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 2xwj_1_F DATA FIRST_RESID 730 DATA SEQUENCE DEDIIAEENI VSRSEFPESW LWNVEDLKEP PKNGISTKLM NIFLKDSITT DATA SEQUENCE WEILAVSMSD KKGICVADPF EVTVMQDFFI DLRLPYSVVR NEQVEIRAVL DATA SEQUENCE YNYRQNQELK VRVELLHNPA FcSLATTKRR HQQTVTIPPK SSLSVPYVIV DATA SEQUENCE PLKTGLQEVE VKAAVYHHFI SDGVRKSLKV VPEGIRMNKT VAVRTLDPER DATA SEQUENCE LGREGVQKED IPPADLSDQV PDTESETRIL LQGTPVAQMT EDAVDAERLK DATA SEQUENCE HLIVTPSGCG EENMIGMTPT VIAVHYLDET EQWEKFGLEK RQGALELIKK DATA SEQUENCE GYTQQLAFRQ PSSAFAAFVK RAPSTWLTAY VVKVFSLAVN LIAIDSQVLc DATA SEQUENCE GAVKWLILEK QKPDGVFQED APVIHQEMIG GLRNNNEKDM ALTAFVLISL DATA SEQUENCE QEAKDIcEEQ VNSLPGSITK AGDFLEANYM NLQRSYTVAI AGYALAQMGR DATA SEQUENCE LKGPLLNKFL TTAKDKNRWE DPGKQLYNVE ATSYALLALL QLKDFDFVPP DATA SEQUENCE VVRWLNEQRY YGGGYGSTQA TFMVFQALAQ YQKDAPDHQE LNLDVSLQLP DATA SEQUENCE SRSSKITHRI HWESASLLRS EETKENEGFT VTAEGKGQGT LSVVTMYHAK DATA SEQUENCE AKDQLTcNKF DLKVTIKPAP XXXXXXXXXK NTMILEIcTR YRGDQDATMS DATA SEQUENCE ILDISMMTGF APDTDDLKQL ANGVDRYISK YELDKAFSDR NTLIIYLDKV DATA SEQUENCE SHSEDDcLAF KVHQYFNVEL IQPGAVKVYA YYNLEEScTR FYHPEKEDGK DATA SEQUENCE LNKLcRDELc RcAEENcFIQ KXXDKVTLEE RLDKAcEPGV DYVYKTRLVK DATA SEQUENCE VQLSNDFDEY IMAIEQTIKS GSDEVQVGQQ RTFISPIKcR EALKLEEKKH DATA SEQUENCE YLMWGLSSDF WGEKPNLSYI IGKDTWVEHW PEEDEcQDEE NQKQcQDLGA DATA SEQUENCE FTESMVVFGc PN 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 730 D HA 0.000 nan 4.640 nan 0.000 0.175 730 D C 0.000 176.313 176.300 0.021 0.000 2.045 730 D CA 0.000 54.042 54.000 0.070 0.000 0.868 730 D CB 0.000 40.907 40.800 0.179 0.000 0.688 731 E N 0.609 120.835 120.200 0.043 0.000 2.250 731 E HA 0.137 4.487 4.350 -0.000 0.000 0.192 731 E C 0.310 176.890 176.600 -0.033 0.000 0.986 731 E CA 0.912 57.319 56.400 0.013 0.000 0.849 731 E CB 0.394 30.114 29.700 0.035 0.000 0.797 731 E HN 0.189 nan 8.360 nan 0.000 0.482 732 D N -1.267 119.081 120.400 -0.087 0.000 2.489 732 D HA 0.279 4.919 4.640 -0.000 0.000 0.232 732 D C 0.619 176.768 176.300 -0.251 0.000 1.230 732 D CA -0.054 53.848 54.000 -0.163 0.000 1.101 732 D CB 0.370 41.023 40.800 -0.246 0.000 1.198 732 D HN -0.032 nan 8.370 nan 0.000 0.611 733 I N -2.082 118.294 120.570 -0.323 0.000 8.594 733 I HA -0.304 3.865 4.170 -0.000 0.000 0.126 733 I C -0.997 175.001 176.117 -0.199 0.000 1.734 733 I CA 0.310 61.409 61.300 -0.334 0.000 2.198 733 I CB -0.713 36.929 38.000 -0.596 0.000 3.637 733 I HN 0.288 nan 8.210 nan 0.000 0.216 734 I N 2.015 122.467 120.570 -0.196 0.000 2.437 734 I HA 0.574 4.743 4.170 -0.000 0.000 0.298 734 I C 1.094 177.140 176.117 -0.119 0.000 0.984 734 I CA -0.242 60.969 61.300 -0.149 0.000 1.214 734 I CB 1.493 39.365 38.000 -0.214 0.000 1.365 734 I HN 0.823 nan 8.210 nan 0.000 0.469 735 A N 4.901 127.676 122.820 -0.075 0.000 2.561 735 A HA 0.011 4.331 4.320 -0.000 0.000 0.234 735 A C 0.938 178.496 177.584 -0.044 0.000 1.055 735 A CA 0.012 52.019 52.037 -0.050 0.000 0.756 735 A CB 0.040 19.025 19.000 -0.025 0.000 0.986 735 A HN 0.766 nan 8.150 nan 0.000 0.505 736 E N 1.457 121.639 120.200 -0.029 0.000 2.485 736 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 736 E C 0.222 176.823 176.600 0.002 0.000 1.098 736 E CA 0.650 57.044 56.400 -0.011 0.000 0.878 736 E CB 0.188 29.889 29.700 0.001 0.000 0.939 736 E HN 0.779 nan 8.360 nan 0.000 0.503 737 E N -0.760 119.439 120.200 -0.002 0.000 2.467 737 E HA 0.074 4.424 4.350 -0.000 0.000 0.213 737 E C 0.794 177.397 176.600 0.004 0.000 0.823 737 E CA -0.014 56.390 56.400 0.007 0.000 1.233 737 E CB 0.079 29.786 29.700 0.011 0.000 1.233 737 E HN -0.022 nan 8.360 nan 0.000 0.585 738 N N 0.675 119.372 118.700 -0.005 0.000 2.501 738 N HA 0.081 4.821 4.740 -0.000 0.000 0.195 738 N C -0.442 175.061 175.510 -0.012 0.000 1.213 738 N CA 0.385 53.433 53.050 -0.004 0.000 0.864 738 N CB 0.152 38.636 38.487 -0.005 0.000 0.999 738 N HN 0.229 nan 8.380 nan 0.000 0.454 739 I N 1.051 121.615 120.570 -0.010 0.000 2.297 739 I HA 0.120 4.290 4.170 -0.000 0.000 0.291 739 I C -0.089 176.035 176.117 0.011 0.000 1.033 739 I CA -0.709 60.587 61.300 -0.007 0.000 1.253 739 I CB 1.236 39.235 38.000 -0.001 0.000 1.396 739 I HN -0.301 nan 8.210 nan 0.000 0.476 740 V N 6.300 126.222 119.914 0.013 0.000 2.341 740 V HA 0.039 4.159 4.120 -0.000 0.000 0.248 740 V C 0.777 176.886 176.094 0.026 0.000 1.107 740 V CA 0.017 62.327 62.300 0.017 0.000 1.069 740 V CB -0.179 31.652 31.823 0.014 0.000 1.177 740 V HN 0.761 nan 8.190 nan 0.000 0.492 741 S N 5.203 120.923 115.700 0.034 0.000 2.576 741 S HA 0.329 4.799 4.470 -0.000 0.000 0.272 741 S C 0.527 175.157 174.600 0.050 0.000 1.352 741 S CA -0.463 57.771 58.200 0.057 0.000 1.021 741 S CB 0.522 63.760 63.200 0.063 0.000 0.887 741 S HN 0.690 nan 8.310 nan 0.000 0.542 742 R N 0.769 121.324 120.500 0.091 0.000 2.459 742 R HA 0.370 4.709 4.340 -0.000 0.000 0.281 742 R C 0.845 177.179 176.300 