8.230 nan 0.000 0.439 1234 T N -0.689 113.854 114.554 -0.018 0.000 2.777 1234 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 1234 T C 2.009 176.700 174.700 -0.015 0.000 1.040 1234 T CA 1.163 63.254 62.100 -0.015 0.000 1.141 1234 T CB -0.076 68.785 68.868 -0.012 0.000 0.868 1234 T HN 0.047 nan 8.240 nan 0.000 0.444 1235 V N 1.717 121.622 119.914 -0.015 0.000 2.358 1235 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 1235 V C 2.876 178.961 176.094 -0.015 0.000 1.047 1235 V CA 1.646 63.938 62.300 -0.014 0.000 1.035 1235 V CB -1.167 30.648 31.823 -0.013 0.000 0.658 1235 V HN 0.511 nan 8.190 nan 0.000 0.452 1236 A N -0.169 122.640 122.820 -0.019 0.000 1.902 1236 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 1236 A C 2.006 179.576 177.584 -0.023 0.000 1.181 1236 A CA 2.031 54.055 52.037 -0.022 0.000 0.623 1236 A CB -0.607 18.374 19.000 -0.032 0.000 0.818 1236 A HN 0.521 nan 8.150 nan 0.000 0.443 1237 D N -0.391 119.995 120.400 -0.022 0.000 2.144 1237 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 1237 D C 1.933 178.223 176.300 -0.017 0.000 0.978 1237 D CA 1.280 55.267 54.000 -0.021 0.000 0.833 1237 D CB -0.290 40.498 40.800 -0.020 0.000 0.961 1237 D HN 0.649 nan 8.370 nan 0.000 0.470 1238 E N -0.426 119.765 120.200 -0.014 0.000 2.107 1238 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 1238 E C 1.631 178.225 176.600 -0.010 0.000 0.982 1238 E CA 0.661 57.054 56.400 -0.011 0.000 0.809 1238 E CB 0.066 29.761 29.700 -0.009 0.000 0.756 1238 E HN 0.312 nan 8.360 nan 0.000 0.459 1239 M N 0.162 119.757 119.600 -0.009 0.000 2.383 1239 M HA 0.109 4.589 4.480 -0.000 0.000 0.247 1239 M C -0.217 176.081 176.300 -0.004 0.000 1.117 1239 M CA -0.075 55.223 55.300 -0.004 0.000 0.995 1239 M CB 0.569 33.169 32.600 0.000 0.000 1.480 1239 M HN -0.192 nan 8.290 nan 0.000 0.485 1240 D N 2.925 123.319 120.400 -0.011 0.000 2.746 1240 D HA -0.143 4.497 4.640 -0.000 0.000 0.241 1240 D C -1.144 175.151 176.300 -0.008 0.000 1.140 1240 D CA 0.634 54.626 54.000 -0.014 0.000 0.707 1240 D CB -0.771 40.020 40.800 -0.015 0.000 1.034 1240 D HN 0.541 nan 8.370 nan 0.000 0.423 1241 I N -2.373 118.191 120.570 -0.011 0.000 3.042 1241 I HA 0.709 4.879 4.170 -0.000 0.000 0.310 1241 I C -0.113 175.988 176.117 -0.027 0.000 1.117 1241 I CA -1.169 60.130 61.300 -0.002 0.000 1.003 1241 I CB 1.595 39.605 38.000 0.016 0.000 1.228 1241 I HN -0.117 nan 8.210 nan 0.000 0.443 1242 Q N 1.667 121.449 119.800 -0.030 0.000 2.205 1242 Q HA 0.756 5.096 4.340 -0.000 0.000 0.249 1242 Q C -1.527 174.437 176.000 -0.061 0.000 0.948 1242 Q CA -0.647 55.098 55.803 -0.098 0.000 0.895 1242 Q CB 1.976 30.544 28.738 -0.283 0.000 1.249 1242 Q HN 0.653 nan 8.270 nan 0.000 0.458 1243 V N 2.161 122.018 119.914 -0.096 0.000 2.495 1243 V HA 0.858 4.978 4.120 -0.000 0.000 0.298 1243 V C -0.675 175.308 176.094 -0.185 0.000 1.031 1243 V CA -0.588 61.648 62.300 -0.107 0.000 0.871 1243 V CB 1.301 33.071 31.823 -0.088 0.000 0.988 1243 V HN 0.864 nan 8.190 nan 0.000 0.432 1244 A N 4.974 127.609 122.820 -0.309 0.000 2.337 1244 A HA 0.918 5.238 4.320 -0.000 0.000 0.329 1244 A C -1.215 176.029 177.584 -0.566 0.000 1.146 1244 A CA -0.533 51.079 52.037 -0.708 0.000 0.800 1244 A CB 1.397 19.591 19.000 -1.344 0.000 1.220 1244 A HN 0.800 nan 8.150 nan 0.000 0.472 1245 L N 1.781 122.681 121.223 -0.539 0.000 2.362 1245 L HA 0.581 4.921 4.340 -0.000 0.000 0.275 1245 L C -0.644 176.146 176.870 -0.134 0.000 0.998 1245 L CA -0.181 54.514 54.840 -0.241 0.000 0.820 1245 L CB 1.702 43.679 42.059 -0.135 0.000 1.270 1245 L HN 0.822 nan 8.230 nan 0.000 0.415 1246 H N 3.087 122.087 119.070 -0.117 0.000 2.762 1246 H HA 0.624 5.180 4.556 -0.000 0.000 0.310 1246 H C -0.518 174.750 175.328 -0.101 0.000 1.004 1246 H CA -0.331 55.705 56.048 -0.021 0.000 1.267 1246 H CB 1.049 30.744 29.762 -0.112 0.000 1.437 1246 H HN 0.811 nan 8.280 nan 0.000 0.498 1247 S N 2.710 118.462 115.700 0.085 0.000 2.655 1247 S HA 0.007 4.477 4.470 -0.000 0.000 0.265 1247 S C 0.349 174.880 174.600 -0.114 0.000 1.240 1247 S CA -0.932 57.260 58.200 -0.014 0.000 0.986 1247 S CB 1.117 64.316 63.200 -0.002 0.000 0.985 1247 S HN 0.763 nan 8.310 nan 0.000 0.562 1248 D N 0.621 120.813 120.400 -0.346 0.000 2.441 1248 D HA 0.168 4.808 4.640 -0.000 0.000 0.243 1248 D C 1.048 177.096 176.300 -0.420 0.000 1.257 1248 D CA 0.116 53.911 54.000 -0.341 0.000 1.027 1248 D CB -0.306 40.317 40.800 -0.294 0.000 1.084 1248 D HN 0.544 nan 8.370 nan 0.000 0.514 1249 T N 3.514 117.976 114.554 -0.153 0.000 2.699 1249 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 1249 T C 1.964 176.698 174.700 0.057 0.000 1.036 1249 T CA 0.807 62.886 62.100 -0.036 0.000 1.147 1249 T CB -0.050 68.866 68.868 0.080 0.000 0.862 1249 T HN 0.455 nan 8.240 nan 0.000 0.446 1250 L N 0.904 122.158 121.223 0.052 0.000 2.353 1250 L HA -0.060 4.280 4.340 -0.000 0.000 0.220 1250 L C 0.773 177.674 176.870 0.051 0.000 1.133 1250 L CA 0.465 55.333 54.840 0.047 0.000 0.798 1250 L CB -0.786 41.258 42.059 -0.025 0.000 0.922 1250 L HN 0.348 nan 8.230 nan 0.000 0.445 1251 N N 0.037 118.773 118.700 0.060 0.000 2.714 1251 N HA -0.271 4.469 4.740 -0.000 0.000 0.250 1251 N C 1.131 176.590 175.510 -0.085 0.000 1.117 1251 N CA 1.302 54.399 53.050 0.078 0.000 0.719 1251 N CB -1.055 37.544 38.487 0.187 0.000 1.081 1251 N HN 0.584 nan 8.380 nan 0.000 0.557 1252 E N 0.618 120.785 120.200 -0.054 0.000 2.051 1252 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 1252 E C 1.509 178.061 176.600 -0.081 0.000 0.991 1252 E CA 1.827 58.187 56.400 -0.067 0.000 0.799 1252 E CB 0.078 29.749 29.700 -0.047 0.000 0.748 1252 E HN 0.530 nan 8.360 nan 0.000 0.449 1253 S N -1.194 114.474 115.700 -0.054 0.000 2.535 1253 S HA 0.389 4.859 4.470 -0.000 0.000 0.214 1253 S C 0.507 175.067 174.600 -0.066 0.000 0.980 1253 S CA 0.060 58.233 58.200 -0.044 0.000 0.907 1253 S CB 1.211 64.408 63.200 -0.004 0.000 0.790 1253 S HN 0.428 nan 8.310 nan 0.000 0.510 1254 G N -0.145 108.586 108.800 -0.116 0.000 2.337 1254 G HA2 0.396 4.356 3.960 -0.000 0.000 0.298 1254 G HA3 0.396 4.356 3.960 -0.000 0.000 0.298 1254 G C -1.244 173.558 174.900 -0.164 0.000 1.335 1254 G CA -1.116 43.877 45.100 -0.179 0.000 0.875 1254 G HN 0.170 nan 8.290 nan 0.000 0.579 1255 F N -1.092 118.839 119.950 -0.033 0.000 2.452 1255 F HA 0.540 5.066 4.527 -0.000 0.000 0.353 1255 F C 1.818 177.184 175.800 -0.722 0.000 1.089 1255 F CA -0.178 57.701 58.000 -0.201 0.000 1.080 1255 F CB 1.524 40.464 39.000 -0.100 0.000 1.399 1255 F HN 0.331 nan 8.300 nan 0.000 0.492 1256 V N 1.522 121.030 119.914 -0.676 0.000 2.324 1256 V HA -0.265 3.855 4.120 -0.000 0.000 0.250 1256 V C 2.238 178.163 176.094 -0.282 0.000 1.060 1256 V CA 2.570 64.457 62.300 -0.688 0.000 1.042 1256 V CB -0.557 31.122 31.823 -0.241 0.000 0.650 1256 V HN 0.835 nan 8.190 nan 0.000 0.450 1257 E N -1.030 119.097 120.200 -0.121 0.000 2.268 1257 E HA -0.237 4.112 4.350 -0.000 0.000 0.195 1257 E C 1.614 178.187 176.600 -0.045 0.000 0.995 1257 E CA 1.588 57.955 56.400 -0.055 0.000 0.836 1257 E CB -0.616 29.083 29.700 -0.001 0.000 0.763 1257 E HN 0.689 nan 8.360 nan 0.000 0.491 1258 D N 0.948 121.324 120.400 -0.041 0.000 2.149 1258 D HA -0.059 4.581 4.640 -0.000 0.000 0.201 1258 D C 1.634 177.924 176.300 -0.016 0.000 0.972 1258 D CA 1.420 55.409 54.000 -0.018 0.000 0.835 1258 D CB -0.027 40.769 40.800 -0.006 0.000 0.966 1258 D HN 0.195 nan 8.370 nan 0.000 0.476 1259 T N 1.398 115.937 114.554 -0.024 0.000 2.821 1259 T HA -0.028 4.322 4.350 -0.000 0.000 0.267 1259 T C 2.247 176.930 174.700 -0.028 0.000 1.046 1259 T CA 0.368 62.491 62.100 0.038 0.000 1.139 1259 T CB -0.095 68.877 68.868 0.173 0.000 0.871 1259 T HN 0.076 nan 8.240 nan 0.000 0.454 1260 L N 0.632 121.804 121.223 -0.084 0.000 2.083 1260 L HA -0.067 4.272 4.340 -0.000 0.000 0.209 1260 L C 2.918 179.732 176.870 -0.093 0.000 1.083 1260 L CA 1.087 55.842 54.840 -0.142 0.000 0.752 1260 L CB -0.515 41.402 42.059 -0.236 0.000 0.899 1260 L HN 0.235 nan 8.230 nan 0.000 0.433 1261 A N -0.125 122.663 122.820 -0.053 0.000 1.898 1261 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 1261 A C 2.536 180.108 177.584 -0.021 0.000 1.181 1261 A CA 1.502 53.523 52.037 -0.027 0.000 0.620 1261 A CB -0.705 18.288 19.000 -0.011 0.000 0.819 1261 A HN 0.380 nan 8.150 nan 0.000 0.442 1262 A N 0.023 122.834 122.820 -0.015 0.000 1.940 1262 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 1262 A C 2.082 179.656 177.584 -0.017 0.000 1.176 1262 A CA 1.644 53.675 52.037 -0.009 0.000 0.631 1262 A CB -0.665 18.336 19.000 0.003 0.000 0.814 1262 A HN 0.516 nan 8.150 nan 0.000 0.446 1263 I N -0.587 119.965 120.570 -0.029 0.000 2.286 1263 I HA -0.110 4.060 4.170 -0.000 0.000 0.248 1263 I C 1.745 177.842 176.117 -0.032 0.000 1.115 1263 I CA 0.982 62.260 61.300 -0.037 0.000 1.392 1263 I CB -0.593 37.372 38.000 -0.059 0.000 1.065 1263 I HN 0.492 nan 8.210 nan 0.000 0.418 1264 G N 0.986 109.767 108.800 -0.031 0.000 2.366 1264 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.299 1264 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.299 1264 G C 0.978 175.870 174.900 -0.014 0.000 1.020 1264 G CA 0.410 45.499 45.100 -0.019 0.000 1.026 1264 G HN 0.952 nan 8.290 nan 0.000 0.512 1265 G N -1.643 107.148 108.800 -0.015 0.000 2.189 1265 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.267 1265 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.267 1265 G C 0.601 175.493 174.900 -0.013 0.000 0.975 1265 G CA 1.139 46.238 45.100 -0.002 0.000 0.644 1265 G HN 1.031 nan 8.290 nan 0.000 0.537 1266 R N 0.474 120.960 120.500 -0.023 0.000 2.531 1266 R HA 0.493 4.833 4.340 -0.000 0.000 0.273 1266 R C 0.468 176.746 176.300 -0.037 0.000 1.070 1266 R CA -0.016 56.067 56.100 -0.028 0.000 1.112 1266 R CB 0.445 30.727 30.300 -0.029 0.000 1.049 1266 R HN 0.148 nan 8.270 nan 0.000 0.508 1267 T N 2.780 117.309 114.554 -0.042 0.000 2.902 1267 T HA 0.193 4.543 4.350 -0.000 0.000 0.301 1267 T C 0.123 174.783 174.700 -0.066 0.000 1.012 1267 T CA 0.444 62.511 62.100 -0.055 0.000 1.151 1267 T CB 0.011 68.840 68.868 -0.065 0.000 0.946 1267 T HN 0.370 nan 8.240 nan 0.000 0.542 1268 I N 1.627 122.157 120.570 -0.067 0.000 2.841 1268 I HA 0.289 4.459 4.170 -0.000 0.000 0.298 1268 I C -0.845 175.248 176.117 -0.042 0.000 1.304 1268 I CA -0.944 60.314 61.300 -0.070 0.000 1.019 1268 I CB 2.296 40.253 38.000 -0.071 0.000 1.282 1268 I HN 0.740 nan 8.210 nan 0.000 0.432 1269 H N 4.924 123.881 119.070 -0.189 0.000 2.556 1269 H HA 0.440 4.996 4.556 -0.000 0.000 0.310 1269 H C -0.917 174.291 175.328 -0.199 0.000 1.057 1269 H CA -0.601 55.343 56.048 -0.173 0.000 1.264 1269 H CB 1.028 30.682 29.762 -0.180 0.000 1.404 1269 H HN 0.602 nan 8.280 nan 0.000 0.462 1270 T N 3.453 118.061 114.554 0.090 0.000 2.744 1270 T HA 0.217 4.567 4.350 -0.000 0.000 0.291 1270 T C -0.112 174.588 174.700 0.000 0.000 0.957 1270 T CA -0.787 61.280 62.100 -0.055 0.000 1.002 1270 T CB 0.327 69.164 68.868 -0.052 0.000 0.919 1270 T HN 0.196 nan 8.240 nan 0.000 0.468 1271 F N 3.688 123.409 119.950 -0.381 0.000 2.410 1271 F HA 0.256 4.783 4.527 -0.000 0.000 0.334 1271 F C 1.521 176.967 175.800 -0.590 0.000 1.134 1271 F CA -0.844 56.839 58.000 -0.528 0.000 1.227 1271 F CB -0.126 38.446 39.000 -0.714 0.000 1.194 1271 F HN 0.985 nan 8.300 nan 0.000 0.571 1272 H N -1.045 118.162 119.070 0.229 0.000 2.315 1272 H HA -0.203 4.353 4.556 -0.000 0.000 0.324 1272 H C 0.713 176.094 175.328 0.089 0.000 0.996 1272 H CA 0.468 56.594 56.048 0.130 0.000 1.090 1272 H CB -2.466 27.340 29.762 0.073 0.000 1.580 1272 H HN 0.509 nan 8.280 nan 0.000 0.374 1273 T N -0.936 113.700 114.554 0.136 0.000 2.849 1273 T HA -0.230 4.120 4.350 -0.000 0.000 0.270 1273 T C 1.806 176.650 174.700 0.240 0.000 1.066 1273 T CA 1.295 63.416 62.100 0.035 0.000 1.130 1273 T CB 0.015 68.643 68.868 -0.399 0.000 0.864 1273 T HN 0.675 nan 8.240 nan 0.000 0.481 1274 E N 0.916 121.352 120.200 0.393 0.000 2.153 1274 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 1274 E C 1.909 178.572 176.600 0.106 0.000 0.988 1274 E CA 1.232 57.791 56.400 0.265 0.000 