0.057 0.000 1.050 742 R CA -0.052 56.059 56.100 0.019 0.000 1.055 742 R CB 0.776 31.122 30.300 0.077 0.000 1.045 742 R HN 0.826 nan 8.270 nan 0.000 0.495 743 S N -0.190 115.376 115.700 -0.224 0.000 2.761 743 S HA 0.024 4.493 4.470 -0.000 0.000 0.273 743 S C -0.047 174.355 174.600 -0.329 0.000 1.073 743 S CA -0.595 57.567 58.200 -0.063 0.000 1.048 743 S CB 0.212 63.409 63.200 -0.006 0.000 0.955 743 S HN 0.562 nan 8.310 nan 0.000 0.500 744 E N 1.534 121.392 120.200 -0.569 0.000 1.944 744 E HA 0.259 4.609 4.350 -0.000 0.000 0.272 744 E C -1.478 174.728 176.600 -0.657 0.000 1.195 744 E CA -0.059 56.067 56.400 -0.457 0.000 0.926 744 E CB -0.075 29.406 29.700 -0.364 0.000 1.051 744 E HN 0.492 nan 8.360 nan 0.000 0.404 745 F N 3.032 123.006 119.950 0.039 0.000 2.542 745 F HA 0.280 4.807 4.527 -0.000 0.000 0.323 745 F C -2.033 173.859 175.800 0.154 0.000 1.411 745 F CA -2.143 55.922 58.000 0.108 0.000 1.124 745 F CB 0.373 39.420 39.000 0.079 0.000 1.331 745 F HN 0.230 nan 8.300 nan 0.000 0.560 746 P HA 0.162 nan 4.420 nan 0.000 0.272 746 P C 0.545 178.111 177.300 0.443 0.000 1.223 746 P CA -0.127 63.136 63.100 0.272 0.000 0.784 746 P CB 1.055 32.854 31.700 0.165 0.000 0.923 747 E N -0.225 120.177 120.200 0.337 0.000 2.371 747 E HA 0.049 4.399 4.350 -0.000 0.000 0.194 747 E C -0.010 176.836 176.600 0.409 0.000 1.012 747 E CA 0.414 57.013 56.400 0.331 0.000 0.860 747 E CB 0.169 29.985 29.700 0.193 0.000 0.811 747 E HN 0.533 nan 8.360 nan 0.000 0.502 748 S N -0.091 115.852 115.700 0.405 0.000 2.542 748 S HA 0.510 4.979 4.470 -0.000 0.000 0.276 748 S C -1.153 173.678 174.600 0.386 0.000 1.148 748 S CA -1.203 57.208 58.200 0.351 0.000 0.886 748 S CB 1.193 64.501 63.200 0.180 0.000 1.109 748 S HN 0.334 nan 8.310 nan 0.000 0.458 749 W N 0.800 122.138 121.300 0.065 0.000 2.955 749 W HA 0.685 5.345 4.660 -0.000 0.000 0.428 749 W C -0.701 175.867 176.519 0.080 0.000 1.041 749 W CA -1.071 56.288 57.345 0.024 0.000 1.220 749 W CB -0.383 29.011 29.460 -0.110 0.000 1.459 749 W HN 1.287 nan 8.180 nan 0.000 0.618 750 L N 2.007 123.362 121.223 0.220 0.000 3.677 750 L HA -0.220 4.120 4.340 -0.000 0.000 0.464 750 L C -0.318 176.584 176.870 0.052 0.000 1.278 750 L CA 0.284 55.115 54.840 -0.016 0.000 0.806 750 L CB -1.235 40.472 42.059 -0.586 0.000 1.610 750 L HN 0.583 nan 8.230 nan 0.000 0.867 751 W N 3.933 125.224 121.300 -0.015 0.000 1.818 751 W HA 0.356 5.015 4.660 -0.000 0.000 0.334 751 W C 0.077 176.594 176.519 -0.003 0.000 0.753 751 W CA -0.501 56.834 57.345 -0.017 0.000 1.826 751 W CB 0.116 29.581 29.460 0.009 0.000 2.001 751 W HN 0.480 nan 8.180 nan 0.000 0.324 752 N N 0.504 119.143 118.700 -0.103 0.000 3.100 752 N HA 0.528 5.268 4.740 -0.000 0.000 0.344 752 N C -1.392 174.012 175.510 -0.177 0.000 1.413 752 N CA -0.746 52.252 53.050 -0.087 0.000 0.752 752 N CB 2.105 40.588 38.487 -0.006 0.000 1.519 752 N HN -0.243 nan 8.380 nan 0.000 0.620 753 V N 0.885 120.734 119.914 -0.108 0.000 2.789 753 V HA 0.399 4.519 4.120 -0.000 0.000 0.311 753 V C -0.883 175.167 176.094 -0.073 0.000 1.073 753 V CA -0.642 61.590 62.300 -0.112 0.000 0.921 753 V CB 2.206 33.971 31.823 -0.096 0.000 1.009 753 V HN 0.538 nan 8.190 nan 0.000 0.426 754 E N 1.900 122.054 120.200 -0.076 0.000 2.317 754 E HA 0.571 4.921 4.350 -0.000 0.000 0.270 754 E C -1.796 174.772 176.600 -0.053 0.000 0.885 754 E CA -0.752 55.614 56.400 -0.056 0.000 0.760 754 E CB 2.786 32.452 29.700 -0.057 0.000 1.227 754 E HN 0.618 nan 8.360 nan 0.000 0.434 755 D N 1.536 121.911 120.400 -0.041 0.000 2.505 755 D HA 0.351 4.990 4.640 -0.000 0.000 0.249 755 D C -0.283 175.997 176.300 -0.034 0.000 1.082 755 D CA -0.466 53.512 54.000 -0.037 0.000 0.839 755 D CB 1.531 42.313 40.800 -0.030 0.000 1.317 755 D HN 0.171 nan 8.370 nan 0.000 0.497 756 L N 2.719 123.920 121.223 -0.035 0.000 2.334 756 L HA 0.303 4.643 4.340 -0.000 0.000 0.286 756 L C 1.242 178.096 176.870 -0.027 0.000 1.108 756 L CA 0.012 54.833 54.840 -0.033 0.000 0.875 756 L CB 0.371 42.408 42.059 -0.036 0.000 1.246 756 L HN 0.202 nan 8.230 nan 0.000 0.439 757 K N 0.997 121.383 120.400 -0.023 0.000 2.402 757 K HA 0.156 4.476 4.320 -0.000 0.000 0.204 757 K C -0.031 176.558 176.600 -0.018 0.000 1.056 757 K CA -0.339 55.937 56.287 -0.019 0.000 1.069 757 K CB 0.780 33.270 32.500 -0.017 0.000 0.888 757 K HN 0.442 nan 8.250 nan 0.000 0.546 758 E N 2.012 122.200 120.200 -0.020 0.000 2.418 758 E HA 0.021 4.371 4.350 -0.000 0.000 0.261 758 E C -2.523 174.067 176.600 -0.017 0.000 1.070 758 E CA -1.680 54.709 56.400 -0.018 0.000 0.931 758 E CB -0.128 29.560 29.700 -0.021 0.000 0.954 758 E HN -0.117 nan 8.360 nan 0.000 0.439 759 P HA 0.022 nan 4.420 nan 0.000 0.256 759 P C -2.390 174.901 177.300 -0.015 0.000 1.189 759 P CA -0.606 62.486 63.100 -0.014 0.000 0.808 759 P CB -0.264 31.428 31.700 -0.012 0.000 0.793 760 P HA 0.163 nan 4.420 nan 0.000 0.271 760 P C -0.446 176.845 177.300 -0.015 0.000 1.226 760 P CA 0.215 63.305 63.100 -0.016 0.000 0.765 760 P CB 0.693 32.383 31.700 -0.016 0.000 0.835 761 K N 3.036 123.427 120.400 -0.016 0.000 2.426 761 K HA 0.276 4.596 4.320 -0.000 0.000 0.254 761 K C -0.216 176.376 176.600 -0.014 0.000 0.936 761 K CA -0.692 55.587 56.287 -0.014 0.000 0.801 761 K CB 1.244 33.735 32.500 -0.014 0.000 1.139 761 K HN 0.236 nan 8.250 nan 0.000 0.424 762 N N 1.375 120.067 118.700 -0.013 0.000 2.741 762 N HA -0.193 4.547 4.740 -0.000 0.000 0.251 762 N C 0.534 176.036 175.510 -0.014 0.000 1.112 762 N CA 1.525 54.568 53.050 -0.012 0.000 0.750 762 N CB -1.351 37.129 38.487 -0.012 0.000 1.119 762 N HN 1.124 nan 8.380 nan 0.000 0.561 763 G N -1.456 107.335 108.800 -0.014 0.000 2.143 763 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 763 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 763 G C -0.267 174.622 174.900 -0.018 0.000 0.991 763 G CA 0.414 45.505 45.100 -0.015 0.000 0.689 763 G HN 0.409 nan 8.290 nan 0.000 0.522 764 I N 1.396 121.955 120.570 -0.020 0.000 2.439 764 I HA 0.393 4.563 4.170 -0.000 0.000 0.283 764 I C 0.304 176.405 176.117 -0.026 0.000 1.023 764 I CA -0.763 60.523 61.300 -0.024 0.000 1.100 764 I CB 1.309 39.294 38.000 -0.024 0.000 1.238 764 I HN 0.027 nan 8.210 nan 0.000 0.445 765 S N 4.310 119.994 115.700 -0.028 0.000 2.585 765 S HA 0.667 5.137 4.470 -0.000 0.000 0.277 765 S C 0.217 174.795 174.600 -0.036 0.000 1.241 765 S CA -0.338 57.844 58.200 -0.030 0.000 1.041 765 S CB 1.449 64.631 63.200 -0.029 0.000 0.987 765 S HN 0.592 nan 8.310 nan 0.000 0.512 766 T N 2.744 117.276 114.554 -0.036 0.000 2.886 766 T HA 0.478 4.828 4.350 -0.000 0.000 0.292 766 T C -0.735 173.940 174.700 -0.042 0.000 1.012 766 T CA -0.770 61.304 62.100 -0.043 0.000 0.982 766 T CB 1.412 70.255 68.868 -0.042 0.000 1.018 766 T HN 0.509 nan 8.240 nan 0.000 0.451 767 K N 3.255 123.626 120.400 -0.049 0.000 2.397 767 K HA 0.584 4.904 4.320 -0.000 0.000 0.253 767 K C -1.300 175.269 176.600 -0.050 0.000 0.932 767 K CA -0.802 55.458 56.287 -0.045 0.000 0.795 767 K CB 1.039 33.512 32.500 -0.045 0.000 1.159 767 K HN 0.498 nan 8.250 nan 0.000 0.424 768 L N 6.033 127.232 121.223 -0.041 0.000 2.272 768 L HA 0.397 4.737 4.340 -0.000 0.000 0.284 768 L C -0.185 176.665 176.870 -0.034 0.000 1.045 768 L CA -0.537 54.278 54.840 -0.042 0.000 0.842 768 L CB 0.992 43.030 42.059 -0.035 0.000 1.224 768 L HN 0.598 nan 8.230 nan 0.000 0.430 769 M N 2.792 122.369 119.600 -0.038 0.000 2.314 769 M HA 0.243 4.723 4.480 -0.000 0.000 0.342 769 M C 0.039 176.323 176.300 -0.027 0.000 1.171 769 M CA 0.020 55.306 55.300 -0.024 0.000 1.098 769 M CB 1.364 33.951 32.600 -0.022 0.000 1.559 769 M HN 0.459 nan 8.290 nan 0.000 0.459 770 N N 3.730 122.418 118.700 -0.019 0.000 2.800 770 N HA 0.407 5.147 4.740 -0.000 0.000 0.240 770 N C -1.181 174.285 175.510 -0.072 0.000 1.096 770 N CA -0.349 52.658 53.050 -0.071 0.000 0.877 770 N CB 0.723 39.163 38.487 -0.079 0.000 1.138 770 N HN 0.618 nan 8.380 nan 0.000 0.509 771 I N -1.086 119.454 120.570 -0.051 0.000 2.797 771 I HA 0.548 4.718 4.170 -0.000 0.000 0.310 771 I C -1.026 175.032 176.117 -0.097 0.000 0.990 771 I CA -0.699 60.646 61.300 0.076 0.000 1.228 771 I CB 0.884 39.004 38.000 0.199 0.000 1.406 771 I HN 0.097 nan 8.210 nan 0.000 0.534 772 F N 3.852 123.819 119.950 0.027 0.000 2.347 772 F HA 0.501 5.028 4.527 -0.000 0.000 0.366 772 F C 0.084 175.741 175.800 -0.238 0.000 1.107 772 F CA -0.550 57.404 58.000 -0.077 0.000 1.058 772 F CB 1.166 40.102 39.000 -0.106 0.000 1.236 772 F HN 0.297 nan 8.300 nan 0.000 0.456 773 L N 4.412 125.594 121.223 -0.069 0.000 2.506 773 L HA 0.062 4.402 4.340 -0.000 0.000 0.281 773 L C 0.937 177.580 176.870 -0.378 0.000 1.228 773 L CA -0.281 54.424 54.840 -0.226 0.000 0.850 773 L CB 0.264 42.327 42.059 0.008 0.000 1.110 773 L HN 0.488 nan 8.230 nan 0.000 0.496 774 K N 1.545 121.553 120.400 -0.653 0.000 2.332 774 K HA 0.042 4.362 4.320 -0.000 0.000 0.246 774 K C 0.342 176.839 176.600 -0.171 0.000 1.066 774 K CA -0.217 55.769 56.287 -0.501 0.000 0.898 774 K CB 0.256 32.389 32.500 -0.611 0.000 1.192 774 K HN 0.461 nan 8.250 nan 0.000 0.509 775 D N -0.206 120.051 120.400 -0.239 0.000 2.360 775 D HA 0.028 4.667 4.640 -0.000 0.000 0.210 775 D C -0.169 176.132 176.300 0.001 0.000 1.047 775 D CA 0.356 54.219 54.000 -0.229 0.000 0.854 775 D CB 0.146 40.618 40.800 -0.545 0.000 0.936 775 D HN 0.159 nan 8.370 nan 0.000 0.514 776 S N 0.661 116.489 115.700 0.213 0.000 2.531 776 S HA 0.221 4.691 4.470 -0.000 0.000 0.279 776 S C 0.701 175.388 174.600 0.145 0.000 1.305 776 S CA -0.304 58.139 58.200 0.406 0.000 1.058 776 S CB 0.955 64.423 63.200 0.447 0.000 0.899 776 S HN 0.116 nan 8.310 nan 0.000 0.493 777 I N 3.631 124.190 120.570 -0.019 0.000 2.269 777 I HA 0.283 4.452 4.170 -0.000 0.000 0.293 777 I C 0.660 176.599 176.117 -0.295 0.000 1.106 