0.811 1274 E CB -0.381 29.429 29.700 0.184 0.000 0.746 1274 E HN 0.606 nan 8.360 nan 0.000 0.466 1275 G N -0.279 108.574 108.800 0.088 0.000 2.259 1275 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.217 1275 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.217 1275 G C 1.350 176.176 174.900 -0.124 0.000 1.001 1275 G CA 0.695 45.782 45.100 -0.022 0.000 0.627 1275 G HN 0.584 nan 8.290 nan 0.000 0.501 1276 A N 0.741 123.503 122.820 -0.098 0.000 1.940 1276 A HA 0.318 4.638 4.320 -0.000 0.000 0.219 1276 A C 2.662 180.154 177.584 -0.154 0.000 1.176 1276 A CA 2.427 54.397 52.037 -0.113 0.000 0.631 1276 A CB -0.920 18.036 19.000 -0.074 0.000 0.814 1276 A HN 1.648 nan 8.150 nan 0.000 0.446 1277 G N -1.544 107.113 108.800 -0.238 0.000 2.744 1277 G HA2 0.420 4.380 3.960 -0.000 0.000 0.211 1277 G HA3 0.420 4.380 3.960 -0.000 0.000 0.211 1277 G C 0.685 175.029 174.900 -0.926 0.000 1.143 1277 G CA 0.832 45.658 45.100 -0.457 0.000 0.788 1277 G HN 1.628 nan 8.290 nan 0.000 0.534 1278 G N -2.346 105.948 108.800 -0.844 0.000 2.307 1278 G HA2 0.580 4.540 3.960 -0.000 0.000 0.348 1278 G HA3 0.580 4.540 3.960 -0.000 0.000 0.348 1278 G C -0.332 174.225 174.900 -0.572 0.000 1.603 1278 G CA -0.015 44.543 45.100 -0.903 0.000 0.961 1278 G HN 1.785 nan 8.290 nan 0.000 0.686 1279 G N 0.357 108.963 108.800 -0.323 0.000 2.335 1279 G HA2 0.465 4.425 3.960 -0.000 0.000 0.592 1279 G HA3 0.465 4.425 3.960 -0.000 0.000 0.592 1279 G C -0.447 174.419 174.900 -0.057 0.000 1.442 1279 G CA -0.389 44.626 45.100 -0.142 0.000 0.976 1279 G HN 1.467 nan 8.290 nan 0.000 0.652 1280 H N 0.005 119.090 119.070 0.023 0.000 3.221 1280 H HA 0.198 4.754 4.556 -0.000 0.000 0.272 1280 H C 1.111 176.456 175.328 0.029 0.000 0.865 1280 H CA 1.578 57.661 56.048 0.058 0.000 1.419 1280 H CB 0.307 30.118 29.762 0.082 0.000 1.377 1280 H HN 1.015 nan 8.280 nan 0.000 0.535 1281 A N 7.030 129.933 122.820 0.138 0.000 2.301 1281 A HA 0.305 4.625 4.320 -0.000 0.000 0.298 1281 A C -1.560 176.066 177.584 0.070 0.000 1.185 1281 A CA -1.261 50.796 52.037 0.033 0.000 0.830 1281 A CB 0.740 19.750 19.000 0.017 0.000 1.112 1281 A HN 0.520 nan 8.150 nan 0.000 0.508 1282 P HA 0.172 nan 4.420 nan 0.000 0.290 1282 P C -0.648 176.610 177.300 -0.071 0.000 1.519 1282 P CA 0.148 63.143 63.100 -0.174 0.000 1.189 1282 P CB 0.517 31.937 31.700 -0.467 0.000 1.569 1283 D N -0.931 119.481 120.400 0.020 0.000 2.593 1283 D HA 0.035 4.675 4.640 -0.000 0.000 0.241 1283 D C 1.249 177.589 176.300 0.066 0.000 1.257 1283 D CA -0.655 53.367 54.000 0.038 0.000 0.828 1283 D CB -0.506 40.312 40.800 0.029 0.000 1.049 1283 D HN -0.053 nan 8.370 nan 0.000 0.490 1284 I N 0.743 121.367 120.570 0.089 0.000 2.454 1284 I HA -0.102 4.068 4.170 -0.000 0.000 0.254 1284 I C 1.743 177.917 176.117 0.094 0.000 1.156 1284 I CA 0.772 62.136 61.300 0.107 0.000 1.433 1284 I CB -0.193 37.873 38.000 0.111 0.000 1.082 1284 I HN 0.194 nan 8.210 nan 0.000 0.432 1285 I N 0.426 121.061 120.570 0.107 0.000 2.502 1285 I HA -0.345 3.825 4.170 -0.000 0.000 0.258 1285 I C 2.044 178.253 176.117 0.153 0.000 1.172 1285 I CA 1.872 63.273 61.300 0.168 0.000 1.430 1285 I CB -0.319 37.776 38.000 0.158 0.000 1.086 1285 I HN 0.492 nan 8.210 nan 0.000 0.440 1286 T N -1.576 113.044 114.554 0.110 0.000 3.098 1286 T HA 0.051 4.401 4.350 -0.000 0.000 0.266 1286 T C 1.791 176.587 174.700 0.161 0.000 1.145 1286 T CA 0.667 62.837 62.100 0.117 0.000 1.092 1286 T CB -0.367 68.559 68.868 0.097 0.000 0.908 1286 T HN 0.393 nan 8.240 nan 0.000 0.526 1287 A N 1.293 124.185 122.820 0.121 0.000 2.070 1287 A HA -0.034 4.286 4.320 -0.000 0.000 0.220 1287 A C 2.584 180.259 177.584 0.151 0.000 1.159 1287 A CA 1.221 53.327 52.037 0.115 0.000 0.656 1287 A CB -1.488 17.519 19.000 0.011 0.000 0.800 1287 A HN 0.978 nan 8.150 nan 0.000 0.453 1288 C N -1.947 117.413 119.300 0.100 0.000 2.485 1288 C HA 0.455 4.915 4.460 -0.000 0.000 0.283 1288 C C 2.339 177.373 174.990 0.072 0.000 1.478 1288 C CA -0.024 59.031 59.018 0.063 0.000 1.741 1288 C CB -1.723 26.083 27.740 0.111 0.000 1.675 1288 C HN 0.633 nan 8.230 nan 0.000 0.573 1289 A N -0.524 122.343 122.820 0.079 0.000 2.123 1289 A HA 0.134 4.454 4.320 -0.000 0.000 0.214 1289 A C 0.972 178.455 177.584 -0.169 0.000 1.152 1289 A CA 0.294 52.293 52.037 -0.063 0.000 0.728 1289 A CB -0.587 18.313 19.000 -0.166 0.000 0.814 1289 A HN 0.850 nan 8.150 nan 0.000 0.464 1290 H N -0.209 118.855 119.070 -0.010 0.000 2.487 1290 H HA 0.178 4.734 4.556 -0.000 0.000 0.333 1290 H C -1.671 173.644 175.328 -0.021 0.000 1.114 1290 H CA -1.503 54.536 56.048 -0.015 0.000 1.310 1290 H CB 1.193 30.945 29.762 -0.017 0.000 1.462 1290 H HN 0.153 nan 8.280 nan 0.000 0.516 1291 P HA -0.100 nan 4.420 nan 0.000 0.229 1291 P C 0.700 178.013 177.300 0.022 0.000 1.160 1291 P CA 0.869 63.984 63.100 0.026 0.000 0.777 1291 P CB 0.379 32.086 31.700 0.011 0.000 0.814 1292 N N -0.419 118.304 118.700 0.038 0.000 2.280 1292 N HA 0.036 4.776 4.740 -0.000 0.000 0.192 1292 N C 0.191 175.692 175.510 -0.014 0.000 1.109 1292 N CA -0.008 53.044 53.050 0.002 0.000 0.855 1292 N CB 0.146 38.633 38.487 0.000 0.000 0.974 1292 N HN 0.087 nan 8.380 nan 0.000 0.482 1293 I N 2.098 122.669 120.570 0.002 0.000 2.331 1293 I HA 0.258 4.428 4.170 -0.000 0.000 0.292 1293 I C -0.374 175.713 176.117 -0.049 0.000 0.998 1293 I CA -0.711 60.575 61.300 -0.022 0.000 1.267 1293 I CB 1.544 39.543 38.000 -0.002 0.000 1.386 1293 I HN -0.080 nan 8.210 nan 0.000 0.476 1294 L N 8.993 130.173 121.223 -0.072 0.000 2.264 1294 L HA 0.440 4.780 4.340 -0.000 0.000 0.287 1294 L C -2.310 174.499 176.870 -0.101 0.000 1.039 1294 L CA -1.909 52.858 54.840 -0.122 0.000 0.829 1294 L CB 0.706 42.641 42.059 -0.205 0.000 1.211 1294 L HN 0.262 nan 8.230 nan 0.000 0.427 1295 P HA 0.371 nan 4.420 nan 0.000 0.300 1295 P C -0.668 176.500 177.300 -0.220 0.000 1.326 1295 P CA -0.440 62.518 63.100 -0.236 0.000 0.844 1295 P CB 1.794 33.175 31.700 -0.533 0.000 0.992 1296 S N 1.581 117.279 115.700 -0.004 0.000 2.621 1296 S HA 0.727 5.197 4.470 -0.000 0.000 0.302 1296 S C -0.124 174.566 174.600 0.150 0.000 1.093 1296 S CA -0.650 57.643 58.200 0.155 0.000 1.017 1296 S CB 1.064 64.534 63.200 0.449 0.000 1.077 1296 S HN 0.270 nan 8.310 nan 0.000 0.517 1297 S N 1.063 116.969 115.700 0.344 0.000 2.593 1297 S HA 0.777 5.247 4.470 -0.000 0.000 0.297 1297 S C 0.070 174.799 174.600 0.214 0.000 1.112 1297 S CA -0.741 57.691 58.200 0.387 0.000 1.043 1297 S CB 1.498 65.012 63.200 0.524 0.000 1.054 1297 S HN 0.985 nan 8.310 nan 0.000 0.516 1298 T N -0.018 114.631 114.554 0.158 0.000 2.927 1298 T HA 0.340 4.690 4.350 -0.000 0.000 0.281 1298 T C 0.801 175.521 174.700 0.034 0.000 0.998 1298 T CA -0.824 61.289 62.100 0.023 0.000 1.019 1298 T CB 0.632 69.466 68.868 -0.055 0.000 1.061 1298 T HN 0.571 nan 8.240 nan 0.000 0.518 1299 N N -0.435 118.251 118.700 -0.023 0.000 2.412 1299 N HA 0.123 4.863 4.740 -0.000 0.000 0.184 1299 N C -1.668 173.850 175.510 0.013 0.000 1.101 1299 N CA -0.677 52.364 53.050 -0.014 0.000 0.881 1299 N CB -1.142 37.314 38.487 -0.053 0.000 0.969 1299 N HN 0.387 nan 8.380 nan 0.000 0.459 1300 P HA -0.003 nan 4.420 nan 0.000 0.223 1300 P C 0.771 178.181 177.300 0.183 0.000 1.151 1300 P CA 1.364 64.526 63.100 0.103 0.000 0.787 1300 P CB -0.122 31.631 31.700 0.089 0.000 0.788 1301 T N -4.094 110.533 114.554 0.121 0.000 3.107 1301 T HA 0.206 4.556 4.350 -0.000 0.000 0.249 1301 T C 0.436 175.170 174.700 0.057 0.000 1.096 1301 T CA 0.008 62.133 62.100 0.041 0.000 1.012 1301 T CB -0.615 68.240 68.868 -0.021 0.000 0.977 1301 T HN -0.053 nan 8.240 nan 0.000 0.527 1302 L N 2.948 124.205 121.223 0.056 0.000 2.287 1302 L HA 0.522 4.862 4.340 -0.000 0.000 0.287 1302 L C -2.349 174.545 176.870 0.040 0.000 1.022 1302 L CA -2.553 52.311 54.840 0.040 0.000 0.814 1302 L CB 1.511 43.565 42.059 -0.009 0.000 1.217 1302 L HN -0.039 nan 8.230 nan 0.000 0.420 1303 P HA 0.043 nan 4.420 nan 0.000 0.282 1303 P C -1.136 176.253 177.300 0.147 0.000 1.287 1303 P CA -0.546 62.611 63.100 0.096 0.000 0.792 1303 P CB 0.605 32.363 31.700 0.096 0.000 1.163 1304 Y N 1.271 121.574 120.300 0.005 0.000 2.496 1304 Y HA 0.318 4.868 4.550 -0.000 0.000 0.334 1304 Y C 0.343 176.246 175.900 0.005 0.000 1.080 1304 Y CA 0.104 58.199 58.100 -0.008 0.000 1.355 1304 Y CB -0.601 37.852 38.460 -0.012 0.000 1.193 1304 Y HN 0.437 nan 8.280 nan 0.000 0.523 1305 T N 2.676 117.197 114.554 -0.055 0.000 2.831 1305 T HA 0.376 4.726 4.350 -0.000 0.000 0.287 1305 T C 1.022 175.578 174.700 -0.239 0.000 1.070 1305 T CA -0.847 61.143 62.100 -0.183 0.000 1.010 1305 T CB 0.769 69.610 68.868 -0.044 0.000 1.264 1305 T HN 0.593 nan 8.240 nan 0.000 0.532 1306 L N 0.473 121.593 121.223 -0.172 0.000 2.079 1306 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 1306 L C 2.057 178.903 176.870 -0.040 0.000 1.081 1306 L CA 1.341 56.111 54.840 -0.117 0.000 0.752 1306 L CB -0.475 41.542 42.059 -0.071 0.000 0.896 1306 L HN 0.663 nan 8.230 nan 0.000 0.433 1307 N N -1.447 117.248 118.700 -0.009 0.000 2.236 1307 N HA -0.005 4.735 4.740 -0.000 0.000 0.196 1307 N C 1.538 177.086 175.510 0.064 0.000 1.114 1307 N CA 0.402 53.466 53.050 0.024 0.000 0.859 1307 N CB 0.373 38.872 38.487 0.019 0.000 0.982 1307 N HN 0.219 nan 8.380 nan 0.000 0.493 1308 T N 2.401 117.003 114.554 0.079 0.000 2.570 1308 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 1308 T C 1.995 176.777 174.700 0.136 0.000 1.071 1308 T CA 0.987 63.165 62.100 0.130 0.000 1.172 1308 T CB -0.069 68.888 68.868 0.147 0.000 0.864 1308 T HN 0.131 nan 8.240 nan 0.000 0.421 1309 I N 1.753 122.381 120.570 0.097 0.000 2.163 1309 I HA -0.162 4.008 4.170 -0.000 0.000 0.243 1309 I C 2.267 178.440 176.117 0.092 0.000 1.085 1309 I CA 1.541 62.881 61.300 0.066 0.000 1.347 1309 I CB -1.245 36.795 38.000 0.065 0.000 1.044 1309 I HN 0.224 nan 8.210 nan 0.000 0.408 1310 D N 0.964 121.411 120.400 0.078 0.000 2.104 1310 D HA -0.235 4.405 4.640 -0.000 0.000 0.194 1310 D C 2.085 178.423 176.300 0.063 0.000 0.994 1310 D CA 1.712 55.747 54.000 0.058 0.000 0.830 1310 D CB -0.231 40.593 40.800 0.040 0.000 0.959 1310 D HN 0.621 nan 8.370 nan 0.000 0.452 1311 E N -0.075 120.178 120.200 0.088 0.000 2.150 1311 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 1311 E C 1.736 178.353 176.600 0.028 0.000 0.985 1311 E CA 1.025 57.451 56.400 0.043 0.000 0.814 1311 E CB -0.308 29.407 29.700 0.025 0.000 0.752 1311 E HN 0.318 nan 8.360 nan 0.000 0.466 1312 H N 1.102 120.156 119.070 -0.027 0.000 2.353 1312 H HA -0.046 4.510 4.556 -0.000 0.000 0.300 1312 H C 2.139 177.434 175.328 -0.055 0.000 1.090 1312 H CA 1.885 57.906 56.048 -0.044 0.000 1.327 1312 H CB -0.271 29.464 29.762 -0.045 0.000 1.383 1312 H HN 0.164 nan 8.280 nan 0.000 0.508 1313 L N -0.083 121.187 121.223 0.079 0.000 2.051 1313 L HA -0.242 4.098 4.340 -0.000 0.000 0.214 1313 L C 1.908 178.765 176.870 -0.021 0.000 1.076 1313 L CA 1.711 56.561 54.840 0.016 0.000 0.758 1313 L CB -0.459 41.612 42.059 0.019 0.000 0.890 1313 L HN 0.299 nan 8.230 nan 0.000 0.433 1314 D N -0.287 120.094 120.400 -0.032 0.000 2.183 1314 D HA -0.151 4.489 4.640 -0.000 0.000 0.203 1314 D C 2.209 178.454 176.300 -0.092 0.000 0.969 1314 D CA 1.215 55.183 54.000 -0.054 0.000 0.842 1314 D CB 0.099 40.870 40.800 -0.048 0.000 0.957 1314 D HN 0.387 nan 8.370 nan 0.000 0.484 1315 M N 0.551 120.071 119.600 -0.134 0.000 2.447 1315 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 1315 M C 1.769 177.966 176.300 -0.171 0.000 1.095 1315 M CA 0.301 55.490 55.300 -0.184 0.000 1.125 1315 M CB 0.161 32.598 32.600 -0.272 0.000 1.389 1315 M HN -0.063 nan 8.290 nan 0.000 0.459 1316 L N 1.946 123.097 121.223 -0.121 0.000 1.944 1316 L HA -0.260 4.080 4.340 -0.000 0.000 0.218 1316 L C 2.264 179.099 176.870 -0.058 0.000 1.075 1316 L CA 2.092 56.889 54.840 -0.072 0.000 0.767 1316 L CB -1.234 40.771 42.059 -0.091 0.000 0.890 1316 L HN 0.372 nan 8.230 nan 0.000 0.434 1317 M N -0.858 118.711 119.600 -0.051 0.000 3.092 1317 M HA -0.325 4.155 4.480 -0.000 0.000 0.270 1317 M C 2.116 178.362 176.300 -0.089 0.000 1.042 1317 M CA 2.562 57.842 55.300 -0.034 0.000 1.052 1317 M CB -1.809 30.777 32.600 -0.023 0.000 1.250 1317 M HN 0.214 nan 8.290 nan 0.000 0.529 1318 V N 0.044 119.878 119.914 -0.132 0.000 2.380 1318 V HA -0.321 3.799 4.120 -0.000 0.000 0.251 1318 V C 2.727 178.622 176.094 -0.332 0.000 1.063 1318 V CA 2.062 64.248 62.300 -0.191 0.000 1.055 1318 V CB -1.291 30.427 31.823 -0.175 0.000 0.657 1318 V HN 0.749 nan 8.190 nan 0.000 0.455 1319 C N 0.306 119.381 119.300 -0.376 0.000 2.491 1319 C HA -0.196 4.264 4.460 -0.000 0.000 0.283 1319 C C 2.793 177.305 174.990 -0.795 0.000 1.238 1319 C CA 1.432 60.099 59.018 -0.584 0.000 1.735 1319 C CB -1.266 26.065 27.740 -0.680 0.000 2.080 1319 C HN 0.676 nan 8.230 nan 0.000 0.463 1320 H N -0.081 118.786 119.070 -0.338 0.000 2.524 1320 H HA 0.029 4.585 4.556 -0.000 0.000 0.282 1320 H C 0.358 175.547 175.328 -0.232 0.000 1.016 1320 H CA 1.621 57.518 56.048 -0.253 0.000 1.270 1320 H CB -0.460 29.287 29.762 -0.025 0.000 1.394 1320 H HN 0.730 nan 8.280 nan 0.000 0.568 1321 H N -2.107 116.999 119.070 0.059 0.000 3.075 1321 H HA -0.104 4.452 4.556 -0.000 0.000 0.287 1321 H C -0.449 174.905 175.328 0.043 0.000 1.310 1321 H CA 0.235 56.297 56.048 0.024 0.000 1.167 1321 H CB -2.336 27.423 29.762 -0.005 0.000 1.319 1321 H HN 0.202 nan 8.280 nan 0.000 0.408 1322 L N 1.013 122.296 121.223 0.100 0.000 2.289 1322 L HA 0.357 4.697 4.340 -0.000 0.000 0.285 1322 L C 0.881 177.799 176.870 0.079 0.000 1.049 1322 L CA -0.271 54.637 54.840 0.114 0.000 0.804 1322 L CB 1.425 43.605 42.059 0.202 0.000 1.195 1322 L HN 0.039 nan 8.230 nan 0.000 0.428 1323 D N 5.345 125.786 120.400 0.069 0.000 2.339 1323 D HA 0.149 4.789 4.640 -0.000 0.000 0.241 1323 D C -1.513 174.820 176.300 0.055 0.000 1.183 1323 D CA -1.452 52.577 54.000 0.048 0.000 0.859 1323 D CB 1.953 42.772 40.800 0.031 0.000 1.067 1323 D HN 0.321 nan 8.370 nan 0.000 0.484 1324 P HA -0.071 nan 4.420 nan 0.000 0.226 1324 P C 0.444 177.766 177.300 0.036 0.000 1.153 1324 P CA 0.649 63.776 63.100 0.044 0.000 0.777 1324 P CB 0.862 32.579 31.700 0.028 0.000 0.794 1325 D N 0.103 120.521 120.400 0.029 0.000 2.259 1325 D HA 0.080 4.720 4.640 -0.000 0.000 0.216 1325 D C 1.086 177.399 176.300 0.021 0.000 0.961 1325 D CA 0.291 54.304 54.000 0.022 0.000 0.878 1325 D CB -0.213 40.597 40.800 0.016 0.000 1.009 1325 D HN 0.210 nan 8.370 nan 0.000 0.490 1326 I N 2.242 122.824 120.570 0.021 0.000 2.573 1326 I HA -0.018 4.152 4.170 -0.000 0.000 0.295 1326 I C 1.540 177.669 176.117 0.019 0.000 1.141 1326 I CA -0.314 60.992 61.300 0.011 0.000 1.364 1326 I CB 0.965 38.965 38.000 -0.000 0.000 1.447 1326 I HN -0.102 nan 8.210 nan 0.000 0.571 1327 A N 4.762 127.592 122.820 0.017 0.000 2.139 1327 A HA -0.191 4.129 4.320 -0.000 0.000 0.221 1327 A C 2.040 179.636 177.584 0.021 0.000 1.159 1327 A CA 1.485 53.539 52.037 0.027 0.000 0.662 1327 A CB -0.316 18.701 19.000 0.029 0.000 0.796 1327 A HN 0.721 nan 8.150 nan 0.000 0.463 1328 E N -0.106 120.080 120.200 -0.022 0.000 2.230 1328 E HA -0.034 4.316 4.350 -0.000 0.000 0.192 1328 E C 0.657 177.157 176.600 -0.166 0.000 0.987 1328 E CA 0.843 57.191 56.400 -0.087 0.000 0.841 1328 E CB -0.023 29.603 29.700 -0.123 0.000 0.783 1328 E HN 0.503 nan 8.360 nan 0.000 0.481 1329 D N -0.772 119.584 120.400 -0.073 0.000 2.336 1329 D HA -0.042 4.598 4.640 -0.000 0.000 0.229 1329 D C 0.967 177.429 176.300 0.270 0.000 1.061 1329 D CA 0.380 54.394 54.000 0.022 0.000 0.875 1329 D CB 0.730 41.552 40.800 0.036 0.000 0.904 1329 D HN 0.194 nan 8.370 nan 0.000 0.525 1330 V N -4.600 115.453 119.914 0.231 0.000 3.432 1330 V HA 0.513 4.633 4.120 -0.000 0.000 0.290 1330 V C 1.363 177.576 176.094 0.198 0.000 1.591 1330 V CA 0.314 62.740 62.300 0.211 0.000 1.069 1330 V CB 0.338 32.228 31.823 0.111 0.000 0.892 1330 V HN -0.025 nan 8.190 nan 0.000 0.436 1331 A N 1.200 124.158 122.820 0.230 0.000 2.044 1331 A HA 0.293 4.612 4.320 -0.000 0.000 0.213 1331 A C 1.744 179.476 177.584 0.247 0.000 1.169 1331 A CA 1.206 53.351 52.037 0.179 0.000 0.724 1331 A CB -0.550 18.519 19.000 0.116 0.000 0.840 1331 A HN 1.046 nan 8.150 nan 0.000 0.463 1332 F N -1.351 118.611 119.950 0.019 0.000 2.811 1332 F HA 0.430 4.957 4.527 -0.000 0.000 0.301 1332 F C 1.735 177.536 175.800 0.002 0.000 1.151 1332 F CA 0.351 58.358 58.000 0.012 0.000 1.412 1332 F CB -0.008 38.994 39.000 0.005 0.000 1.113 1332 F HN 0.171 nan 8.300 nan 0.000 0.579 1333 A N 1.429 124.194 122.820 -0.091 0.000 1.855 1333 A HA -0.064 4.256 4.320 -0.000 0.000 0.213 1333 A C 2.004 179.535 177.584 -0.089 0.000 1.195 1333 A CA 1.139 53.063 52.037 -0.188 0.000 0.610 1333 A CB -0.677 18.274 19.000 -0.082 0.000 0.837 1333 A HN 0.506 nan 8.150 nan 0.000 0.444 1334 E N 0.619 120.817 120.200 -0.004 0.000 2.516 1334 E HA -0.066 4.284 4.350 -0.000 0.000 0.199 1334 E C 1.790 178.399 176.600 0.016 0.000 1.069 1334 E CA 0.757 57.167 56.400 0.017 0.000 0.876 1334 E CB -0.069 29.666 29.700 0.059 0.000 0.843 1334 E HN 0.773 nan 8.360 nan 0.000 0.530 1335 S N -0.183 115.509 115.700 -0.013 0.000 2.483 1335 S HA 0.067 4.537 4.470 -0.000 0.000 0.221 1335 S C 1.894 176.390 174.600 -0.173 0.000 1.030 1335 S CA -0.176 57.998 58.200 -0.043 0.000 0.925 1335 S CB 0.253 63.492 63.200 0.065 0.000 0.795 1335 S HN 0.068 nan 8.310 nan 0.000 0.511 1336 R N 0.121 120.512 120.500 -0.182 0.000 2.100 1336 R HA 0.269 4.609 4.340 -0.000 0.000 0.220 1336 R C -0.174 176.013 176.300 -0.189 0.000 1.091 1336 R CA 0.650 56.617 56.100 -0.221 0.000 0.986 1336 R CB 0.087 30.192 30.300 -0.325 0.000 0.888 1336 R HN 0.341 nan 8.270 nan 0.000 0.444 1337 I N 2.288 122.766 120.570 -0.152 0.000 2.306 1337 I HA 0.238 4.408 4.170 -0.000 0.000 0.288 1337 I C -0.685 175.361 176.117 -0.119 0.000 1.036 1337 I CA -0.080 61.144 61.300 -0.126 0.000 1.221 1337 I CB 1.201 39.161 38.000 -0.067 0.000 1.385 1337 I HN 0.075 nan 8.210 nan 0.000 0.472 1338 R N 4.762 125.173 120.500 -0.148 0.000 2.502 1338 R HA 0.367 4.707 4.340 -0.000 0.000 0.300 1338 R C 1.065 177.287 176.300 -0.129 0.000 0.984 1338 R CA -0.780 55.257 56.100 -0.105 0.000 0.882 1338 R CB 2.364 32.560 30.300 -0.173 0.000 1.180 1338 R HN 0.503 nan 8.270 nan 0.000 0.444 1339 R N 2.050 122.494 120.500 -0.094 0.000 2.127 1339 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 1339 R C 0.479 176.627 176.300 -0.253 0.000 1.134 1339 R CA 1.919 57.904 56.100 -0.192 0.000 0.975 1339 R CB 0.202 30.482 30.300 -0.034 0.000 0.865 1339 R HN 0.593 nan 8.270 nan 0.000 0.447 1340 E N -0.067 120.072 120.200 -0.101 0.000 2.051 1340 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 1340 E C 2.077 178.608 176.600 -0.115 0.000 0.991 1340 E CA 2.301 58.659 56.400 -0.071 0.000 0.799 1340 E CB -0.227 29.497 29.700 0.041 0.000 0.748 1340 E HN 0.633 nan 8.360 nan 0.000 0.449 1341 T N -1.298 113.185 114.554 -0.118 0.000 2.942 1341 T HA 0.025 4.375 4.350 -0.000 0.000 0.265 1341 T C 2.002 176.596 174.700 -0.177 0.000 1.062 1341 T CA 0.476 62.505 62.100 -0.118 0.000 1.139 1341 T CB -0.281 68.532 68.868 -0.091 0.000 0.883 1341 T HN 0.025 nan 8.240 nan 0.000 0.468 1342 I N 1.732 122.150 120.570 -0.254 0.000 2.286 1342 I HA -0.064 4.106 4.170 -0.000 0.000 0.248 1342 I C 3.085 178.954 176.117 -0.413 0.000 1.115 1342 I CA 1.191 62.298 61.300 -0.321 0.000 1.392 1342 I CB -0.390 37.370 38.000 -0.401 0.000 1.065 1342 I HN 0.358 nan 8.210 nan 0.000 0.418 1343 A N 0.360 122.849 122.820 -0.552 0.000 1.968 1343 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 1343 A C 2.490 179.978 177.584 -0.160 0.000 1.169 1343 A CA 1.379 53.174 52.037 -0.405 0.000 0.638 1343 A CB -0.606 18.198 19.000 -0.327 0.000 0.812 1343 A HN 0.396 nan 8.150 nan 0.000 0.446 1344 A N 0.045 122.768 122.820 -0.161 0.000 1.930 1344 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 1344 A C 1.985 179.453 177.584 -0.193 0.000 1.175 1344 A CA 1.648 53.607 52.037 -0.130 0.000 0.627 1344 A CB -0.558 18.374 19.000 -0.113 0.000 0.815 1344 A HN 0.678 nan 8.150 nan 0.000 0.443 1345 E N 0.198 120.249 120.200 -0.248 0.000 2.114 1345 E HA -0.314 4.036 4.350 -0.000 0.000 0.199 1345 E C 1.158 177.621 176.600 -0.228 0.000 1.008 1345 E CA 1.791 57.953 56.400 -0.396 0.000 0.810 1345 E CB -0.259 29.289 29.700 -0.254 0.000 0.739 1345 E HN 0.559 nan 8.360 nan 0.000 0.456 1346 D N 0.168 120.536 120.400 -0.053 0.000 2.097 1346 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 1346 D C 2.130 178.467 176.300 0.062 0.000 0.989 1346 D CA 1.377 55.417 54.000 0.067 0.000 0.827 1346 D CB -0.354 40.503 40.800 0.095 0.000 0.966 1346 D HN 0.150 nan 8.370 nan 0.000 0.456 1347 V N 1.071 120.983 119.914 -0.004 0.000 2.343 1347 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 1347 V C 2.616 178.682 176.094 -0.046 0.000 1.051 1347 V CA 1.132 63.433 62.300 0.001 0.000 1.036 1347 V CB -0.572 31.242 31.823 -0.014 0.000 0.654 1347 V HN 0.200 nan 8.190 nan 0.000 0.451 1348 L N -0.864 120.253 121.223 -0.177 0.000 2.127 1348 L HA -0.225 4.114 4.340 -0.000 0.000 0.211 1348 L C 2.464 179.178 176.870 -0.259 0.000 1.089 1348 L CA 1.744 56.425 54.840 -0.265 0.000 0.757 1348 L CB -0.762 41.011 42.059 -0.477 0.000 0.899 1348 L HN 0.412 nan 8.230 nan 0.000 0.434 1349 H N -0.901 118.066 119.070 -0.171 0.000 2.326 1349 H HA -0.180 4.376 4.556 -0.000 0.000 0.301 1349 H C 1.977 177.204 175.328 -0.167 0.000 1.081 1349 H CA 1.718 57.687 56.048 -0.132 0.000 1.334 1349 H CB 0.116 29.821 29.762 -0.095 0.000 1.385 1349 H HN 0.196 nan 8.280 nan 0.000 0.504 1350 D N -0.086 120.384 120.400 0.116 0.000 2.178 1350 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 1350 D C 1.581 177.941 176.300 0.100 0.000 0.980 1350 D CA 0.735 54.844 54.000 0.181 0.000 0.842 1350 D CB 0.006 40.946 40.800 0.233 0.000 0.948 1350 D HN 0.313 nan 8.370 nan 0.000 0.472 1351 L N -1.490 119.762 121.223 0.048 0.000 2.558 1351 L HA 0.226 4.566 4.340 -0.000 0.000 0.225 1351 L C 1.587 178.488 176.870 0.051 0.000 1.128 1351 L CA 0.488 55.362 54.840 0.055 0.000 0.868 1351 L CB 0.090 42.167 42.059 0.029 0.000 1.006 1351 L HN 0.236 nan 8.230 nan 0.000 0.454 1352 G N -0.442 108.364 108.800 0.010 0.000 2.141 1352 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.242 1352 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.242 1352 G C 0.872 175.787 174.900 0.025 0.000 0.982 1352 G CA 0.363 45.475 45.100 0.019 0.000 0.662 1352 G HN 0.402 nan 8.290 nan 0.000 0.527 1353 A N -0.968 121.868 122.820 0.027 0.000 2.081 1353 A HA 0.655 4.975 4.320 -0.000 0.000 0.214 1353 A C 0.590 178.281 177.584 0.178 0.000 1.158 1353 A CA 0.704 52.792 52.037 0.084 0.000 0.724 1353 A CB 0.067 19.125 19.000 0.096 0.000 0.826 1353 A HN 0.546 nan 8.150 nan 0.000 0.463 1354 F N -0.153 119.634 119.950 -0.271 0.000 2.420 1354 F HA 0.439 4.966 4.527 -0.000 0.000 0.342 1354 F C 1.159 176.805 175.800 -0.257 0.000 1.113 1354 F CA -1.113 56.662 58.000 -0.375 0.000 1.059 1354 F CB 1.948 40.401 39.000 -0.910 0.000 1.128 1354 F HN -0.028 nan 8.300 nan 0.000 0.475 1355 S N 2.357 118.052 115.700 -0.008 0.000 2.502 1355 S HA 0.333 4.803 4.470 -0.000 0.000 0.215 1355 S C -0.085 174.549 174.600 0.056 0.000 1.009 1355 S CA 0.081 58.286 58.200 0.008 0.000 0.908 1355 S CB 0.347 63.517 63.200 -0.050 0.000 0.801 1355 S HN 0.291 nan 8.310 nan 0.000 0.505 1356 L N 1.324 122.627 121.223 0.134 0.000 2.376 1356 L HA 0.546 4.886 4.340 -0.000 0.000 0.258 1356 L C -0.185 176.833 176.870 0.247 0.000 1.013 1356 L CA -0.298 54.626 54.840 0.141 0.000 0.822 1356 L CB 2.214 44.330 42.059 0.095 0.000 1.388 1356 L HN 0.060 nan 8.230 nan 0.000 0.413 1357 T N -1.785 112.872 114.554 0.172 0.000 2.924 1357 T HA 0.961 5.311 4.350 -0.000 0.000 0.291 1357 T C -0.423 174.341 174.700 0.107 0.000 1.045 1357 T CA -0.505 61.665 62.100 0.117 0.000 1.015 1357 T CB 1.855 70.723 68.868 0.000 0.000 1.103 1357 T HN 0.763 nan 8.240 nan 0.000 0.496 1358 S N -0.026 115.708 115.700 0.058 0.000 2.643 1358 S HA 0.584 5.054 4.470 -0.000 0.000 0.270 1358 S C 0.830 175.399 174.600 -0.053 0.000 1.166 1358 S CA -0.140 58.074 58.200 0.024 0.000 0.815 1358 S CB 1.068 64.299 63.200 0.052 0.000 1.139 1358 S HN 1.131 nan 8.310 nan 0.000 0.472 1359 S N 0.218 115.861 115.700 -0.096 0.000 2.339 1359 S HA 0.224 4.694 4.470 -0.000 0.000 0.213 1359 S C 0.370 174.823 174.600 -0.246 0.000 1.033 1359 S CA 1.142 59.258 58.200 -0.140 0.000 0.950 1359 S CB -0.802 62.322 63.200 -0.126 0.000 0.893 1359 S HN 1.300 nan 8.310 nan 0.000 0.492 1360 D N 1.579 121.751 120.400 -0.379 0.000 2.813 1360 D HA -0.127 4.513 4.640 -0.000 0.000 0.241 1360 D C -0.391 175.776 176.300 -0.222 0.000 1.071 1360 D CA 0.720 54.367 54.000 -0.588 0.000 0.747 1360 D CB -1.754 38.681 40.800 -0.609 0.000 1.077 1360 D HN 0.657 nan 8.370 nan 0.000 0.436 1361 S N 0.757 116.393 115.700 -0.105 0.000 2.555 1361 S HA 0.154 4.624 4.470 -0.000 0.000 0.293 1361 S C 1.049 175.570 174.600 -0.131 0.000 1.248 1361 S CA 0.863 58.993 58.200 -0.116 0.000 1.096 1361 S CB 1.238 64.368 63.200 -0.116 0.000 0.881 1361 S HN 0.412 nan 8.310 nan 0.000 0.498 1362 Q N 0.331 120.037 119.800 -0.158 0.000 2.452 1362 Q HA -0.265 4.075 4.340 -0.000 0.000 0.248 1362 Q C 0.346 176.189 176.000 -0.262 0.000 0.874 1362 Q CA 1.081 56.785 55.803 -0.165 0.000 1.208 1362 Q CB -1.996 26.691 28.738 -0.086 0.000 1.569 1362 Q HN 1.199 nan 8.270 nan 0.000 0.579 1363 A N 0.230 122.828 122.820 -0.371 0.000 2.992 1363 A HA 0.570 4.890 4.320 -0.000 0.000 0.263 1363 A C 0.349 177.704 177.584 -0.382 0.000 0.928 1363 A CA 0.120 51.847 52.037 -0.517 0.000 1.061 1363 A CB 0.364 18.712 19.000 -1.085 0.000 1.173 1363 A HN 0.347 nan 8.150 nan 0.000 0.482 1364 M N -1.298 118.124 119.600 -0.297 0.000 2.692 1364 M HA -0.131 4.349 4.480 -0.000 0.000 0.201 1364 M C 0.114 176.292 176.300 -0.204 0.000 0.805 1364 M CA 0.909 56.065 55.300 -0.241 0.000 0.638 1364 M CB -1.710 30.780 32.600 -0.183 0.000 1.775 1364 M HN 1.225 nan 8.290 nan 0.000 0.821 1365 G N 0.837 109.516 108.800 -0.201 0.000 2.442 1365 G HA2 0.621 4.581 3.960 -0.000 0.000 0.296 1365 G HA3 0.621 4.581 3.960 -0.000 0.000 0.296 1365 G C -1.487 173.321 174.900 -0.153 0.000 1.564 1365 G CA -1.194 43.804 45.100 -0.170 0.000 0.828 1365 G HN 0.305 nan 8.290 nan 0.000 0.571 1366 R N 1.518 121.941 120.500 -0.129 0.000 2.337 1366 R HA 0.416 4.756 4.340 -0.000 0.000 0.319 1366 R C 0.841 177.076 176.300 -0.109 0.000 0.954 1366 R CA -0.761 55.268 56.100 -0.118 0.000 0.840 1366 R CB 2.189 32.420 30.300 -0.115 0.000 1.164 1366 R HN 0.333 nan 8.270 nan 0.000 0.472 1367 V N 2.744 122.597 119.914 -0.102 0.000 2.720 1367 V HA -0.094 4.026 4.120 -0.000 0.000 0.256 1367 V C 1.392 177.438 176.094 -0.080 0.000 1.082 1367 V CA 2.385 64.629 62.300 -0.093 0.000 1.101 1367 V CB 0.032 31.805 31.823 -0.083 0.000 0.693 1367 V HN 0.983 nan 8.190 nan 0.000 0.479 1368 G N -1.223 107.529 108.800 -0.081 0.000 3.337 1368 G HA2 0.129 4.089 3.960 -0.000 0.000 0.246 1368 G HA3 0.129 4.089 3.960 -0.000 0.000 0.246 1368 G C 0.742 175.597 174.900 -0.075 0.000 1.131 1368 G CA -0.007 45.051 45.100 -0.070 0.000 0.773 1368 G HN 0.594 nan 8.290 nan 0.000 0.544 1369 E N 0.124 120.268 120.200 -0.092 0.000 2.624 1369 E HA 0.136 4.486 4.350 -0.000 0.000 0.210 1369 E C 1.500 178.035 176.600 -0.110 0.000 0.997 1369 E CA -0.217 56.127 56.400 -0.094 0.000 0.999 1369 E CB 1.072 30.711 29.700 -0.102 0.000 1.040 1369 E HN 0.201 nan 8.360 nan 0.000 0.469 1370 V N 0.921 120.757 119.914 -0.130 0.000 2.270 1370 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 1370 V C 2.170 178.093 176.094 -0.285 0.000 1.043 1370 V CA 1.595 63.795 62.300 -0.168 0.000 1.014 1370 V CB -0.268 31.468 31.823 -0.145 0.000 0.645 1370 V HN 0.347 nan 8.190 nan 0.000 0.447 1371 I N -0.435 119.913 120.570 -0.371 0.000 2.233 1371 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 1371 I C 2.425 178.414 176.117 -0.214 0.000 1.093 1371 I CA 1.530 62.494 61.300 -0.559 0.000 1.380 1371 I CB -0.305 37.411 38.000 -0.472 0.000 1.067 1371 I HN 0.287 nan 8.210 nan 0.000 0.413 1372 L N 0.935 122.106 121.223 -0.086 0.000 2.012 1372 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 1372 L C 2.796 179.663 176.870 -0.004 0.000 1.073 1372 L CA 1.647 56.494 54.840 0.011 0.000 0.748 1372 L CB -0.271 41.796 42.059 0.014 0.000 0.891 1372 L HN 0.124 nan 8.230 nan 0.000 0.431 1373 R N -1.021 119.441 120.500 -0.063 0.000 2.148 1373 R HA -0.104 4.236 4.340 -0.000 0.000 0.227 1373 R C 2.100 178.343 176.300 -0.094 0.000 1.103 1373 R CA 1.670 57.737 56.100 -0.055 0.000 0.983 1373 R CB -0.408 29.855 30.300 -0.062 0.000 0.874 1373 R HN 0.425 nan 8.270 nan 0.000 0.451 1374 T N -0.282 114.153 114.554 -0.198 0.000 2.746 1374 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 1374 T C 1.162 175.642 174.700 -0.368 0.000 1.039 1374 T CA 1.295 63.224 62.100 -0.284 0.000 1.142 1374 T CB -0.184 68.483 68.868 -0.336 0.000 0.866 1374 T HN 0.440 nan 8.240 nan 0.000 0.444 1375 W N 1.494 122.802 121.300 0.014 0.000 2.436 1375 W HA 0.051 4.711 4.660 -0.000 0.000 0.284 1375 W C 2.588 179.077 176.519 -0.050 0.000 1.225 1375 W CA 0.039 57.367 57.345 -0.029 0.000 1.271 1375 W CB -0.265 29.193 29.460 -0.003 0.000 1.114 1375 W HN 0.292 nan 8.180 nan 0.000 0.559 1376 Q N 0.048 119.919 119.800 0.118 0.000 2.119 1376 Q HA -0.158 4.182 4.340 -0.000 0.000 0.201 1376 Q C 2.138 178.190 176.000 0.087 0.000 0.972 1376 Q CA 1.627 57.485 55.803 0.092 0.000 0.847 1376 Q CB -0.458 28.311 28.738 0.052 0.000 0.903 1376 Q HN 0.172 nan 8.270 nan 0.000 0.433 1377 V N 0.947 120.875 119.914 0.024 0.000 2.295 1377 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 1377 V C 2.287 178.343 176.094 -0.063 0.000 1.049 1377 V CA 1.854 64.176 62.300 0.037 0.000 1.024 1377 V CB -1.060 30.814 31.823 0.085 0.000 0.648 1377 V HN 0.402 nan 8.190 nan 0.000 0.447 1378 A N -0.163 122.432 122.820 -0.375 0.000 1.908 1378 A HA -0.331 3.989 4.320 -0.000 0.000 0.218 1378 A C 2.124 179.616 177.584 -0.154 0.000 1.181 1378 A CA 2.513 54.148 52.037 -0.670 0.000 0.627 1378 A CB -0.913 17.550 19.000 -0.894 0.000 0.818 1378 A HN 0.815 nan 8.150 nan 0.000 0.445 1379 H N -0.883 118.141 119.070 -0.078 0.000 2.321 1379 H HA -0.062 4.494 4.556 -0.000 0.000 0.300 1379 H C 2.230 177.558 175.328 -0.000 0.000 1.087 1379 H CA 1.816 57.856 56.048 -0.012 0.000 1.319 1379 H CB -0.006 29.766 29.762 0.017 0.000 1.379 1379 H HN 0.217 nan 8.280 nan 0.000 0.501 1380 R N -0.146 120.375 120.500 0.035 0.000 2.120 1380 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 1380 R C 2.201 178.481 176.300 -0.033 0.000 1.123 1380 R CA 1.180 57.282 56.100 0.004 0.000 0.975 1380 R CB -0.324 30.036 30.300 0.100 0.000 0.866 1380 R HN 0.481 nan 8.270 nan 0.000 0.446 1381 M N 0.247 119.844 119.600 -0.005 0.000 2.200 1381 M HA -0.093 4.387 4.480 -0.000 0.000 0.265 1381 M C 2.114 178.412 176.300 -0.003 0.000 1.066 1381 M CA 1.279 56.597 55.300 0.031 0.000 1.127 1381 M CB -0.697 31.968 32.600 0.108 0.000 1.379 1381 M HN 0.033 nan 8.290 nan 0.000 0.420 1382 K N 0.359 120.729 120.400 -0.051 0.000 2.026 1382 K HA -0.098 4.222 4.320 -0.000 0.000 0.208 1382 K C 1.865 178.421 176.600 -0.072 0.000 1.048 1382 K CA 1.200 57.461 56.287 -0.043 0.000 0.929 1382 K CB 0.053 32.517 32.500 -0.059 0.000 0.713 1382 K HN 0.069 nan 8.250 nan 0.000 0.439 1383 V N 1.367 121.185 119.914 -0.159 0.000 2.427 1383 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 1383 V C 2.155 178.212 176.094 -0.061 0.000 1.051 1383 V CA 1.825 64.040 62.300 -0.142 0.000 1.048 1383 V CB -0.312 31.362 31.823 -0.248 0.000 0.666 1383 V HN 0.433 nan 8.190 nan 0.000 0.456 1384 Q N -0.841 118.935 119.800 -0.040 0.000 2.250 1384 Q HA 0.070 4.410 4.340 -0.000 0.000 0.200 1384 Q C 1.987 177.991 176.000 0.008 0.000 0.941 1384 Q CA 0.717 56.517 55.803 -0.006 0.000 0.872 1384 Q CB 0.154 28.900 28.738 0.013 0.000 0.965 1384 Q HN 0.533 nan 8.270 nan 0.000 0.480 1385 R N -0.303 120.206 120.500 0.016 0.000 2.437 1385 R HA 0.253 4.593 4.340 -0.000 0.000 0.257 1385 R C 0.537 176.854 176.300 0.027 0.000 0.927 1385 R CA 0.347 56.463 56.100 0.027 0.000 1.078 1385 R CB 1.271 31.597 30.300 0.044 0.000 1.161 1385 R HN 0.212 nan 8.270 nan 0.000 0.529 1386 G N 1.647 110.459 108.800 0.019 0.000 2.562 1386 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.250 1386 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.250 1386 G C -0.206 174.719 174.900 0.042 0.000 1.269 1386 G CA -0.381 44.732 45.100 0.023 0.000 0.919 1386 G HN 0.411 nan 8.290 nan 0.000 0.574 1387 A N -0.519 122.327 122.820 0.043 0.000 2.462 1387 A HA 0.615 4.935 4.320 -0.000 0.000 0.243 1387 A C 0.940 178.568 177.584 0.074 0.000 1.076 1387 A CA 0.199 52.273 52.037 0.061 0.000 0.773 1387 A CB 0.095 19.123 19.000 0.048 0.000 1.010 1387 A HN 1.155 nan 8.150 nan 0.000 0.493 1388 L N 1.381 122.671 121.223 0.112 0.000 2.472 1388 L HA 0.243 4.583 4.340 -0.000 0.000 0.260 1388 L C 1.882 178.787 176.870 0.059 0.000 1.209 1388 L CA 0.045 54.957 54.840 0.121 0.000 0.817 1388 L CB 0.615 42.811 42.059 0.229 0.000 1.106 1388 L HN 0.894 nan 8.230 nan 0.000 0.479 1389 A N 0.932 123.770 122.820 0.030 0.000 1.972 1389 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 1389 A C 1.864 179.399 177.584 -0.082 0.000 1.169 1389 A CA 1.410 53.437 52.037 -0.017 0.000 0.635 1389 A CB -0.406 18.583 19.000 -0.019 0.000 0.810 1389 A HN 0.869 nan 8.150 nan 0.000 0.446 1390 E N 0.037 120.135 120.200 -0.171 0.000 2.418 1390 E HA 0.016 4.366 4.350 -0.000 0.000 0.197 1390 E C 0.603 177.037 176.600 -0.276 0.000 1.026 1390 E CA 0.297 56.450 56.400 -0.412 0.000 0.862 1390 E CB 0.002 29.018 29.700 -1.140 0.000 0.799 1390 E HN 0.627 nan 8.360 nan 0.000 0.518 1391 E N 1.001 121.156 120.200 -0.074 0.000 2.373 1391 E HA 0.084 4.434 4.350 -0.000 0.000 0.267 1391 E C -0.483 176.115 176.600 -0.002 0.000 1.032 1391 E CA -0.012 56.407 56.400 0.032 0.000 0.889 1391 E CB 0.587 30.344 29.700 0.095 0.000 0.984 1391 E HN 0.071 nan 8.360 nan 0.000 0.425 1392 T N 0.908 115.472 114.554 0.017 0.000 2.906 1392 T HA 0.769 5.119 4.350 -0.000 0.000 0.295 1392 T C 0.339 175.052 174.700 0.022 0.000 1.061 1392 T CA -0.355 61.749 62.100 0.007 0.000 1.000 1392 T CB 1.434 70.303 68.868 0.003 0.000 1.103 1392 T HN 0.876 nan 8.240 nan 0.000 0.486 1393 G N 1.380 110.187 108.800 0.010 0.000 2.860 1393 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.553 1393 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.553 1393 G C -0.652 174.249 174.900 0.001 0.000 1.439 1393 G CA -0.259 44.845 45.100 0.007 0.000 0.879 1393 G HN 1.059 nan 8.290 nan 0.000 0.545 1394 D N 1.661 122.051 120.400 -0.016 0.000 2.619 1394 D HA 0.416 5.056 4.640 -0.000 0.000 0.224 1394 D C 0.782 177.065 176.300 -0.029 0.000 1.133 1394 D CA 0.609 54.587 54.000 -0.036 0.000 1.017 1394 D CB -0.475 40.281 40.800 -0.073 0.000 1.077 1394 D HN 0.722 nan 8.370 nan 0.000 0.503 1395 N N -0.666 118.045 118.700 0.018 0.000 3.227 1395 N HA 0.127 4.867 4.740 -0.000 0.000 0.241 1395 N C -1.067 174.495 175.510 0.085 0.000 1.480 1395 N CA -0.729 52.356 53.050 0.059 0.000 0.886 1395 N CB 1.077 39.597 38.487 0.057 0.000 1.406 1395 N HN -0.184 nan 8.380 nan 0.000 0.514 1396 D N -0.133 120.333 120.400 0.110 0.000 2.525 1396 D HA 0.114 4.754 4.640 -0.000 0.000 0.229 1396 D C 0.273 176.629 176.300 0.094 0.000 1.202 1396 D CA -0.216 53.849 54.000 0.108 0.000 0.828 1396 D CB -0.033 40.832 40.800 0.109 0.000 1.008 1396 D HN 0.355 nan 8.370 nan 0.000 0.493 1397 N N 0.731 119.481 118.700 0.083 0.000 2.094 1397 N HA -0.198 4.542 4.740 -0.000 0.000 0.191 1397 N C 1.433 176.985 175.510 0.070 0.000 1.023 1397 N CA 0.753 53.838 53.050 0.058 0.000 0.857 1397 N CB -0.448 38.072 38.487 0.056 0.000 1.013 1397 N HN 0.303 nan 8.380 nan 0.000 0.426 1398 F N 1.626 121.581 119.950 0.009 0.000 2.113 1398 F HA -0.087 4.440 4.527 -0.000 0.000 0.297 1398 F C 2.601 178.423 175.800 0.036 0.000 1.103 1398 F CA 1.232 59.216 58.000 -0.025 0.000 1.248 1398 F CB -0.091 38.886 39.000 -0.039 0.000 0.999 1398 F HN -0.088 nan 8.300 nan 0.000 0.475 1399 R N 0.056 120.598 120.500 0.070 0.000 2.091 1399 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 1399 R C 2.041 178.442 176.300 0.170 0.000 1.136 1399 R CA 1.940 58.113 56.100 0.122 0.000 0.959 1399 R CB -0.681 29.732 30.300 0.189 0.000 0.856 1399 R HN 0.303 nan 8.270 nan 0.000 0.437 1400 V