777 I CA 0.113 61.274 61.300 -0.232 0.000 1.248 777 I CB 0.160 37.840 38.000 -0.533 0.000 1.444 777 I HN 0.611 nan 8.210 nan 0.000 0.497 778 T N 2.893 117.251 114.554 -0.327 0.000 2.661 778 T HA 0.275 4.625 4.350 -0.000 0.000 0.305 778 T C -0.997 173.451 174.700 -0.419 0.000 1.535 778 T CA -0.316 61.548 62.100 -0.393 0.000 1.000 778 T CB 1.706 70.286 68.868 -0.480 0.000 1.811 778 T HN 0.277 nan 8.240 nan 0.000 0.471 779 T N 2.186 116.499 114.554 -0.400 0.000 2.788 779 T HA 0.483 4.833 4.350 -0.000 0.000 0.296 779 T C -1.027 173.510 174.700 -0.272 0.000 1.009 779 T CA -0.198 61.738 62.100 -0.274 0.000 0.949 779 T CB 0.036 68.799 68.868 -0.175 0.000 0.946 779 T HN 0.410 nan 8.240 nan 0.000 0.453 780 W N 2.429 123.746 121.300 0.028 0.000 2.345 780 W HA 0.323 4.983 4.660 -0.000 0.000 0.308 780 W C 0.874 177.382 176.519 -0.019 0.000 1.273 780 W CA -0.698 56.682 57.345 0.059 0.000 1.243 780 W CB 0.434 29.996 29.460 0.170 0.000 1.260 780 W HN 0.592 nan 8.180 nan 0.000 0.509 781 E N 4.799 125.116 120.200 0.194 0.000 1.993 781 E HA 0.238 4.588 4.350 -0.000 0.000 0.271 781 E C -0.459 176.191 176.600 0.085 0.000 1.008 781 E CA -0.384 56.070 56.400 0.090 0.000 0.814 781 E CB 0.191 29.921 29.700 0.050 0.000 1.098 781 E HN 0.415 nan 8.360 nan 0.000 0.407 782 I N 4.719 125.340 120.570 0.084 0.000 2.441 782 I HA 0.109 4.279 4.170 -0.000 0.000 0.287 782 I C -0.210 175.932 176.117 0.042 0.000 1.049 782 I CA -0.468 60.849 61.300 0.028 0.000 1.381 782 I CB 0.619 38.649 38.000 0.050 0.000 1.409 782 I HN 0.436 nan 8.210 nan 0.000 0.523 783 L N 7.114 128.334 121.223 -0.005 0.000 2.362 783 L HA 0.783 5.122 4.340 -0.000 0.000 0.275 783 L C -0.414 176.427 176.870 -0.049 0.000 0.998 783 L CA -0.210 54.627 54.840 -0.005 0.000 0.820 783 L CB 1.453 43.517 42.059 0.009 0.000 1.270 783 L HN 0.679 nan 8.230 nan 0.000 0.415 784 A N 4.450 127.243 122.820 -0.046 0.000 2.355 784 A HA 0.880 5.200 4.320 -0.000 0.000 0.324 784 A C -1.443 176.099 177.584 -0.070 0.000 1.117 784 A CA -0.550 51.441 52.037 -0.076 0.000 0.785 784 A CB 1.722 20.678 19.000 -0.074 0.000 1.254 784 A HN 0.543 nan 8.150 nan 0.000 0.453 785 V N 2.224 122.084 119.914 -0.091 0.000 2.524 785 V HA 0.453 4.573 4.120 -0.000 0.000 0.297 785 V C 0.138 176.185 176.094 -0.079 0.000 1.035 785 V CA -0.420 61.833 62.300 -0.077 0.000 0.867 785 V CB 1.564 33.337 31.823 -0.084 0.000 1.004 785 V HN 1.105 nan 8.190 nan 0.000 0.426 786 S N 4.445 120.109 115.700 -0.060 0.000 2.585 786 S HA 0.838 5.308 4.470 -0.000 0.000 0.277 786 S C -0.458 174.114 174.600 -0.048 0.000 1.241 786 S CA -0.655 57.511 58.200 -0.056 0.000 1.041 786 S CB 1.802 64.973 63.200 -0.047 0.000 0.987 786 S HN 0.703 nan 8.310 nan 0.000 0.512 787 M N 3.135 122.707 119.600 -0.046 0.000 1.949 787 M HA 0.403 4.883 4.480 -0.000 0.000 0.234 787 M C -0.551 175.730 176.300 -0.032 0.000 0.855 787 M CA -0.158 55.119 55.300 -0.038 0.000 0.800 787 M CB 1.146 33.721 32.600 -0.041 0.000 1.697 787 M HN 0.761 nan 8.290 nan 0.000 0.357 788 S N 1.183 116.866 115.700 -0.028 0.000 2.499 788 S HA 0.317 4.787 4.470 -0.000 0.000 0.279 788 S C 0.916 175.504 174.600 -0.020 0.000 1.219 788 S CA -0.346 57.839 58.200 -0.025 0.000 1.062 788 S CB 0.630 63.816 63.200 -0.023 0.000 0.978 788 S HN 0.740 nan 8.310 nan 0.000 0.489 789 D N 4.624 125.012 120.400 -0.019 0.000 2.264 789 D HA -0.079 4.560 4.640 -0.000 0.000 0.208 789 D C 1.129 177.420 176.300 -0.014 0.000 0.966 789 D CA 1.206 55.197 54.000 -0.016 0.000 0.864 789 D CB 0.097 40.888 40.800 -0.015 0.000 0.933 789 D HN 0.554 nan 8.370 nan 0.000 0.499 790 K N 0.005 120.396 120.400 -0.015 0.000 2.159 790 K HA 0.077 4.397 4.320 -0.000 0.000 0.210 790 K C 2.084 178.677 176.600 -0.013 0.000 1.026 790 K CA 0.017 56.296 56.287 -0.013 0.000 0.959 790 K CB 0.179 32.671 32.500 -0.013 0.000 0.890 790 K HN -0.148 nan 8.250 nan 0.000 0.459 791 K N 0.443 120.834 120.400 -0.015 0.000 1.965 791 K HA -0.008 4.311 4.320 -0.000 0.000 0.214 791 K C 1.406 177.998 176.600 -0.014 0.000 1.046 791 K CA 1.712 57.990 56.287 -0.014 0.000 0.944 791 K CB -0.416 32.074 32.500 -0.016 0.000 0.726 791 K HN 0.459 nan 8.250 nan 0.000 0.441 792 G N 0.178 108.969 108.800 -0.016 0.000 2.291 792 G HA2 -0.013 3.946 3.960 -0.000 0.000 0.249 792 G HA3 -0.013 3.946 3.960 -0.000 0.000 0.249 792 G C -1.392 173.497 174.900 -0.019 0.000 1.340 792 G CA -0.353 44.738 45.100 -0.016 0.000 1.017 792 G HN 0.226 nan 8.290 nan 0.000 0.470 793 I N 0.036 120.596 120.570 -0.017 0.000 2.440 793 I HA 0.674 4.843 4.170 -0.000 0.000 0.294 793 I C -0.418 175.687 176.117 -0.019 0.000 0.995 793 I CA -0.713 60.575 61.300 -0.020 0.000 1.306 793 I CB 1.245 39.235 38.000 -0.017 0.000 1.407 793 I HN 0.937 nan 8.210 nan 0.000 0.501 794 C N 8.109 127.395 119.300 -0.023 0.000 2.947 794 C HA 0.442 4.902 4.460 -0.000 0.000 0.401 794 C C -0.888 174.088 174.990 -0.024 0.000 1.019 794 C CA -0.599 58.407 59.018 -0.020 0.000 1.230 794 C CB 0.337 28.065 27.740 -0.020 0.000 1.644 794 C HN 0.664 nan 8.230 nan 0.000 0.523 795 V N 4.393 124.296 119.914 -0.019 0.000 2.465 795 V HA 0.868 4.988 4.120 -0.000 0.000 0.279 795 V C 0.703 176.788 176.094 -0.014 0.000 1.045 795 V CA 0.285 62.574 62.300 -0.019 0.000 0.938 795 V CB 0.879 32.695 31.823 -0.012 0.000 0.986 795 V HN 1.418 nan 8.190 nan 0.000 0.467 796 A N 3.484 126.293 122.820 -0.018 0.000 2.296 796 A HA 0.511 4.830 4.320 -0.000 0.000 0.264 796 A C 0.079 177.668 177.584 0.008 0.000 1.097 796 A CA -0.474 51.557 52.037 -0.010 0.000 0.811 796 A CB 0.019 19.006 19.000 -0.022 0.000 1.072 796 A HN 0.936 nan 8.150 nan 0.000 0.495 797 D N 0.974 121.386 120.400 0.021 0.000 2.345 797 D HA 0.416 5.056 4.640 -0.000 0.000 0.247 797 D C -2.307 174.034 176.300 0.069 0.000 1.108 797 D CA -0.797 53.227 54.000 0.039 0.000 0.894 797 D CB 0.072 40.898 40.800 0.043 0.000 1.203 797 D HN 0.174 nan 8.370 nan 0.000 0.430 798 P HA 0.025 nan 4.420 nan 0.000 0.262 798 P C -0.672 176.707 177.300 0.131 0.000 1.199 798 P CA -0.031 63.116 63.100 0.078 0.000 0.763 798 P CB -0.015 31.710 31.700 0.042 0.000 0.790 799 F N 3.698 123.647 119.950 -0.002 0.000 2.332 799 F HA 0.250 4.777 4.527 -0.000 0.000 0.368 799 F C 0.397 176.211 175.800 0.023 0.000 1.110 799 F CA -0.774 57.229 58.000 0.004 0.000 1.087 799 F CB 0.671 39.669 39.000 -0.005 0.000 1.235 799 F HN 0.245 nan 8.300 nan 0.000 0.470 800 E N 4.036 123.956 120.200 -0.468 0.000 2.343 800 E HA 0.445 4.795 4.350 -0.000 0.000 0.269 800 E C -1.077 175.190 176.600 -0.555 0.000 1.047 800 E CA -0.621 55.560 56.400 -0.364 0.000 0.874 800 E CB 1.994 31.559 29.700 -0.225 0.000 1.033 800 E HN 0.368 nan 8.360 nan 0.000 0.409 801 V N 2.938 122.721 119.914 -0.218 0.000 2.462 801 V HA 0.122 4.241 4.120 -0.000 0.000 0.288 801 V C -0.337 175.754 176.094 -0.004 0.000 1.020 801 V CA -0.773 61.465 62.300 -0.103 0.000 0.857 801 V CB 1.706 33.589 31.823 0.101 0.000 1.013 801 V HN 0.680 nan 8.190 nan 0.000 0.431 802 T N 4.556 119.073 114.554 -0.062 0.000 2.814 802 T HA 0.409 4.758 4.350 -0.000 0.000 0.297 802 T C -0.023 174.662 174.700 -0.025 0.000 0.956 802 T CA -0.029 62.028 62.100 -0.071 0.000 1.123 802 T CB 1.083 69.893 68.868 -0.096 0.000 0.902 802 T HN 0.353 nan 8.240 nan 0.000 0.528 803 V N 5.709 125.598 119.914 -0.041 0.000 2.325 803 V HA 0.486 4.606 4.120 -0.000 0.000 0.280 803 V C -0.149 175.878 176.094 -0.113 0.000 1.016 803 V CA -0.640 61.655 62.300 -0.009 0.000 0.818 803 V CB 1.118 33.012 31.823 0.118 0.000 1.019 803 V HN 0.852 nan 8.190 nan 0.000 0.434 804 M N 3.601 123.130 119.600 -0.117 0.000 2.690 804 M HA 0.637 5.117 4.480 -0.000 0.000 0.302 804 M C -1.279 174.958 176.300 -0.105 0.000 1.234 804 M CA -0.537 54.644 55.300 -0.197 0.000 0.853 804 M CB 2.880 35.355 32.600 -0.208 0.000 1.748 804 M HN 0.696 nan 8.290 nan 0.000 0.469 805 Q N 0.846 120.591 119.800 -0.091 0.000 2.359 805 Q HA 0.242 4.581 4.340 -0.000 0.000 0.274 805 Q C -0.706 175.484 176.000 0.316 0.000 1.074 805 Q CA -0.686 55.181 55.803 0.106 0.000 0.810 805 Q CB 2.044 30.853 28.738 0.118 0.000 1.342 805 Q HN 0.786 nan 8.270 nan 0.000 0.427 806 D N 1.674 122.252 120.400 0.296 0.000 2.103 806 D HA -0.121 4.519 4.640 -0.000 0.000 0.190 806 D C -0.035 176.555 176.300 0.483 0.000 0.997 806 D CA 1.661 55.872 54.000 0.352 0.000 0.833 806 D CB 0.042 40.997 40.800 0.259 0.000 0.961 806 D HN 0.361 nan 8.370 nan 0.000 0.447 807 F N 0.420 120.543 119.950 0.288 0.000 2.493 807 F HA 0.454 4.981 4.527 -0.000 0.000 0.329 807 F C -1.202 174.795 175.800 0.328 0.000 1.126 807 F CA -1.133 56.996 58.000 0.214 0.000 0.937 807 F CB 1.022 40.081 39.000 0.099 0.000 1.146 807 F HN -0.118 nan 8.300 nan 0.000 0.442 808 F N 4.712 124.312 119.950 -0.584 0.000 2.741 808 F HA 0.732 5.258 4.527 -0.000 0.000 0.313 808 F C -2.105 173.453 175.800 -0.404 0.000 1.153 808 F CA -1.709 56.048 58.000 -0.405 0.000 0.931 808 F CB 1.003 39.959 39.000 -0.073 0.000 1.335 808 F HN 0.243 nan 8.300 nan 0.000 0.460 809 I N 1.527 122.078 120.570 -0.031 0.000 2.404 809 I HA 0.308 4.478 4.170 -0.000 0.000 0.293 809 I C -1.175 175.059 176.117 0.196 0.000 0.992 809 I CA -0.500 60.781 61.300 -0.031 0.000 1.149 809 I CB 1.662 39.649 38.000 -0.022 0.000 1.315 809 I HN 0.565 nan 8.210 nan 0.000 0.446 810 D N 6.680 127.193 120.400 0.188 0.000 2.479 810 D HA 0.240 4.879 4.640 -0.000 0.000 0.247 810 D C -0.982 175.371 176.300 0.088 0.000 1.119 810 D CA -0.505 53.631 54.000 0.227 0.000 0.922 810 D CB 0.755 41.828 40.800 0.456 0.000 1.014 810 D HN 0.188 nan 8.370 nan 0.000 0.510 811 L N 4.047 125.275 121.223 0.009 0.000 2.325 811 L HA 0.384 4.724 4.340 -0.000 0.000 0.284 811 L C -0.252 176.589 176.870 -0.049 0.000 1.089 811 L CA 0.069 54.893 54.840 -0.026 0.000 0.836 811 L CB 0.221 42.243 42.059 -0.061 0.000 1.184 811 L HN 0.205 nan 8.230 nan 0.000 0.444 812 R N 5.502 