N 1.254 121.259 119.914 0.152 0.000 2.295 1400 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 1400 V C 2.196 178.432 176.094 0.237 0.000 1.049 1400 V CA 2.076 64.554 62.300 0.297 0.000 1.024 1400 V CB -0.384 31.476 31.823 0.062 0.000 0.648 1400 V HN 0.395 nan 8.190 nan 0.000 0.447 1401 K N -0.281 120.108 120.400 -0.019 0.000 2.057 1401 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 1401 K C 2.361 178.948 176.600 -0.020 0.000 1.049 1401 K CA 1.612 57.874 56.287 -0.042 0.000 0.931 1401 K CB -0.257 32.118 32.500 -0.209 0.000 0.714 1401 K HN 0.352 nan 8.250 nan 0.000 0.440 1402 R N 0.093 120.415 120.500 -0.297 0.000 2.081 1402 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 1402 R C 1.764 178.014 176.300 -0.083 0.000 1.131 1402 R CA 1.543 57.517 56.100 -0.209 0.000 0.960 1402 R CB -0.222 29.863 30.300 -0.359 0.000 0.856 1402 R HN 0.189 nan 8.270 nan 0.000 0.436 1403 Y N 0.129 120.365 120.300 -0.107 0.000 2.286 1403 Y HA -0.035 4.515 4.550 -0.000 0.000 0.293 1403 Y C 2.090 177.803 175.900 -0.311 0.000 1.124 1403 Y CA 1.070 59.029 58.100 -0.236 0.000 1.178 1403 Y CB -0.064 38.126 38.460 -0.449 0.000 1.010 1403 Y HN 0.082 nan 8.280 nan 0.000 0.536 1404 I N -0.459 120.131 120.570 0.034 0.000 2.493 1404 I HA -0.256 3.914 4.170 -0.000 0.000 0.254 1404 I C 2.316 178.236 176.117 -0.329 0.000 1.160 1404 I CA 1.100 62.328 61.300 -0.121 0.000 1.445 1404 I CB -0.127 38.003 38.000 0.217 0.000 1.086 1404 I HN 0.180 nan 8.210 nan 0.000 0.433 1405 A N 0.553 123.307 122.820 -0.109 0.000 2.019 1405 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 1405 A C 2.199 179.696 177.584 -0.145 0.000 1.164 1405 A CA 1.567 53.544 52.037 -0.100 0.000 0.644 1405 A CB -0.463 18.510 19.000 -0.045 0.000 0.805 1405 A HN 0.434 nan 8.150 nan 0.000 0.449 1406 K N -1.372 118.939 120.400 -0.148 0.000 2.283 1406 K HA -0.123 4.197 4.320 -0.000 0.000 0.202 1406 K C 0.972 177.594 176.600 0.037 0.000 1.048 1406 K CA 1.563 57.823 56.287 -0.045 0.000 0.948 1406 K CB -0.217 32.272 32.500 -0.019 0.000 0.742 1406 K HN 0.921 nan 8.250 nan 0.000 0.458 1407 Y N -1.691 118.616 120.300 0.010 0.000 2.641 1407 Y HA 0.281 4.831 4.550 -0.000 0.000 0.248 1407 Y C 1.077 177.024 175.900 0.079 0.000 1.170 1407 Y CA -0.302 57.819 58.100 0.036 0.000 1.201 1407 Y CB -0.264 38.206 38.460 0.016 0.000 1.232 1407 Y HN -0.064 nan 8.280 nan 0.000 0.537 1408 T N -2.688 111.820 114.554 -0.077 0.000 3.257 1408 T HA 0.132 4.482 4.350 -0.000 0.000 0.176 1408 T C 1.290 176.006 174.700 0.026 0.000 0.892 1408 T CA 0.635 62.741 62.100 0.011 0.000 1.147 1408 T CB -0.743 68.118 68.868 -0.013 0.000 1.840 1408 T HN 0.084 nan 8.240 nan 0.000 0.375 1409 I N 2.935 123.499 120.570 -0.009 0.000 2.315 1409 I HA 0.017 4.187 4.170 -0.000 0.000 0.248 1409 I C 1.815 177.892 176.117 -0.066 0.000 1.117 1409 I CA 1.263 62.538 61.300 -0.041 0.000 1.404 1409 I CB -0.769 37.137 38.000 -0.156 0.000 1.071 1409 I HN 0.273 nan 8.210 nan 0.000 0.419 1410 N N 0.768 119.422 118.700 -0.077 0.000 2.188 1410 N HA -0.056 4.684 4.740 -0.000 0.000 0.184 1410 N C -0.912 174.569 175.510 -0.049 0.000 1.018 1410 N CA 1.430 54.433 53.050 -0.077 0.000 0.858 1410 N CB -1.753 36.685 38.487 -0.081 0.000 0.989 1410 N HN 0.326 nan 8.380 nan 0.000 0.426 1411 P HA 0.037 nan 4.420 nan 0.000 0.217 1411 P C 1.070 178.405 177.300 0.059 0.000 1.151 1411 P CA 1.200 64.332 63.100 0.053 0.000 0.828 1411 P CB -0.006 31.755 31.700 0.102 0.000 0.788 1412 A N -0.485 122.354 122.820 0.030 0.000 1.930 1412 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 1412 A C 2.226 179.810 177.584 -0.001 0.000 1.175 1412 A CA 1.286 53.331 52.037 0.013 0.000 0.627 1412 A CB -1.622 17.390 19.000 0.019 0.000 0.815 1412 A HN 0.104 nan 8.150 nan 0.000 0.443 1413 L N -0.847 120.362 121.223 -0.024 0.000 2.027 1413 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 1413 L C 2.781 179.605 176.870 -0.076 0.000 1.074 1413 L CA 1.748 56.562 54.840 -0.043 0.000 0.745 1413 L CB -0.842 41.175 42.059 -0.070 0.000 0.898 1413 L HN 0.333 nan 8.230 nan 0.000 0.433 1414 T N -2.019 112.468 114.554 -0.111 0.000 2.759 1414 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 1414 T C 1.528 176.029 174.700 -0.332 0.000 1.042 1414 T CA 1.180 63.145 62.100 -0.226 0.000 1.140 1414 T CB -0.266 68.423 68.868 -0.298 0.000 0.864 1414 T HN 0.371 nan 8.240 nan 0.000 0.455 1415 H N -0.311 118.721 119.070 -0.064 0.000 2.551 1415 H HA 0.326 4.882 4.556 -0.000 0.000 0.271 1415 H C 1.761 177.044 175.328 -0.075 0.000 0.984 1415 H CA 0.470 56.483 56.048 -0.058 0.000 1.164 1415 H CB 0.200 29.933 29.762 -0.049 0.000 1.437 1415 H HN 0.516 nan 8.280 nan 0.000 0.550 1416 G N 2.190 110.981 108.800 -0.014 0.000 2.160 1416 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 1416 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 1416 G C 0.791 175.759 174.900 0.113 0.000 1.022 1416 G CA 0.582 45.700 45.100 0.030 0.000 0.741 1416 G HN 0.606 nan 8.290 nan 0.000 0.508 1417 I N -3.959 116.619 120.570 0.015 0.000 3.966 1417 I HA 0.703 4.872 4.170 -0.000 0.000 0.324 1417 I C 1.592 177.656 176.117 -0.088 0.000 1.517 1417 I CA 0.290 61.517 61.300 -0.123 0.000 1.117 1417 I CB 0.393 38.059 38.000 -0.556 0.000 1.190 1417 I HN 0.120 nan 8.210 nan 0.000 0.466 1418 A N 1.734 124.593 122.820 0.066 0.000 2.168 1418 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 1418 A C 2.164 179.807 177.584 0.099 0.000 1.152 1418 A CA 1.331 53.406 52.037 0.063 0.000 0.716 1418 A CB -1.017 18.017 19.000 0.056 0.000 0.794 1418 A HN 0.770 nan 8.150 nan 0.000 0.465 1419 H N -1.440 117.666 119.070 0.060 0.000 2.502 1419 H HA 0.094 4.650 4.556 -0.000 0.000 0.283 1419 H C 0.956 176.344 175.328 0.100 0.000 1.015 1419 H CA 1.208 57.298 56.048 0.069 0.000 1.298 1419 H CB -0.006 29.792 29.762 0.061 0.000 1.411 1419 H HN 0.466 nan 8.280 nan 0.000 0.556 1420 E N 1.212 121.229 120.200 -0.305 0.000 2.206 1420 E HA 0.134 4.483 4.350 -0.000 0.000 0.195 1420 E C 1.299 177.916 176.600 0.028 0.000 0.935 1420 E CA 0.831 57.163 56.400 -0.114 0.000 0.875 1420 E CB 0.989 30.649 29.700 -0.066 0.000 0.841 1420 E HN 0.407 nan 8.360 nan 0.000 0.477 1421 V N -4.918 115.026 119.914 0.050 0.000 3.105 1421 V HA 0.841 4.961 4.120 -0.000 0.000 0.311 1421 V C 0.854 177.011 176.094 0.105 0.000 1.287 1421 V CA -0.211 62.153 62.300 0.105 0.000 1.066 1421 V CB 1.201 33.118 31.823 0.157 0.000 1.105 1421 V HN 0.301 nan 8.190 nan 0.000 0.462 1422 G N 0.038 108.916 108.800 0.131 0.000 2.232 1422 G HA2 0.029 3.989 3.960 -0.000 0.000 0.226 1422 G HA3 0.029 3.989 3.960 -0.000 0.000 0.226 1422 G C 0.272 175.279 174.900 0.179 0.000 0.996 1422 G CA 0.703 45.882 45.100 0.132 0.000 0.626 1422 G HN 2.431 nan 8.290 nan 0.000 0.509 1423 S N -1.136 114.694 115.700 0.216 0.000 2.615 1423 S HA 0.689 5.159 4.470 -0.000 0.000 0.269 1423 S C -0.684 174.090 174.600 0.289 0.000 1.161 1423 S CA -0.762 57.622 58.200 0.307 0.000 0.817 1423 S CB 1.446 64.912 63.200 0.444 0.000 1.131 1423 S HN 0.730 nan 8.310 nan 0.000 0.467 1424 I N 1.569 122.361 120.570 0.370 0.000 2.241 1424 I HA 0.381 4.551 4.170 -0.000 0.000 0.294 1424 I C -0.084 176.230 176.117 0.328 0.000 1.145 1424 I CA 0.195 61.701 61.300 0.343 0.000 1.261 1424 I CB -0.178 38.046 38.000 0.373 0.000 1.475 1424 I HN 0.583 nan 8.210 nan 0.000 0.533 1425 E N 3.603 123.909 120.200 0.177 0.000 2.340 1425 E HA 0.383 4.733 4.350 -0.000 0.000 0.273 1425 E C -0.903 175.713 176.600 0.025 0.000 0.891 1425 E CA -0.988 55.435 56.400 0.038 0.000 0.757 1425 E CB 3.244 32.966 29.700 0.037 0.000 1.231 1425 E HN 0.059 nan 8.360 nan 0.000 0.439 1426 V N 1.930 121.820 119.914 -0.040 0.000 2.617 1426 V HA 0.113 4.232 4.120 -0.000 0.000 0.304 1426 V C 1.382 177.471 176.094 -0.009 0.000 1.040 1426 V CA 2.161 64.436 62.300 -0.042 0.000 1.149 1426 V CB 0.387 32.141 31.823 -0.115 0.000 0.914 1426 V HN 1.101 nan 8.190 nan 0.000 0.487 1427 G N 3.933 112.744 108.800 0.018 0.000 2.217 1427 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.246 1427 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.246 1427 G C 0.310 175.247 174.900 0.061 0.000 0.990 1427 G CA 0.207 45.330 45.100 0.039 0.000 0.627 1427 G HN 0.591 nan 8.290 nan 0.000 0.522 1428 K N -0.162 120.280 120.400 0.070 0.000 2.090 1428 K HA 0.596 4.916 4.320 -0.000 0.000 0.250 1428 K C 0.241 176.892 176.600 0.084 0.000 1.004 1428 K CA -0.986 55.349 56.287 0.079 0.000 0.919 1428 K CB 1.474 34.031 32.500 0.096 0.000 1.045 1428 K HN 0.120 nan 8.250 nan 0.000 0.471 1429 L N 1.701 122.970 121.223 0.078 0.000 2.525 1429 L HA -0.029 4.311 4.340 -0.000 0.000 0.278 1429 L C -0.094 176.832 176.870 0.093 0.000 1.218 1429 L CA 0.755 55.640 54.840 0.074 0.000 0.878 1429 L CB 0.427 42.523 42.059 0.062 0.000 1.127 1429 L HN 0.727 nan 8.230 nan 0.000 0.492 1430 A N 4.085 126.959 122.820 0.090 0.000 3.037 1430 A HA 0.215 4.535 4.320 -0.000 0.000 0.272 1430 A C -0.437 177.203 177.584 0.092 0.000 1.723 1430 A CA -0.424 51.672 52.037 0.098 0.000 1.413 1430 A CB -1.053 18.003 19.000 0.094 0.000 1.112 1430 A HN 0.686 nan 8.150 nan 0.000 0.606 1431 D N 1.450 121.912 120.400 0.103 0.000 2.412 1431 D HA 0.577 5.217 4.640 -0.000 0.000 0.224 1431 D C -0.417 175.951 176.300 0.114 0.000 1.093 1431 D CA 0.413 54.473 54.000 0.101 0.000 0.850 1431 D CB 1.013 41.882 40.800 0.115 0.000 1.046 1431 D HN 0.397 nan 8.370 nan 0.000 0.507 1432 L N 1.358 122.636 121.223 0.092 0.000 2.409 1432 L HA 0.619 4.959 4.340 -0.000 0.000 0.262 1432 L C -0.742 176.153 176.870 0.042 0.000 0.992 1432 L CA -1.173 53.727 54.840 0.099 0.000 0.817 1432 L CB 2.493 44.609 42.059 0.096 0.000 1.350 1432 L HN -0.070 nan 8.230 nan 0.000 0.411 1433 V N 2.311 122.247 119.914 0.037 0.000 2.588 1433 V HA 0.464 4.584 4.120 -0.000 0.000 0.304 1433 V C -0.339 175.612 176.094 -0.238 0.000 1.042 1433 V CA -0.705 61.493 62.300 -0.170 0.000 0.877 1433 V CB 2.292 33.981 31.823 -0.224 0.000 0.996 1433 V HN 0.408 nan 8.190 nan 0.000 0.425 1434 V N 3.846 123.560 119.914 -0.333 0.000 2.398 1434 V HA 0.505 4.625 4.120 -0.000 0.000 0.286 1434 V C -0.956 174.969 176.094 -0.282 0.000 1.026 1434 V CA -0.502 61.700 62.300 -0.163 0.000 0.868 1434 V CB 1.329 33.115 31.823 -0.061 0.000 0.982 1434 V HN 0.909 nan 8.190 nan 0.000 0.443 1435 W N 2.226 123.595 121.300 0.115 0.000 2.736 1435 W HA 0.645 5.305 4.660 -0.000 0.000 0.335 1435 W C 0.387 176.992 176.519 0.144 0.000 1.059 1435 W CA -0.632 56.789 57.345 0.126 0.000 1.226 1435 W CB 1.766 31.337 29.460 0.185 0.000 1.416 1435 W HN 0.514 nan 8.180 nan 0.000 0.505 1436 S N 2.774 118.717 115.700 0.404 0.000 2.562 1436 S HA 0.317 4.787 4.470 -0.000 0.000 0.275 1436 S C -1.477 173.328 174.600 0.342 0.000 1.281 1436 S CA -1.196 57.195 58.200 0.319 0.000 1.045 1436 S CB 1.222 64.600 63.200 0.297 0.000 0.962 1436 S HN 0.255 nan 8.310 nan 0.000 0.503 1437 P HA -0.038 nan 4.420 nan 0.000 0.218 1437 P C 1.221 178.550 177.300 0.048 0.000 1.148 1437 P CA 1.573 64.730 63.100 0.095 0.000 0.822 1437 P CB -0.114 31.580 31.700 -0.009 0.000 0.784 1438 A N -1.959 120.890 122.820 0.048 0.000 2.067 1438 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 1438 A C 1.297 178.694 177.584 -0.311 0.000 1.158 1438 A CA 1.127 53.074 52.037 -0.151 0.000 0.661 1438 A CB -1.336 17.527 19.000 -0.229 0.000 0.801 1438 A HN 0.183 nan 8.150 nan 0.000 0.452 1439 F N -2.326 117.697 119.950 0.122 0.000 2.698 1439 F HA 0.319 4.846 4.527 -0.000 0.000 0.304 1439 F C 0.277 176.076 175.800 -0.001 0.000 1.108 1439 F CA -1.217 56.802 58.000 0.031 0.000 1.263 1439 F CB 0.004 39.078 39.000 0.123 0.000 1.013 1439 F HN 0.155 nan 8.300 nan 0.000 0.532 1440 F N 1.720 121.643 119.950 -0.045 0.000 2.604 1440 F HA 0.310 4.837 4.527 -0.000 0.000 0.393 1440 F C 1.324 176.711 175.800 -0.688 0.000 1.043 1440 F CA 1.106 58.862 58.000 -0.408 0.000 1.227 1440 F CB 0.302 38.984 39.000 -0.529 0.000 1.016 1440 F HN 0.346 nan 8.300 nan 0.000 0.556 1441 G N 3.310 110.749 108.800 -2.268 0.000 2.205 1441 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.261 1441 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.261 1441 G C 0.529 175.165 174.900 -0.440 