125.993 120.500 -0.015 0.000 2.310 812 R HA 0.590 4.930 4.340 -0.000 0.000 0.324 812 R C -1.348 174.945 176.300 -0.013 0.000 0.955 812 R CA -0.889 55.201 56.100 -0.015 0.000 0.830 812 R CB 1.285 31.593 30.300 0.013 0.000 1.154 812 R HN 0.401 nan 8.270 nan 0.000 0.458 813 L N 3.837 125.047 121.223 -0.022 0.000 2.346 813 L HA 0.523 4.863 4.340 -0.000 0.000 0.274 813 L C -1.892 174.985 176.870 0.013 0.000 1.007 813 L CA -2.047 52.785 54.840 -0.012 0.000 0.818 813 L CB 0.983 43.023 42.059 -0.032 0.000 1.284 813 L HN 0.431 nan 8.230 nan 0.000 0.424 814 P HA 0.012 nan 4.420 nan 0.000 0.271 814 P C 0.266 177.619 177.300 0.087 0.000 1.233 814 P CA -0.151 62.986 63.100 0.061 0.000 0.789 814 P CB 0.368 32.103 31.700 0.058 0.000 0.951 815 Y N 0.680 120.986 120.300 0.009 0.000 2.181 815 Y HA -0.114 4.436 4.550 -0.000 0.000 0.288 815 Y C 0.603 176.519 175.900 0.026 0.000 1.146 815 Y CA 1.821 59.931 58.100 0.016 0.000 1.164 815 Y CB 0.176 38.643 38.460 0.013 0.000 0.982 815 Y HN 0.405 nan 8.280 nan 0.000 0.515 816 S N -0.380 115.382 115.700 0.104 0.000 2.535 816 S HA 0.590 5.060 4.470 -0.000 0.000 0.272 816 S C -1.254 173.389 174.600 0.072 0.000 1.149 816 S CA -0.444 57.775 58.200 0.032 0.000 0.888 816 S CB 1.409 64.663 63.200 0.091 0.000 1.110 816 S HN 0.561 nan 8.310 nan 0.000 0.463 817 V N -0.199 119.747 119.914 0.053 0.000 2.680 817 V HA 0.847 4.967 4.120 -0.000 0.000 0.309 817 V C -0.133 175.990 176.094 0.049 0.000 1.052 817 V CA -0.970 61.369 62.300 0.066 0.000 0.908 817 V CB 1.269 33.145 31.823 0.087 0.000 1.001 817 V HN 0.846 nan 8.190 nan 0.000 0.431 818 V N 4.089 124.033 119.914 0.050 0.000 2.637 818 V HA 0.279 4.399 4.120 -0.000 0.000 0.296 818 V C 0.944 177.049 176.094 0.018 0.000 1.046 818 V CA -0.177 62.142 62.300 0.031 0.000 1.066 818 V CB 0.806 32.652 31.823 0.038 0.000 0.968 818 V HN 1.088 nan 8.190 nan 0.000 0.483 819 R N 4.478 124.972 120.500 -0.010 0.000 2.643 819 R HA 0.054 4.394 4.340 -0.000 0.000 0.270 819 R C 0.796 177.091 176.300 -0.008 0.000 1.061 819 R CA 0.269 56.353 56.100 -0.026 0.000 1.107 819 R CB 0.046 30.314 30.300 -0.054 0.000 0.999 819 R HN 0.878 nan 8.270 nan 0.000 0.460 820 N N 0.473 119.168 118.700 -0.008 0.000 2.936 820 N HA -0.187 4.553 4.740 -0.000 0.000 0.236 820 N C -1.368 174.148 175.510 0.011 0.000 0.930 820 N CA 1.687 54.739 53.050 0.003 0.000 0.966 820 N CB -0.821 37.672 38.487 0.011 0.000 1.090 820 N HN 0.721 nan 8.380 nan 0.000 0.592 821 E N 0.804 121.017 120.200 0.021 0.000 2.156 821 E HA 0.178 4.527 4.350 -0.000 0.000 0.279 821 E C 0.081 176.699 176.600 0.029 0.000 0.965 821 E CA -0.401 56.020 56.400 0.035 0.000 0.789 821 E CB 1.323 31.058 29.700 0.057 0.000 1.098 821 E HN 0.140 nan 8.360 nan 0.000 0.397 822 Q N 3.535 123.325 119.800 -0.017 0.000 2.296 822 Q HA 0.187 4.527 4.340 -0.000 0.000 0.263 822 Q C -0.379 175.645 176.000 0.039 0.000 1.026 822 Q CA -0.388 55.346 55.803 -0.114 0.000 0.912 822 Q CB 0.507 29.003 28.738 -0.405 0.000 1.198 822 Q HN 0.453 nan 8.270 nan 0.000 0.407 823 V N 0.815 120.791 119.914 0.104 0.000 3.240 823 V HA 0.667 4.787 4.120 -0.000 0.000 0.306 823 V C -0.838 175.409 176.094 0.255 0.000 1.227 823 V CA -0.883 61.562 62.300 0.243 0.000 1.047 823 V CB 1.886 33.798 31.823 0.149 0.000 1.203 823 V HN 0.857 nan 8.190 nan 0.000 0.471 824 E N 0.832 121.166 120.200 0.223 0.000 2.302 824 E HA 0.498 4.848 4.350 -0.000 0.000 0.263 824 E C -1.069 175.596 176.600 0.109 0.000 0.897 824 E CA -0.735 55.775 56.400 0.184 0.000 0.809 824 E CB 1.744 31.576 29.700 0.219 0.000 1.270 824 E HN 0.884 nan 8.360 nan 0.000 0.410 825 I N 1.151 121.780 120.570 0.097 0.000 2.499 825 I HA 0.580 4.749 4.170 -0.000 0.000 0.296 825 I C -0.403 175.781 176.117 0.113 0.000 0.992 825 I CA -0.964 60.379 61.300 0.071 0.000 1.297 825 I CB 1.072 39.080 38.000 0.013 0.000 1.410 825 I HN 0.222 nan 8.210 nan 0.000 0.507 826 R N 4.975 125.523 120.500 0.079 0.000 2.310 826 R HA 0.601 4.941 4.340 -0.000 0.000 0.324 826 R C -0.857 175.490 176.300 0.079 0.000 0.955 826 R CA -0.808 55.340 56.100 0.079 0.000 0.830 826 R CB 1.584 31.909 30.300 0.041 0.000 1.154 826 R HN 0.856 nan 8.270 nan 0.000 0.458 827 A N 3.655 126.551 122.820 0.126 0.000 2.322 827 A HA 0.423 4.743 4.320 -0.000 0.000 0.327 827 A C -0.091 177.506 177.584 0.022 0.000 1.394 827 A CA -0.628 51.467 52.037 0.097 0.000 0.921 827 A CB 0.628 19.738 19.000 0.184 0.000 1.153 827 A HN 0.408 nan 8.150 nan 0.000 0.523 828 V N 4.034 123.924 119.914 -0.039 0.000 2.406 828 V HA 0.224 4.344 4.120 -0.000 0.000 0.272 828 V C -0.390 175.529 176.094 -0.292 0.000 1.043 828 V CA -0.244 61.938 62.300 -0.197 0.000 0.915 828 V CB 0.877 32.535 31.823 -0.276 0.000 0.988 828 V HN 0.685 nan 8.190 nan 0.000 0.466 829 L N 6.638 127.658 121.223 -0.339 0.000 2.255 829 L HA 0.452 4.792 4.340 -0.000 0.000 0.289 829 L C -0.400 176.148 176.870 -0.537 0.000 1.046 829 L CA 0.017 54.631 54.840 -0.377 0.000 0.816 829 L CB 0.354 42.324 42.059 -0.150 0.000 1.197 829 L HN 0.460 nan 8.230 nan 0.000 0.427 830 Y N 2.089 121.976 120.300 -0.689 0.000 2.310 830 Y HA 0.394 4.944 4.550 -0.000 0.000 0.326 830 Y C 0.716 176.320 175.900 -0.493 0.000 1.151 830 Y CA -0.226 57.453 58.100 -0.701 0.000 1.195 830 Y CB 1.101 38.954 38.460 -1.011 0.000 1.210 830 Y HN 0.525 nan 8.280 nan 0.000 0.483 831 N N 2.188 120.763 118.700 -0.209 0.000 2.664 831 N HA 0.145 4.885 4.740 -0.000 0.000 0.257 831 N C -1.384 174.077 175.510 -0.081 0.000 1.108 831 N CA -0.531 52.519 53.050 -0.000 0.000 0.822 831 N CB 0.004 38.526 38.487 0.059 0.000 1.199 831 N HN 0.509 nan 8.380 nan 0.000 0.529 832 Y N 1.006 121.401 120.300 0.157 0.000 2.495 832 Y HA 0.303 4.853 4.550 -0.000 0.000 0.293 832 Y C 0.653 176.622 175.900 0.115 0.000 1.186 832 Y CA -0.245 57.940 58.100 0.142 0.000 1.266 832 Y CB 0.108 38.668 38.460 0.166 0.000 1.101 832 Y HN 0.154 nan 8.280 nan 0.000 0.517 833 R N 0.844 121.461 120.500 0.195 0.000 2.449 833 R HA -0.040 4.300 4.340 -0.000 0.000 0.296 833 R C 1.334 177.698 176.300 0.106 0.000 1.047 833 R CA -0.098 56.083 56.100 0.134 0.000 1.018 833 R CB 0.714 31.063 30.300 0.081 0.000 0.962 833 R HN 0.263 nan 8.270 nan 0.000 0.428 834 Q N 3.009 122.870 119.800 0.101 0.000 1.998 834 Q HA -0.243 4.097 4.340 -0.000 0.000 0.209 834 Q C -0.335 175.702 176.000 0.062 0.000 1.002 834 Q CA 2.259 58.113 55.803 0.084 0.000 0.858 834 Q CB 0.037 28.819 28.738 0.072 0.000 0.932 834 Q HN 0.753 nan 8.270 nan 0.000 0.416 835 N N -0.468 118.262 118.700 0.050 0.000 2.750 835 N HA 0.332 5.072 4.740 -0.000 0.000 0.253 835 N C -1.790 173.738 175.510 0.030 0.000 1.408 835 N CA -0.535 52.537 53.050 0.037 0.000 0.780 835 N CB 1.332 39.840 38.487 0.034 0.000 1.191 835 N HN 0.063 nan 8.380 nan 0.000 0.511 836 Q N 0.833 120.646 119.800 0.021 0.000 2.487 836 Q HA 0.134 4.474 4.340 -0.000 0.000 0.234 836 Q C -1.474 174.518 176.000 -0.013 0.000 0.828 836 Q CA -0.442 55.365 55.803 0.007 0.000 0.907 836 Q CB 0.906 29.644 28.738 -0.000 0.000 1.462 836 Q HN 0.549 nan 8.270 nan 0.000 0.442 837 E N 3.795 123.988 120.200 -0.010 0.000 2.404 837 E HA 0.440 4.789 4.350 -0.000 0.000 0.261 837 E C -0.750 175.828 176.600 -0.036 0.000 1.074 837 E CA -0.391 55.998 56.400 -0.019 0.000 0.917 837 E CB 1.047 30.739 29.700 -0.014 0.000 0.965 837 E HN 0.533 nan 8.360 nan 0.000 0.433 838 L N 1.956 123.152 121.223 -0.045 0.000 2.385 838 L HA 0.381 4.721 4.340 -0.000 0.000 0.273 838 L C -0.126 176.729 176.870 -0.025 0.000 0.990 838 L CA -0.982 53.813 54.840 -0.076 0.000 0.821 838 L CB 1.929 43.882 42.059 -0.177 0.000 1.279 838 L HN 0.611 nan 8.230 nan 0.000 0.412 839 K N 3.219 123.643 120.400 0.041 0.000 2.257 839 K HA 0.468 4.788 4.320 -0.000 0.000 0.270 839 K C -1.105 175.602 176.600 0.178 0.000 1.098 839 K CA -0.384 55.949 56.287 0.076 0.000 0.943 839 K CB 0.721 33.256 32.500 0.059 0.000 1.316 839 K HN 0.377 nan 8.250 nan 0.000 0.447 840 V N 3.787 123.755 119.914 0.090 0.000 2.612 840 V HA 0.399 4.519 4.120 -0.000 0.000 0.301 840 V C 0.133 176.322 176.094 0.157 0.000 1.046 840 V CA -0.880 61.476 62.300 0.093 0.000 0.946 840 V CB 1.549 33.420 31.823 0.080 0.000 1.003 840 V HN 0.673 nan 8.190 nan 0.000 0.459 841 R N 2.564 123.156 120.500 0.153 0.000 2.494 841 R HA 0.501 4.841 4.340 -0.000 0.000 0.284 841 R C -0.977 175.383 176.300 0.100 0.000 1.525 841 R CA -0.265 55.919 56.100 0.140 0.000 1.460 841 R CB 1.359 31.768 30.300 0.181 0.000 1.134 841 R HN 0.626 nan 8.270 nan 0.000 0.592 842 V N 2.255 122.237 119.914 0.114 0.000 2.811 842 V HA 0.249 4.369 4.120 -0.000 0.000 0.302 842 V C -0.321 175.856 176.094 0.138 0.000 1.063 842 V CA 0.350 62.733 62.300 0.138 0.000 1.088 842 V CB 1.452 33.380 31.823 0.175 0.000 0.982 842 V HN 0.799 nan 8.190 nan 0.000 0.485 843 E N 4.315 124.591 120.200 0.128 0.000 2.356 843 E HA 0.468 4.818 4.350 -0.000 0.000 0.275 843 E C -2.020 174.611 176.600 0.052 0.000 0.904 843 E CA -0.993 55.477 56.400 0.118 0.000 0.757 843 E CB 2.015 31.761 29.700 0.076 0.000 1.232 843 E HN 0.644 nan 8.360 nan 0.000 0.442 844 L N 4.776 126.028 121.223 0.049 0.000 2.280 844 L HA 0.373 4.713 4.340 -0.000 0.000 0.287 844 L C -1.423 175.436 176.870 -0.019 0.000 1.023 844 L CA -0.488 54.270 54.840 -0.135 0.000 0.819 844 L CB 0.778 42.619 42.059 -0.363 0.000 1.212 844 L HN 0.548 nan 8.230 nan 0.000 0.420 845 L N 4.473 125.676 121.223 -0.034 0.000 2.483 845 L HA 0.177 4.517 4.340 -0.000 0.000 0.275 845 L C 0.318 177.220 176.870 0.053 0.000 1.220 845 L CA 0.351 55.210 54.840 0.030 0.000 0.833 845 L CB -0.102 41.970 42.059 0.022 0.000 1.102 845 L HN 0.661 nan 8.230 nan 0.000 0.490 846 H N 2.359 121.444 119.070 0.025 0.000 2.690 846 H HA 0.379 4.934 4.556 -0.000 0.000 0.365 846 H C -0.416 174.950 175.328 0.063 0.000 1.142 846 H CA 0.109 56.183 56.048 0.043 0.000 1.417 846 H CB 0.561 30.352 29.762 