0.000 0.980 1441 G CA 0.374 44.642 45.100 -1.385 0.000 0.632 1441 G HN 0.771 nan 8.290 nan 0.000 0.533 1442 V N -0.577 119.222 119.914 -0.191 0.000 2.840 1442 V HA 0.403 4.523 4.120 -0.000 0.000 0.234 1442 V C 0.955 177.160 176.094 0.184 0.000 1.159 1442 V CA 1.759 64.038 62.300 -0.034 0.000 1.194 1442 V CB 0.554 32.108 31.823 -0.448 0.000 0.971 1442 V HN 0.248 nan 8.190 nan 0.000 0.494 1443 K N 1.657 122.238 120.400 0.302 0.000 2.668 1443 K HA 0.395 4.715 4.320 -0.000 0.000 0.246 1443 K C -2.876 173.877 176.600 0.256 0.000 0.976 1443 K CA -1.558 54.881 56.287 0.252 0.000 0.902 1443 K CB 2.718 35.323 32.500 0.176 0.000 1.172 1443 K HN 0.173 nan 8.250 nan 0.000 0.452 1444 P HA 0.110 nan 4.420 nan 0.000 0.276 1444 P C -0.118 177.126 177.300 -0.094 0.000 1.252 1444 P CA -0.261 62.637 63.100 -0.338 0.000 0.802 1444 P CB 1.305 32.433 31.700 -0.953 0.000 1.035 1445 A N 0.963 123.689 122.820 -0.157 0.000 1.984 1445 A HA 0.192 4.512 4.320 -0.000 0.000 0.214 1445 A C 0.577 178.093 177.584 -0.113 0.000 1.173 1445 A CA 1.260 53.230 52.037 -0.112 0.000 0.673 1445 A CB -0.436 18.527 19.000 -0.061 0.000 0.830 1445 A HN 0.605 nan 8.150 nan 0.000 0.453 1446 T N -0.965 113.498 114.554 -0.152 0.000 3.012 1446 T HA 0.494 4.844 4.350 -0.000 0.000 0.330 1446 T C -1.429 173.187 174.700 -0.140 0.000 1.321 1446 T CA -0.394 61.644 62.100 -0.104 0.000 1.067 1446 T CB 1.937 70.761 68.868 -0.073 0.000 1.235 1446 T HN 0.036 nan 8.240 nan 0.000 0.479 1447 V N 3.549 123.414 119.914 -0.082 0.000 2.483 1447 V HA 0.537 4.657 4.120 -0.000 0.000 0.297 1447 V C -0.516 175.563 176.094 -0.025 0.000 1.027 1447 V CA -0.752 61.501 62.300 -0.080 0.000 0.855 1447 V CB 1.475 33.255 31.823 -0.072 0.000 0.995 1447 V HN 0.788 nan 8.190 nan 0.000 0.424 1448 I N 5.271 125.835 120.570 -0.009 0.000 2.321 1448 I HA 0.472 4.642 4.170 -0.000 0.000 0.291 1448 I C 0.016 176.156 176.117 0.038 0.000 0.998 1448 I CA -0.501 60.811 61.300 0.020 0.000 1.227 1448 I CB 1.259 39.275 38.000 0.027 0.000 1.368 1448 I HN 0.304 nan 8.210 nan 0.000 0.466 1449 K N 4.407 124.833 120.400 0.043 0.000 2.307 1449 K HA 0.386 4.706 4.320 -0.000 0.000 0.263 1449 K C 0.500 177.136 176.600 0.060 0.000 0.973 1449 K CA -0.404 55.915 56.287 0.053 0.000 0.846 1449 K CB 1.514 34.043 32.500 0.048 0.000 1.100 1449 K HN 0.832 nan 8.250 nan 0.000 0.438 1450 G N 2.138 110.976 108.800 0.064 0.000 2.283 1450 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.280 1450 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.280 1450 G C 0.802 175.750 174.900 0.080 0.000 1.029 1450 G CA 1.194 46.334 45.100 0.068 0.000 0.840 1450 G HN 1.126 nan 8.290 nan 0.000 0.505 1451 G N -2.031 106.811 108.800 0.070 0.000 2.199 1451 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.254 1451 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.254 1451 G C 0.335 175.263 174.900 0.048 0.000 0.982 1451 G CA 0.916 46.053 45.100 0.061 0.000 0.632 1451 G HN 1.055 nan 8.290 nan 0.000 0.529 1452 M N 0.541 120.173 119.600 0.054 0.000 2.456 1452 M HA 0.526 5.006 4.480 -0.000 0.000 0.324 1452 M C 0.435 176.763 176.300 0.047 0.000 1.124 1452 M CA -0.851 54.479 55.300 0.049 0.000 0.959 1452 M CB 1.991 34.628 32.600 0.062 0.000 1.692 1452 M HN 0.049 nan 8.290 nan 0.000 0.444 1453 I N 1.908 122.505 120.570 0.046 0.000 2.598 1453 I HA -0.015 4.155 4.170 -0.000 0.000 0.284 1453 I C 0.943 177.080 176.117 0.034 0.000 1.140 1453 I CA 0.186 61.505 61.300 0.032 0.000 1.420 1453 I CB 0.940 38.958 38.000 0.029 0.000 1.387 1453 I HN 0.891 nan 8.210 nan 0.000 0.553 1454 A N 7.220 130.050 122.820 0.018 0.000 2.085 1454 A HA 0.422 4.742 4.320 -0.000 0.000 0.208 1454 A C 0.578 178.160 177.584 -0.004 0.000 1.191 1454 A CA 0.452 52.496 52.037 0.011 0.000 0.799 1454 A CB 0.466 19.477 19.000 0.018 0.000 0.877 1454 A HN 0.653 nan 8.150 nan 0.000 0.473 1455 I N -2.106 118.466 120.570 0.004 0.000 2.842 1455 I HA 0.611 4.781 4.170 -0.000 0.000 0.297 1455 I C -1.445 174.704 176.117 0.052 0.000 1.380 1455 I CA -0.460 60.856 61.300 0.027 0.000 1.018 1455 I CB 2.152 40.180 38.000 0.047 0.000 1.311 1455 I HN 0.262 nan 8.210 nan 0.000 0.439 1456 A N 5.858 128.714 122.820 0.060 0.000 2.601 1456 A HA 0.846 5.166 4.320 -0.000 0.000 0.291 1456 A C -3.094 174.363 177.584 -0.212 0.000 1.075 1456 A CA -1.141 50.886 52.037 -0.016 0.000 0.671 1456 A CB 1.654 20.608 19.000 -0.077 0.000 1.277 1456 A HN 0.290 nan 8.150 nan 0.000 0.417 1457 P HA 0.489 nan 4.420 nan 0.000 0.276 1457 P C -0.832 176.233 177.300 -0.392 0.000 1.235 1457 P CA 0.106 62.759 63.100 -0.744 0.000 0.772 1457 P CB 0.773 32.003 31.700 -0.783 0.000 0.871 1458 M N 3.176 122.558 119.600 -0.363 0.000 2.326 1458 M HA 0.606 5.086 4.480 -0.000 0.000 0.292 1458 M C -0.212 175.933 176.300 -0.259 0.000 1.081 1458 M CA -0.435 54.705 55.300 -0.267 0.000 0.919 1458 M CB 1.724 34.176 32.600 -0.247 0.000 1.634 1458 M HN 0.428 nan 8.290 nan 0.000 0.451 1459 G N 1.388 110.087 108.800 -0.170 0.000 2.510 1459 G HA2 0.259 4.219 3.960 -0.000 0.000 0.280 1459 G HA3 0.259 4.219 3.960 -0.000 0.000 0.280 1459 G C -0.921 173.919 174.900 -0.100 0.000 1.386 1459 G CA -0.566 44.462 45.100 -0.120 0.000 1.047 1459 G HN 0.748 nan 8.290 nan 0.000 0.527 1460 D N -0.209 120.158 120.400 -0.054 0.000 2.581 1460 D HA -0.090 4.550 4.640 -0.000 0.000 0.238 1460 D C 1.722 177.999 176.300 -0.039 0.000 1.145 1460 D CA -0.318 53.663 54.000 -0.032 0.000 0.866 1460 D CB 0.303 41.094 40.800 -0.014 0.000 1.151 1460 D HN 0.020 nan 8.370 nan 0.000 0.500 1461 I N 3.766 124.314 120.570 -0.037 0.000 2.286 1461 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 1461 I C 1.867 177.972 176.117 -0.020 0.000 1.115 1461 I CA 1.026 62.305 61.300 -0.036 0.000 1.392 1461 I CB -1.267 36.713 38.000 -0.033 0.000 1.065 1461 I HN 0.479 nan 8.210 nan 0.000 0.418 1462 N N 0.955 119.647 118.700 -0.012 0.000 2.398 1462 N HA 0.107 4.847 4.740 -0.000 0.000 0.188 1462 N C 0.649 176.154 175.510 -0.007 0.000 1.122 1462 N CA 0.195 53.241 53.050 -0.007 0.000 0.866 1462 N CB 0.199 38.684 38.487 -0.003 0.000 0.970 1462 N HN 0.286 nan 8.380 nan 0.000 0.462 1463 A N -0.509 122.304 122.820 -0.012 0.000 2.327 1463 A HA 0.266 4.586 4.320 -0.000 0.000 0.255 1463 A C 1.385 178.963 177.584 -0.009 0.000 1.099 1463 A CA 0.223 52.253 52.037 -0.011 0.000 0.801 1463 A CB -0.003 18.988 19.000 -0.016 0.000 1.062 1463 A HN 0.451 nan 8.150 nan 0.000 0.496 1464 S N -0.646 115.049 115.700 -0.008 0.000 2.522 1464 S HA 0.213 4.683 4.470 -0.000 0.000 0.227 1464 S C 0.477 175.073 174.600 -0.006 0.000 0.986 1464 S CA 0.869 59.065 58.200 -0.006 0.000 0.929 1464 S CB -1.011 62.186 63.200 -0.005 0.000 0.769 1464 S HN 0.803 nan 8.310 nan 0.000 0.529 1465 I N -3.709 116.854 120.570 -0.011 0.000 3.195 1465 I HA 0.464 4.634 4.170 -0.000 0.000 0.313 1465 I C -2.681 173.422 176.117 -0.022 0.000 1.237 1465 I CA -2.703 58.589 61.300 -0.013 0.000 0.963 1465 I CB 1.532 39.525 38.000 -0.012 0.000 1.278 1465 I HN -0.386 nan 8.210 nan 0.000 0.460 1466 P HA 0.035 nan 4.420 nan 0.000 0.255 1466 P C 1.045 178.308 177.300 -0.062 0.000 1.248 1466 P CA 0.739 63.812 63.100 -0.046 0.000 0.807 1466 P CB 0.002 31.674 31.700 -0.047 0.000 1.150 1467 T N -4.731 109.793 114.554 -0.050 0.000 3.065 1467 T HA 0.207 4.557 4.350 -0.000 0.000 0.252 1467 T C -1.630 173.041 174.700 -0.048 0.000 1.099 1467 T CA -0.508 61.559 62.100 -0.055 0.000 1.063 1467 T CB -1.713 67.129 68.868 -0.043 0.000 0.948 1467 T HN 0.087 nan 8.240 nan 0.000 0.506 1468 P HA 0.282 nan 4.420 nan 0.000 0.275 1468 P C 0.052 177.336 177.300 -0.027 0.000 1.228 1468 P CA -0.354 62.729 63.100 -0.027 0.000 0.786 1468 P CB 0.453 32.141 31.700 -0.019 0.000 0.927 1469 Q N 2.567 122.357 119.800 -0.016 0.000 2.432 1469 Q HA 0.168 4.508 4.340 -0.000 0.000 0.264 1469 Q C -1.883 174.125 176.000 0.014 0.000 1.035 1469 Q CA -1.017 54.784 55.803 -0.002 0.000 0.908 1469 Q CB -0.705 28.034 28.738 0.001 0.000 1.280 1469 Q HN 0.388 nan 8.270 nan 0.000 0.455 1470 P HA 0.223 nan 4.420 nan 0.000 0.284 1470 P C -0.858 176.489 177.300 0.078 0.000 1.253 1470 P CA -0.403 62.744 63.100 0.079 0.000 0.800 1470 P CB 0.904 32.682 31.700 0.132 0.000 0.961 1471 V N 4.767 124.698 119.914 0.028 0.000 2.350 1471 V HA 0.373 4.493 4.120 -0.000 0.000 0.276 1471 V C 0.144 176.227 176.094 -0.019 0.000 1.028 1471 V CA -0.138 62.117 62.300 -0.075 0.000 0.860 1471 V CB 0.100 31.845 31.823 -0.130 0.000 0.990 1471 V HN 0.875 nan 8.190 nan 0.000 0.453 1472 H N 2.086 121.065 119.070 -0.151 0.000 3.016 1472 H HA 0.633 5.189 4.556 -0.000 0.000 0.362 1472 H C -1.571 173.653 175.328 -0.175 0.000 1.233 1472 H CA -1.109 54.871 56.048 -0.113 0.000 1.124 1472 H CB 0.829 30.595 29.762 0.007 0.000 1.850 1472 H HN 0.375 nan 8.280 nan 0.000 0.549 1473 Y N 1.274 121.604 120.300 0.050 0.000 2.465 1473 Y HA 0.286 4.836 4.550 -0.000 0.000 0.331 1473 Y C 0.613 176.493 175.900 -0.034 0.000 1.102 1473 Y CA 0.214 58.300 58.100 -0.025 0.000 1.358 1473 Y CB 0.601 39.065 38.460 0.007 0.000 1.213 1473 Y HN 0.359 nan 8.280 nan 0.000 0.525 1474 R N 4.655 125.158 120.500 0.005 0.000 2.686 1474 R HA 0.417 4.756 4.340 -0.000 0.000 0.286 1474 R C -2.878 173.399 176.300 -0.039 0.000 0.969 1474 R CA -2.300 53.775 56.100 -0.042 0.000 0.898 1474 R CB 1.676 31.879 30.300 -0.161 0.000 1.183 1474 R HN 0.343 nan 8.270 nan 0.000 0.456 1475 P HA 0.079 nan 4.420 nan 0.000 0.271 1475 P C -0.456 176.750 177.300 -0.155 0.000 1.216 1475 P CA 0.044 63.102 63.100 -0.069 0.000 0.771 1475 P CB 0.722 32.387 31.700 -0.058 0.000 0.864 1476 M N 1.745 121.253 119.600 -0.152 0.000 2.634 1476 M HA 0.305 4.785 4.480 -0.000 0.000 0.251 1476 M C 1.601 177.740 176.300 -0.268 0.000 1.092 1476 M CA -0.644 54.500 55.300 -0.260 0.000 1.015 1476 M CB -0.575 31.957 32.600 -0.114 0.000 1.427 1476 M HN 0.177 nan 8.290 nan 0.000 0.580 1477 F N 0.530 120.462 119.950 -0.030 0.000 2.269 1477 F HA -0.028 4.499 4.527 -0.000 0.000 0.301 1477 F C 2.295 178.075 175.800 -0.033 0.000 1.082 1477 F CA 1.346 59.325 58.000 -0.034 0.000 1.360 1477 F CB -0.963 38.014 39.000 -0.037 0.000 1.041 1477 F HN 0.735 nan 8.300 nan 0.000 0.512 1478 G N -0.496 108.371 108.800 0.112 0.000 2.509 1478 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.218 1478 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.218 1478 G C 1.603 176.517 174.900 0.023 0.000 1.124 1478 G CA 0.651 45.790 45.100 0.064 0.000 0.776 1478 G HN 0.429 nan 8.290 nan 0.000 0.547 1479 A N -0.376 122.441 122.820 -0.004 0.000 2.308 1479 A HA 0.585 4.905 4.320 -0.000 0.000 0.217 1479 A C 0.678 178.234 177.584 -0.046 0.000 1.216 1479 A CA -0.247 51.776 52.037 -0.025 0.000 0.864 1479 A CB 0.091 19.071 19.000 -0.033 0.000 0.902 1479 A HN 0.261 nan 8.150 nan 0.000 0.499 1480 L N -0.446 120.753 121.223 -0.039 0.000 2.295 1480 L HA 0.522 4.862 4.340 -0.000 0.000 0.285 1480 L C 1.554 178.365 176.870 -0.099 0.000 1.035 1480 L CA -0.186 54.623 54.840 -0.053 0.000 0.806 1480 L CB 1.135 43.193 42.059 -0.003 0.000 1.214 1480 L HN 0.506 nan 8.230 nan 0.000 0.426 1481 G N 2.193 110.905 108.800 -0.146 0.000 2.685 1481 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.357 1481 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.357 1481 G C 1.083 175.723 174.900 -0.435 0.000 1.272 1481 G CA 0.887 45.848 45.100 -0.231 0.000 0.972 1481 G HN 0.612 nan 8.290 nan 0.000 0.550 1482 S N 0.648 116.221 115.700 -0.212 0.000 2.423 1482 S HA 0.128 4.598 4.470 -0.000 0.000 0.231 1482 S C 2.701 177.273 174.600 -0.047 0.000 1.014 1482 S CA 1.685 59.823 58.200 -0.103 0.000 0.965 1482 S CB -0.472 62.740 63.200 0.020 0.000 0.785 1482 S HN 1.225 nan 8.310 nan 0.000 0.495 1483 A N 1.753 124.542 122.820 -0.053 0.000 1.898 1483 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 1483 A C 2.024 179.623 177.584 0.025 0.000 1.181 1483 A CA 1.415 53.456 52.037 0.006 0.000 0.620 1483 A CB -0.539 18.471 19.000 0.017 0.000 0.819 1483 A HN 0.480 nan 8.150 nan 0.000 0.442 1484 R N -0.778 119.678 120.500 -0.072 0.000 2.091 1484 R HA -0.221 4.119 4.340 -0.000 0.000 0.238 1484 R C 1.923 178.226 176.300 0.005 0.000 1.136 1484 R CA 2.077 58.141 56.100 -0.060 0.000 0.959 1484 R CB -0.551 29.670 30.300 -0.132 0.000 0.856 1484 R HN 0.779 nan 8.270 nan 0.000 0.437 1485 H N -2.215 116.881 119.070 0.043 0.000 2.421 1485 H HA -0.157 4.399 4.556 -0.000 0.000 0.298 1485 H C 1.903 177.246 175.328 0.025 0.000 1.087 1485 H CA 1.460 57.519 56.048 0.019 0.000 1.330 1485 H CB -0.052 29.723 29.762 0.021 0.000 1.388 1485 H HN 0.442 nan 8.280 nan 0.000 0.526 1486 H N -0.804 118.326 119.070 0.100 0.000 2.502 1486 H HA 0.003 4.559 4.556 -0.000 0.000 0.283 1486 H C 1.202 176.547 175.328 0.028 0.000 1.015 1486 H CA 1.049 57.128 56.048 0.052 0.000 1.298 1486 H CB 0.203 29.985 29.762 0.035 0.000 1.411 1486 H HN 0.291 nan 8.280 nan 0.000 0.556 1487 C N 1.631 120.999 119.300 0.113 0.000 2.974 1487 C HA 0.282 4.742 4.460 -0.000 0.000 0.282 1487 C C 0.608 175.613 174.990 0.024 0.000 1.292 1487 C CA -0.344 58.720 59.018 0.077 0.000 1.710 1487 C CB -1.282 26.518 27.740 0.100 0.000 2.036 1487 C HN 0.523 nan 8.230 nan 0.000 0.629 1488 R N 0.033 120.533 120.500 -0.001 0.000 2.888 1488 R HA 0.834 5.174 4.340 -0.000 0.000 0.266 1488 R C -1.566 174.673 176.300 -0.102 0.000 1.020 1488 R CA -0.682 55.402 56.100 -0.027 0.000 0.963 1488 R CB 0.997 31.301 30.300 0.007 0.000 1.197 1488 R HN 0.093 nan 8.270 nan 0.000 0.481 1489 L N 0.805 121.919 121.223 -0.182 0.000 2.362 1489 L HA 0.456 4.796 4.340 -0.000 0.000 0.271 1489 L C -0.587 176.045 176.870 -0.397 0.000 1.002 1489 L CA -0.971 53.658 54.840 -0.352 0.000 0.818 1489 L CB 2.699 44.368 42.059 -0.650 0.000 1.298 1489 L HN 0.736 nan 8.230 nan 0.000 0.420 1490 T N 2.331 116.687 114.554 -0.331 0.000 2.771 1490 T HA 0.511 4.861 4.350 -0.000 0.000 0.281 1490 T C -0.482 174.046 174.700 -0.286 0.000 0.982 1490 T CA -0.188 61.779 62.100 -0.223 0.000 0.978 1490 T CB 0.300 69.097 68.868 -0.119 0.000 0.930 1490 T HN 0.103 nan 8.240 nan 0.000 0.447 1491 F N 3.326 123.296 119.950 0.033 0.000 2.396 1491 F HA 0.544 5.071 4.527 -0.000 0.000 0.343 1491 F C 0.447 176.275 175.800 0.046 0.000 1.104 1491 F CA -0.786 57.244 58.000 0.049 0.000 1.161 1491 F CB 0.752 39.794 39.000 0.070 0.000 1.146 1491 F HN 0.168 nan 8.300 nan 0.000 0.522 1492 L N 1.528 122.892 121.223 0.236 0.000 2.283 1492 L HA 0.508 4.848 4.340 -0.000 0.000 0.259 1492 L C -0.122 176.830 176.870 0.137 0.000 1.027 1492 L CA -1.058 53.866 54.840 0.140 0.000 0.828 1492 L CB 2.399 44.505 42.059 0.079 0.000 1.380 1492 L HN 0.654 nan 8.230 nan 0.000 0.425 1493 S N -0.596 115.159 115.700 0.092 0.000 2.614 1493 S HA 0.156 4.626 4.470 -0.000 0.000 0.265 1493 S C 0.513 175.148 174.600 0.059 0.000 1.303 1493 S CA -0.508 57.735 58.200 0.073 0.000 1.000 1493 S CB 1.337 64.567 63.200 0.051 0.000 0.935 1493 S HN 0.672 nan 8.310 nan 0.000 0.551 1494 Q N 0.767 120.595 119.800 0.046 0.000 2.124 1494 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 1494 Q C 2.484 178.498 176.000 0.023 0.000 0.977 1494 Q CA 1.575 57.398 55.803 0.032 0.000 0.850 1494 Q CB -0.608 28.141 28.738 0.018 0.000 0.901 1494 Q HN 0.919 nan 8.270 nan 0.000 0.429 1495 A N 0.953 123.785 122.820 0.020 0.000 1.902 1495 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 1495 A C 2.273 179.866 177.584 0.014 0.000 1.181 1495 A CA 1.619 53.665 52.037 0.014 0.000 0.623 1495 A CB -0.813 18.194 19.000 0.011 0.000 0.818 1495 A HN 0.406 nan 8.150 nan 0.000 0.443 1496 A N -0.241 122.591 122.820 0.020 0.000 1.930 1496 A HA 0.213 4.533 4.320 -0.000 0.000 0.217 1496 A C 2.487 180.079 177.584 0.012 0.000 1.175 1496 A CA 1.913 53.959 52.037 0.015 0.000 0.627 1496 A CB -0.955 18.058 19.000 0.021 0.000 0.815 1496 A HN 1.028 nan 8.150 nan 0.000 0.443 1497 A N -0.001 122.831 122.820 0.020 0.000 1.902 1497 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 1497 A C 2.502 180.092 177.584 0.010 0.000 1.181 1497 A CA 2.125 54.172 52.037 0.017 0.000 0.623 1497 A CB -1.008 18.010 19.000 0.030 0.000 0.818 1497 A HN 1.031 nan 8.150 nan 0.000 0.443 1498 A N 0.585 123.411 122.820 0.011 0.000 1.877 1498 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 1498 A C 1.631 179.216 177.584 0.002 0.000 1.186 1498 A CA 1.585 53.625 52.037 0.006 0.000 0.620 1498 A CB -0.626 18.377 19.000 0.006 0.000 0.822 1498 A HN 0.564 nan 8.150 nan 0.000 0.443 1499 N N 0.014 118.715 118.700 0.002 0.000 2.575 1499 N HA 0.072 4.812 4.740 -0.000 0.000 0.192 1499 N C 1.026 176.534 175.510 -0.004 0.000 1.200 1499 N CA 0.990 54.039 53.050 -0.001 0.000 0.897 1499 N CB -0.265 38.222 38.487 -0.000 0.000 0.990 1499 N HN 0.695 nan 8.380 nan 0.000 0.449 1500 G N 0.473 109.270 108.800 -0.005 0.000 2.273 1500 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.280 1500 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.280 1500 G C 0.956 175.847 174.900 -0.015 0.000 1.047 1500 G CA 0.381 45.475 45.100 -0.010 0.000 0.869 1500 G HN 0.237 nan 8.290 nan 0.000 0.502 1501 V N -0.037 119.869 119.914 -0.014 0.000 2.407 1501 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 1501 V C 3.178 179.252 176.094 -0.034 0.000 1.055 1501 V CA 3.012 65.299 62.300 -0.022 0.000 1.049 1501 V CB -0.810 31.003 31.823 -0.016 0.000 0.662 1501 V HN 0.972 nan 8.190 nan 0.000 0.455 1502 A N 0.107 122.908 122.820 -0.032 0.000 1.933 1502 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 1502 A C 2.086 179.641 177.584 -0.049 0.000 1.175 1502 A CA 2.028 54.038 52.037 -0.045 0.000 0.628 1502 A CB -0.379 18.595 19.000 -0.044 0.000 0.814 1502 A HN 0.590 nan 8.150 nan 0.000 0.444 1503 E N -0.563 119.615 120.200 -0.037 0.000 2.076 1503 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 1503 E C 2.079 178.658 176.600 -0.036 0.000 0.979 1503 E CA 1.127 57.506 56.400 -0.035 0.000 0.807 1503 E CB -0.339 29.346 29.700 -0.025 0.000 0.761 1503 E HN 0.657 nan 8.360 nan 0.000 0.454 1504 R N 0.590 121.070 120.500 -0.034 0.000 2.096 1504 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 1504 R C 1.537 177.808 176.300 -0.048 0.000 1.127 1504 R CA 1.009 57.088 56.100 -0.035 0.000 0.968 1504 R CB -0.123 30.159 30.300 -0.030 0.000 0.861 1504 R HN 0.205 nan 8.270 nan 0.000 0.440 1505 L N 0.596 121.782 121.223 -0.060 0.000 2.591 1505 L HA 0.095 4.435 4.340 -0.000 0.000 0.228 1505 L C 0.394 177.214 176.870 -0.082 0.000 1.133 1505 L CA 0.020 54.813 54.840 -0.079 0.000 0.880 1505 L CB -0.228 41.775 42.059 -0.093 0.000 1.033 1505 L HN 0.368 nan 8.230 nan 0.000 0.450 1506 N N 1.303 119.960 118.700 -0.072 0.000 2.758 1506 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 1506 N C -0.133 175.315 175.510 -0.105 0.000 1.076 1506 N CA 0.130 53.134 53.050 -0.076 0.000 0.696 1506 N CB -0.695 37.752 38.487 -0.066 0.000 0.979 1506 N HN 0.287 nan 8.380 nan 0.000 0.550 1507 L N 0.758 121.915 121.223 -0.109 0.000 2.453 1507 L HA 0.015 4.355 4.340 -0.000 0.000 0.272 1507 L C 1.755 178.520 176.870 -0.175 0.000 1.182 1507 L CA 0.285 55.040 54.840 -0.142 0.000 0.858 1507 L CB 0.545 42.534 42.059 -0.117 0.000 1.120 1507 L HN 0.106 nan 8.230 nan 0.000 0.474 1508 R N 0.490 120.817 120.500 -0.288 0.000 2.237 1508 R HA 0.111 4.451 4.340 -0.000 0.000 0.195 1508 R C 0.527 176.639 176.300 -0.313 0.000 0.956 1508 R CA 0.062 55.936 56.100 -0.378 0.000 1.029 1508 R CB 0.199 30.081 30.300 -0.696 0.000 0.972 1508 R HN 0.530 nan 8.270 nan 0.000 0.493 1509 S N 0.390 115.939 115.700 -0.252 0.000 2.645 1509 S HA 0.553 5.023 4.470 -0.000 0.000 0.266 1509 S C 0.121 174.656 174.600 -0.108 0.000 1.258 1509 S CA -0.607 57.532 58.200 -0.103 0.000 0.990 1509 S CB 1.205 64.364 63.200 -0.069 0.000 0.967 1509 S HN 0.370 nan 8.310 nan 0.000 0.556 1510 A N 1.389 124.140 122.820 -0.114 0.000 2.445 1510 A HA 0.429 4.749 4.320 -0.000 0.000 0.242 1510 A C -0.164 177.328 177.584 -0.152 0.000 1.075 1510 A CA -0.059 51.894 52.037 -0.141 0.000 0.777 1510 A CB -0.233 18.657 19.000 -0.184 0.000 1.013 1510 A HN 0.583 nan 8.150 nan 0.000 0.493 1511 I N 0.736 121.231 120.570 -0.125 0.000 2.493 1511 I HA 0.630 4.800 4.170 -0.000 0.000 0.298 1511 I C 0.543 176.598 176.117 -0.104 0.000 0.998 1511 I CA -0.127 61.101 61.300 -0.120 0.000 1.137 1511 I CB 1.310 39.272 38.000 -0.064 0.000 1.310 1511 I HN 0.776 nan 8.210 nan 0.000 0.445 1512 A N 5.675 128.424 122.820 -0.118 0.000 2.469 1512 A HA 0.856 5.176 4.320 -0.000 0.000 0.299 1512 A C -1.186 176.535 177.584 0.230 0.000 1.098 1512 A CA -0.521 51.538 52.037 0.037 0.000 0.737 1512 A CB 1.849 20.828 19.000 -0.034 0.000 1.312 1512 A HN 0.365 nan 8.150 nan 0.000 0.414 1513 V N 1.128 121.239 119.914 0.329 0.000 2.628 1513 V HA 0.559 4.679 4.120 -0.000 0.000 0.306 1513 V C 0.164 176.462 176.094 0.340 0.000 1.045 1513 V CA -0.545 61.918 62.300 0.273 0.000 0.905 1513 V CB 1.674 33.585 31.823 0.147 0.000 0.997 1513 V HN 1.096 nan 8.190 nan 0.000 0.436 1514 V N 2.499 122.555 119.914 0.236 0.000 2.686 1514 V HA 0.787 4.907 4.120 -0.000 0.000 0.295 1514 V C -0.352 175.781 176.094 0.066 0.000 1.057 1514 V CA -0.416 61.992 62.300 0.179 0.000 1.012 1514 V CB 1.094 32.973 31.823 0.094 0.000 1.006 1514 V HN 1.056 nan 8.190 nan 0.000 0.477 1515 K N 2.220 122.626 120.400 0.009 0.000 2.568 1515 K HA 0.663 4.983 4.320 -0.000 0.000 0.273 1515 K C 0.069 176.634 176.600 -0.059 0.000 0.951 1515 K CA -0.418 55.831 56.287 -0.063 0.000 0.854 1515 K CB 1.524 33.942 32.500 -0.137 0.000 1.424 1515 K HN 2.045 nan 8.250 nan 0.000 0.427 1516 G N 0.861 109.630 108.800 -0.052 0.000 2.142 1516 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.225 1516 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.225 1516 G C 0.513 175.385 174.900 -0.046 0.000 1.015 1516 G CA 0.073 45.145 45.100 -0.045 0.000 0.716 1516 G HN 0.640 nan 8.290 nan 0.000 0.508 1517 C N -0.204 119.066 119.300 -0.050 0.000 2.495 1517 C HA 0.147 4.607 4.460 -0.000 0.000 0.275 1517 C C 2.471 177.416 174.990 -0.076 0.000 1.392 1517 C CA 1.036 60.009 59.018 -0.074 0.000 1.766 1517 C CB -0.429 27.270 27.740 -0.069 0.000 1.933 1517 C HN 0.594 nan 8.230 nan 0.000 0.519 1518 R N 0.997 121.464 120.500 -0.056 0.000 2.254 1518 R HA 0.025 4.365 4.340 -0.000 0.000 0.195 1518 R C 1.768 178.040 176.300 -0.046 0.000 0.957 1518 R CA 1.339 57.408 56.100 -0.051 0.000 1.024 1518 R CB -1.536 28.741 30.300 -0.039 0.000 0.952 1518 R HN 0.673 nan 8.270 nan 0.000 0.484 1519 T N -2.071 112.456 114.554 -0.045 0.000 3.086 1519 T HA 0.170 4.520 4.350 -0.000 0.000 0.250 1519 T C 0.901 175.575 174.700 -0.043 0.000 1.074 1519 T CA -0.265 61.812 62.100 -0.039 0.000 0.988 1519 T CB 0.082 68.930 68.868 -0.034 0.000 0.988 1519 T HN -0.059 nan 8.240 nan 0.000 0.530 1520 V N 2.938 122.819 119.914 -0.055 0.000 2.686 1520 V HA 0.466 4.586 4.120 -0.000 0.000 0.295 1520 V C -0.313 175.745 176.094 -0.060 0.000 1.055 1520 V CA -0.430 61.834 62.300 -0.061 0.000 1.050 1520 V CB 1.022 32.798 31.823 -0.079 0.000 0.984 1520 V HN 0.762 nan 8.190 nan 0.000 0.482 1521 Q N 4.064 123.833 119.800 -0.053 0.000 2.683 1521 Q HA 0.472 4.812 4.340 -0.000 0.000 0.302 1521 Q C 0.294 176.265 176.000 -0.047 0.000 1.042 1521 Q CA -0.937 54.839 55.803 -0.046 0.000 0.773 1521 Q CB 1.408 30.128 28.738 -0.030 0.000 1.508 1521 Q HN 0.427 nan 8.270 nan 0.000 0.459 1522 K N 0.662 121.040 120.400 -0.037 0.000 2.113 1522 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 1522 K C 1.778 178.361 176.600 -0.028 0.000 1.047 1522 K CA 2.346 58.611 56.287 -0.035 0.000 0.928 1522 K CB -0.846 31.642 32.500 -0.021 0.000 0.716 1522 K HN 0.655 nan 8.250 nan 0.000 0.446 1523 A N 0.546 123.354 122.820 -0.020 0.000 2.125 1523 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 1523 A C 1.242 178.813 177.584 -0.022 0.000 1.156 1523 A CA 1.785 53.814 52.037 -0.013 0.000 0.671 1523 A CB -0.378 18.616 19.000 -0.009 0.000 0.794 1523 A HN 0.385 nan 8.150 nan 0.000 0.459 1524 D N -0.477 119.901 120.400 -0.036 0.000 2.349 1524 D HA 0.035 4.675 4.640 -0.000 0.000 0.215 1524 D C 0.269 176.526 176.300 -0.072 0.000 1.016 1524 D CA 0.255 54.226 54.000 -0.049 0.000 0.870 1524 D CB -0.083 40.686 40.800 -0.052 0.000 0.917 1524 D HN 0.274 nan 8.370 nan 0.000 0.524 1525 M N 1.720 121.279 119.600 -0.069 0.000 2.251 1525 M HA 0.063 4.543 4.480 -0.000 0.000 0.346 1525 M C 0.009 176.246 176.300 -0.105 0.000 1.499 1525 M CA -0.266 54.982 55.300 -0.088 0.000 1.128 1525 M CB 0.662 33.221 32.600 -0.068 0.000 1.809 1525 M HN -0.320 nan 8.290 nan 0.000 0.464 1526 V N 6.421 126.224 119.914 -0.186 0.000 2.509 1526 V HA -0.087 4.033 4.120 -0.000 0.000 0.297 1526 V C 1.133 177.072 176.094 -0.259 0.000 1.014 1526 V CA 0.322 62.431 62.300 -0.318 0.000 1.127 1526 V CB -0.754 30.764 31.823 -0.508 0.000 0.925 1526 V HN 0.898 nan 8.190 nan 0.000 0.480 1527 H N 2.772 121.874 119.070 0.053 0.000 3.141 1527 H HA -0.166 4.390 4.556 -0.000 0.000 0.260 1527 H C 0.651 176.016 175.328 0.062 0.000 1.132 1527 H CA 1.389 57.500 56.048 0.105 0.000 1.171 1527 H CB -1.353 28.401 29.762 -0.014 0.000 1.274 1527 H HN 0.848 nan 8.280 nan 0.000 0.329 1528 N N -0.019 118.739 118.700 0.097 0.000 2.646 1528 N HA 0.113 4.853 4.740 -0.000 0.000 0.303 1528 N C 0.202 175.728 175.510 0.027 0.000 1.921 1528 N CA 0.664 53.742 53.050 0.047 0.000 0.872 1528 N CB 0.926 39.413 38.487 -0.001 0.000 1.327 1528 N HN 0.309 nan 8.380 nan 0.000 0.492 1529 S N -0.633 115.095 115.700 0.047 0.000 2.602 1529 S HA 0.163 4.633 4.470 -0.000 0.000 0.240 1529 S C 0.355 174.971 174.600 0.026 0.000 0.992 1529 S CA -0.446 57.768 58.200 0.025 0.000 0.971 1529 S CB 0.157 63.371 63.200 0.023 0.000 0.855 1529 S HN 0.233 nan 8.310 nan 0.000 0.481 1530 L N 2.572 123.816 121.223 0.036 0.000 2.410 1530 L HA 0.348 4.688 4.340 -0.000 0.000 0.273 1530 L C -0.121 176.762 176.870 0.020 0.000 1.152 1530 L CA 0.752 55.610 54.840 0.031 0.000 0.855 1530 L CB 0.554 42.637 42.059 0.039 0.000 1.129 1530 L HN 0.290 nan 8.230 nan 0.000 0.463 1531 Q N 7.132 126.937 119.800 0.007 0.000 2.626 1531 Q HA 0.373 4.713 4.340 -0.000 0.000 0.239 1531 Q C -2.190 173.802 176.000 -0.014 0.000 1.101 1531 Q CA -1.782 54.016 55.803 -0.009 0.000 0.918 1531 Q CB 0.818 29.539 28.738 -0.028 0.000 1.151 1531 Q HN 0.554 nan 8.270 nan 0.000 0.531 1532 P HA 0.028 nan 4.420 nan 0.000 0.274 1532 P C -0.630 176.659 177.300 -0.018 0.000 1.237 1532 P CA -0.436 62.662 63.100 -0.002 0.000 0.793 1532 P CB 0.803 32.510 31.700 0.013 0.000 0.977 1533 N N 1.899 120.587 118.700 -0.019 0.000 2.663 1533 N HA 0.194 4.934 4.740 -0.000 0.000 0.250 1533 N C -0.765 174.738 175.510 -0.011 0.000 1.129 1533 N CA -0.329 52.706 53.050 -0.026 0.000 0.995 1533 N CB -0.845 37.627 38.487 -0.025 0.000 1.324 1533 N HN 0.402 nan 8.380 nan 0.000 0.512 1534 I N 2.585 123.152 120.570 -0.005 0.000 2.377 1534 I HA 0.493 4.663 4.170 -0.000 0.000 0.293 1534 I C -0.432 175.695 176.117 0.017 0.000 0.987 1534 I CA -0.346 60.961 61.300 0.011 0.000 1.185 1534 I CB 1.230 39.248 38.000 0.030 0.000 1.341 1534 I HN 0.562 nan 8.210 nan 0.000 0.455 1535 T N 4.074 118.637 114.554 0.015 0.000 2.907 1535 T HA 0.712 5.062 4.350 -0.000 0.000 0.292 1535 T C -0.892 173.822 174.700 0.022 0.000 1.043 1535 T CA -0.714 61.396 62.100 0.016 0.000 1.003 1535 T CB 1.812 70.684 68.868 0.007 0.000 1.084 1535 T HN 0.282 nan 8.240 nan 0.000 0.483 1536 V N 2.145 122.075 119.914 0.028 0.000 2.487 1536 V HA 0.415 4.535 4.120 -0.000 0.000 0.298 1536 V C -0.295 175.827 176.094 0.047 0.000 1.028 1536 V CA -0.926 61.401 62.300 0.046 0.000 0.860 1536 V CB 1.661 33.517 31.823 0.055 0.000 0.991 1536 V HN 1.060 nan 8.190 nan 0.000 0.427 1537 D N 3.541 123.972 120.400 0.053 0.000 2.343 1537 D HA 0.249 4.889 4.640 -0.000 0.000 0.255 1537 D C 1.109 177.446 176.300 0.062 0.000 1.187 1537 D CA 0.362 54.378 54.000 0.026 0.000 0.875 1537 D CB 2.104 42.903 40.800 -0.001 0.000 1.136 1537 D HN 0.656 nan 8.370 nan 0.000 0.469 1538 A N 4.190 127.029 122.820 0.031 0.000 2.024 1538 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 1538 A C 1.839 179.429 177.584 0.010 0.000 1.164 1538 A CA 1.636 53.708 52.037 0.058 0.000 0.643 1538 A CB -0.115 18.878 19.000 -0.012 0.000 0.806 1538 A HN 0.678 nan 8.150 nan 0.000 0.451 1539 Q N -1.277 118.453 119.800 -0.117 0.000 2.287 1539 Q HA 0.016 4.356 4.340 -0.000 0.000 0.201 1539 Q C 2.070 177.746 176.000 -0.541 0.000 0.946 1539 Q CA 1.495 57.143 55.803 -0.258 0.000 0.868 1539 Q CB -0.439 28.207 28.738 -0.154 0.000 0.967 1539 Q HN 0.701 nan 8.270 nan 0.000 0.516 1540 T N -3.313 111.023 114.554 -0.364 0.000 3.057 1540 T HA -0.010 4.340 4.350 -0.000 0.000 0.254 1540 T C -0.105 174.426 174.700 -0.281 0.000 1.094 1540 T CA 0.133 62.023 62.100 -0.350 0.000 1.088 1540 T CB -0.058 68.722 68.868 -0.146 0.000 0.934 1540 T HN 0.269 nan 8.240 nan 0.000 0.497 1541 Y N 0.683 120.971 120.300 -0.019 0.000 4.798 1541 Y HA -0.183 4.367 4.550 -0.000 0.000 0.237 1541 Y C 0.240 176.123 175.900 -0.027 0.000 1.017 1541 Y CA -0.265 57.822 58.100 -0.022 0.000 2.010 1541 Y CB -2.920 35.525 38.460 -0.025 0.000 1.582 1541 Y HN 0.521 nan 8.280 nan 0.000 0.621 1542 E N 0.341 120.590 120.200 0.082 0.000 2.392 1542 E HA 0.347 4.697 4.350 -0.000 0.000 0.264 1542 E C 0.067 176.689 176.600 0.037 0.000 1.024 1542 E CA -0.106 56.320 56.400 0.043 0.000 0.903 1542 E CB 1.174 30.882 29.700 0.013 0.000 0.963 1542 E HN 0.030 nan 8.360 nan 0.000 0.432 1543 V N 3.986 123.911 119.914 0.018 0.000 2.439 1543 V HA 0.347 4.467 4.120 -0.000 0.000 0.282 1543 V C 0.137 176.233 176.094 0.003 0.000 1.039 1543 V CA -0.387 61.918 62.300 0.009 0.000 0.913 1543 V CB 1.146 32.963 31.823 -0.009 0.000 0.983 1543 V HN 0.604 nan 8.190 nan 0.000 0.460 1544 R N 2.758 123.261 120.500 0.005 0.000 2.750 1544 R HA 0.790 5.130 4.340 -0.000 0.000 0.281 1544 R C -1.656 174.645 176.300 0.001 0.000 0.972 1544 R CA -0.727 55.374 56.100 0.001 0.000 0.912 1544 R CB 2.608 32.909 30.300 0.001 0.000 1.187 1544 R HN 0.488 nan 8.270 nan 0.000 0.464 1545 V N 2.957 122.871 119.914 -0.001 0.000 2.407 1545 V HA 0.175 4.295 4.120 -0.000 0.000 0.291 1545 V C -0.571 175.522 176.094 -0.002 0.000 1.018 1545 V CA -0.621 61.678 62.300 -0.001 0.000 0.842 1545 V CB 1.510 33.333 31.823 -0.001 0.000 0.996 1545 V HN 0.868 nan 8.190 nan 0.000 0.426 1546 D N 4.553 124.951 120.400 -0.004 0.000 2.705 1546 D HA -0.197 4.443 4.640 -0.000 0.000 0.240 1546 D C 1.369 177.667 176.300 -0.004 0.000 1.137 1546 D CA 1.439 55.437 54.000 -0.005 0.000 0.677 1546 D CB -0.904 39.894 40.800 -0.004 0.000 1.049 1546 D HN 1.351 nan 8.370 nan 0.000 0.427 1547 G N 0.292 109.091 108.800 -0.003 0.000 2.270 1547 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.268 1547 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.268 1547 G C 0.214 175.113 174.900 -0.002 0.000 0.982 1547 G CA 1.128 46.226 45.100 -0.003 0.000 0.628 1547 G HN 0.741 nan 8.290 nan 0.000 0.544 1548 E N 0.530 120.729 120.200 -0.001 0.000 2.259 1548 E HA 0.595 4.945 4.350 -0.000 0.000 0.281 1548 E C 0.181 176.781 176.600 -0.000 0.000 1.027 1548 E CA -1.150 55.250 56.400 0.000 0.000 0.838 1548 E CB 1.597 31.298 29.700 0.001 0.000 1.066 1548 E HN 0.414 nan 8.360 nan 0.000 0.401 1549 L N 4.502 125.726 121.223 0.001 0.000 2.410 1549 L HA 0.202 4.542 4.340 -0.000 0.000 0.273 1549 L C -0.954 175.916 176.870 -0.000 0.000 1.152 1549 L CA -0.092 54.748 54.840 0.000 0.000 0.855 1549 L CB 0.494 42.554 42.059 0.002 0.000 1.129 1549 L HN 0.592 nan 8.230 nan 0.000 0.463 1550 I N 5.347 125.914 120.570 -0.006 0.000 2.362 1550 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 1550 I C 0.270 176.380 176.117 -0.013 0.000 0.994 1550 I CA -0.088 61.206 61.300 -0.011 0.000 1.158 1550 I CB 0.727 38.712 38.000 -0.025 0.000 1.315 1550 I HN 0.732 nan 8.210 nan 0.000 0.451 1551 T N 4.111 118.665 114.554 -0.000 0.000 2.731 1551 T HA 0.795 5.145 4.350 -0.000 0.000 0.300 1551 T C -1.034 173.687 174.700 0.035 0.000 1.283 1551 T CA -0.259 61.845 62.100 0.007 0.000 1.005 1551 T CB 1.613 70.492 68.868 0.018 0.000 1.420 1551 T HN 0.773 nan 8.240 nan 0.000 0.503 1552 S N 0.662 116.408 115.700 0.076 0.000 2.611 1552 S HA 0.707 5.177 4.470 -0.000 0.000 0.268 1552 S C -1.895 172.828 174.600 0.204 0.000 1.156 1552 S CA -0.986 57.286 58.200 0.120 0.000 0.817 1552 S CB 1.754 65.030 63.200 0.126 0.000 1.122 1552 S HN 0.620 nan 8.310 nan 0.000 0.466 1553 E N 1.805 122.090 120.200 0.141 0.000 2.204 1553 E HA 0.533 4.883 4.350 -0.000 0.000 0.276 1553 E C -2.619 173.941 176.600 -0.067 0.000 0.974 1553 E CA -2.213 54.225 56.400 0.064 0.000 0.815 1553 E CB 1.492 31.200 29.700 0.013 0.000 1.119 1553 E HN 0.484 nan 8.360 nan 0.000 0.393 1554 P HA 0.166 nan 4.420 nan 0.000 0.280 1554 P C -0.794 176.341 177.300 -0.275 0.000 1.244 1554 P CA -0.334 62.361 63.100 -0.675 0.000 0.784 1554 P CB 0.885 31.997 31.700 -0.980 0.000 0.913 1555 A N 3.173 125.888 122.820 -0.175 0.000 2.407 1555 A HA 0.219 4.538 4.320 -0.000 0.000 0.248 1555 A C 1.082 178.621 177.584 -0.075 0.000 1.082 1555 A CA -0.259 51.735 52.037 -0.071 0.000 0.785 1555 A CB 0.027 19.021 19.000 -0.011 0.000 1.020 1555 A HN 0.618 nan 8.150 nan 0.000 0.489 1556 D N 0.271 120.646 120.400 -0.040 0.000 2.338 1556 D HA 0.138 4.778 4.640 -0.000 0.000 0.208 1556 D C 0.103 176.396 176.300 -0.011 0.000 0.997 1556 D CA 0.487 54.468 54.000 -0.031 0.000 0.880 1556 D CB -0.064 40.723 40.800 -0.022 0.000 0.980 1556 D HN 0.184 nan 8.370 nan 0.000 0.509 1557 V N 0.728 120.644 119.914 0.003 0.000 2.851 1557 V HA 0.400 4.520 4.120 -0.000 0.000 0.307 1557 V C -0.803 175.304 176.094 0.022 0.000 1.129 1557 V CA -0.848 61.459 62.300 0.013 0.000 0.932 1557 V CB 2.815 34.645 31.823 0.013 0.000 1.024 1557 V HN 0.033 nan 8.190 nan 0.000 0.426 1558 L N 4.867 126.097 121.223 0.013 0.000 2.333 1558 L HA 0.678 5.018 4.340 -0.000 0.000 0.263 1558 L C -2.270 174.574 176.870 -0.044 0.000 1.014 1558 L CA -1.761 53.073 54.840 -0.010 0.000 0.820 1558 L CB 3.026 45.093 42.059 0.013 0.000 1.352 1558 L HN 0.464 nan 8.230 nan 0.000 0.421 1559 P HA 0.251 nan 4.420 nan 0.000 0.279 1559 P C -0.183 177.126 177.300 0.014 0.000 1.282 1559 P CA -0.417 62.612 63.100 -0.119 0.000 0.788 1559 P CB 0.574 32.072 31.700 -0.337 0.000 1.139 1560 M N -2.738 116.940 119.600 0.131 0.000 2.393 1560 M HA -0.262 4.218 4.480 -0.000 0.000 0.201 1560 M C 0.304 176.780 176.300 0.293 0.000 0.403 1560 M CA 0.884 56.253 55.300 0.115 0.000 0.471 1560 M CB -2.139 30.452 32.600 -0.016 0.000 1.669 1560 M HN 0.576 nan 8.290 nan 0.000 0.864 1561 A N -0.309 122.724 122.820 0.355 0.000 2.677 1561 A HA 0.320 4.640 4.320 -0.000 0.000 0.197 1561 A C 1.002 178.805 177.584 0.365 0.000 1.471 1561 A CA 0.238 52.481 52.037 0.343 0.000 1.527 1561 A CB 0.054 19.153 19.000 0.165 0.000 1.695 1561 A HN 0.445 nan 8.150 nan 0.000 0.557 1562 Q N -0.173 119.738 119.800 0.185 0.000 2.364 1562 Q HA -0.055 4.285 4.340 -0.000 0.000 0.209 1562 Q C 1.913 177.930 176.000 0.028 0.000 0.977 1562 Q CA 1.113 56.989 55.803 0.122 0.000 0.885 1562 Q CB -0.076 28.697 28.738 0.057 0.000 0.941 1562 Q HN 0.523 nan 8.270 nan 0.000 0.464 1563 R N -0.548 119.912 120.500 -0.067 0.000 2.189 1563 R HA -0.107 4.233 4.340 -0.000 0.000 0.218 1563 R C 0.750 176.781 176.300 -0.448 0.000 1.074 1563 R CA 1.053 56.956 56.100 -0.329 0.000 0.991 1563 R CB 0.270 30.227 30.300 -0.572 0.000 0.883 1563 R HN 0.327 nan 8.270 nan 0.000 0.457 1564 Y N -2.269 117.965 120.300 -0.111 0.000 2.498 1564 Y HA 0.224 4.774 4.550 -0.000 0.000 0.259 1564 Y C -0.068 175.596 175.900 -0.393 0.000 1.086 1564 Y CA -0.337 57.591 58.100 -0.286 0.000 1.287 1564 Y CB 0.645 38.775 38.460 -0.550 0.000 1.146 1564 Y HN -0.166 nan 8.280 nan 0.000 0.523 1565 F N -0.255 119.811 119.950 0.193 0.000 2.469 1565 F HA 0.267 4.794 4.527 -0.000 0.000 0.332 1565 F C 0.716 176.536 175.800 0.034 0.000 1.103 1565 F CA -0.887 57.194 58.000 0.135 0.000 0.979 1565 F CB 1.635 40.716 39.000 0.135 0.000 1.137 1565 F HN -0.222 nan 8.300 nan 0.000 0.463 1566 L N 2.350 123.684 121.223 0.184 0.000 2.141 1566 L HA 0.106 4.446 4.340 -0.000 0.000 0.209 1566 L C -0.507 176.143 176.870 -0.367 0.000 1.094 1566 L CA 1.913 56.684 54.840 -0.114 0.000 0.763 1566 L CB -0.269 41.729 42.059 -0.101 0.000 0.908 1566 L HN 0.457 nan 8.230 nan 0.000 0.437 1567 F N 0.000 120.036 119.950 0.143 0.000 2.286 1567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1567 F CA 0.000 58.046 58.000 0.077 0.000 1.383 1567 F CB 0.000 39.026 39.000 0.043 0.000 1.145 1567 F HN 0.000 nan 8.300 nan 0.000 0.574