0.049 0.000 1.446 846 H HN 0.579 nan 8.280 nan 0.000 0.599 847 N N 4.051 122.340 118.700 -0.684 0.000 2.578 847 N HA 0.174 4.914 4.740 -0.000 0.000 0.282 847 N C -2.478 172.796 175.510 -0.394 0.000 1.119 847 N CA -1.851 51.004 53.050 -0.325 0.000 0.948 847 N CB 1.753 40.281 38.487 0.068 0.000 1.546 847 N HN 0.346 nan 8.380 nan 0.000 0.525 848 P HA -0.051 nan 4.420 nan 0.000 0.220 848 P C 0.755 177.995 177.300 -0.100 0.000 1.144 848 P CA 1.066 64.123 63.100 -0.073 0.000 0.800 848 P CB 0.308 32.033 31.700 0.043 0.000 0.772 849 A N -2.596 120.130 122.820 -0.156 0.000 2.119 849 A HA 0.048 4.368 4.320 -0.000 0.000 0.217 849 A C 0.676 177.901 177.584 -0.598 0.000 1.153 849 A CA 0.894 52.714 52.037 -0.361 0.000 0.692 849 A CB -0.729 18.002 19.000 -0.448 0.000 0.799 849 A HN 0.088 nan 8.150 nan 0.000 0.458 850 F N -3.197 116.684 119.950 -0.114 0.000 2.618 850 F HA 0.536 5.063 4.527 -0.000 0.000 0.332 850 F C 0.071 175.807 175.800 -0.106 0.000 1.061 850 F CA -1.174 56.765 58.000 -0.103 0.000 0.974 850 F CB 1.506 40.439 39.000 -0.112 0.000 1.310 850 F HN -0.158 nan 8.300 nan 0.000 0.491 851 c N 2.665 121.344 118.600 0.131 0.000 2.647 851 c HA 0.709 5.279 4.570 -0.000 0.000 0.273 851 c C -0.161 173.935 174.090 0.011 0.000 1.088 851 c CA -0.344 56.012 56.329 0.045 0.000 1.529 851 c CB -1.646 40.872 42.510 0.014 0.000 1.810 851 c HN 0.815 nan 8.230 nan 0.000 0.422 852 S N 4.120 119.819 115.700 -0.001 0.000 2.753 852 S HA 0.592 5.062 4.470 -0.000 0.000 0.302 852 S C 0.593 175.157 174.600 -0.060 0.000 1.104 852 S CA -0.752 57.409 58.200 -0.065 0.000 0.968 852 S CB 0.686 63.827 63.200 -0.099 0.000 1.278 852 S HN 0.587 nan 8.310 nan 0.000 0.549 853 L N 0.486 121.616 121.223 -0.154 0.000 2.599 853 L HA 0.319 4.659 4.340 -0.000 0.000 0.230 853 L C 0.893 177.807 176.870 0.073 0.000 1.141 853 L CA 0.124 54.930 54.840 -0.057 0.000 0.877 853 L CB -0.668 41.352 42.059 -0.065 0.000 1.009 853 L HN 0.722 nan 8.230 nan 0.000 0.447 854 A N 0.319 123.197 122.820 0.096 0.000 2.258 854 A HA 0.562 4.882 4.320 -0.000 0.000 0.316 854 A C 0.451 178.200 177.584 0.275 0.000 1.279 854 A CA -0.386 51.765 52.037 0.191 0.000 0.876 854 A CB 0.387 19.513 19.000 0.210 0.000 1.170 854 A HN 0.235 nan 8.150 nan 0.000 0.520 855 T N -1.255 113.388 114.554 0.150 0.000 2.855 855 T HA 0.461 4.811 4.350 -0.000 0.000 0.275 855 T C 1.252 175.715 174.700 -0.396 0.000 1.022 855 T CA 0.446 62.538 62.100 -0.014 0.000 0.977 855 T CB 0.309 69.159 68.868 -0.029 0.000 1.559 855 T HN 0.833 nan 8.240 nan 0.000 0.600 856 T N -2.384 111.837 114.554 -0.555 0.000 3.113 856 T HA 0.257 4.607 4.350 -0.000 0.000 0.256 856 T C 1.119 175.722 174.700 -0.161 0.000 1.131 856 T CA 0.168 62.007 62.100 -0.434 0.000 1.074 856 T CB -0.283 68.389 68.868 -0.326 0.000 0.944 856 T HN 0.652 nan 8.240 nan 0.000 0.516 857 K N -0.450 119.888 120.400 -0.103 0.000 2.491 857 K HA 0.300 4.619 4.320 -0.000 0.000 0.211 857 K C 0.691 177.285 176.600 -0.011 0.000 1.210 857 K CA -0.356 55.908 56.287 -0.039 0.000 1.003 857 K CB 1.136 33.621 32.500 -0.024 0.000 1.009 857 K HN 0.141 nan 8.250 nan 0.000 0.577 858 R N 1.363 121.861 120.500 -0.003 0.000 2.664 858 R HA 0.364 4.704 4.340 -0.000 0.000 0.286 858 R C -1.041 175.299 176.300 0.067 0.000 0.967 858 R CA -0.580 55.541 56.100 0.035 0.000 0.933 858 R CB 1.223 31.551 30.300 0.046 0.000 1.146 858 R HN -0.091 nan 8.270 nan 0.000 0.468 859 R N 2.618 123.166 120.500 0.081 0.000 2.310 859 R HA 0.141 4.480 4.340 -0.000 0.000 0.316 859 R C -0.674 175.708 176.300 0.136 0.000 1.004 859 R CA -0.635 55.528 56.100 0.104 0.000 0.900 859 R CB 1.041 31.383 30.300 0.071 0.000 1.152 859 R HN 0.543 nan 8.270 nan 0.000 0.513 860 H N 5.400 124.527 119.070 0.094 0.000 3.232 860 H HA 0.021 4.577 4.556 -0.000 0.000 0.254 860 H C -0.847 174.569 175.328 0.146 0.000 1.213 860 H CA 0.458 56.577 56.048 0.118 0.000 1.503 860 H CB 0.473 30.320 29.762 0.142 0.000 1.563 860 H HN 0.622 nan 8.280 nan 0.000 0.490 861 Q N 3.709 123.411 119.800 -0.164 0.000 2.379 861 Q HA 0.422 4.762 4.340 -0.000 0.000 0.278 861 Q C -1.505 174.408 176.000 -0.144 0.000 1.068 861 Q CA -1.268 54.480 55.803 -0.091 0.000 0.816 861 Q CB 2.157 30.905 28.738 0.017 0.000 1.387 861 Q HN 0.389 nan 8.270 nan 0.000 0.413 862 Q N 0.426 120.163 119.800 -0.105 0.000 2.359 862 Q HA 0.627 4.967 4.340 -0.000 0.000 0.275 862 Q C -1.118 174.842 176.000 -0.067 0.000 1.082 862 Q CA -0.543 55.186 55.803 -0.125 0.000 0.849 862 Q CB 2.535 31.180 28.738 -0.155 0.000 1.377 862 Q HN 0.671 nan 8.270 nan 0.000 0.452 863 T N 1.015 115.494 114.554 -0.125 0.000 2.934 863 T HA 0.566 4.916 4.350 -0.000 0.000 0.328 863 T C -0.724 173.899 174.700 -0.128 0.000 1.068 863 T CA -0.594 61.458 62.100 -0.080 0.000 1.018 863 T CB 0.187 69.005 68.868 -0.082 0.000 1.009 863 T HN 0.454 nan 8.240 nan 0.000 0.471 864 V N 0.814 120.691 119.914 -0.062 0.000 3.103 864 V HA 0.892 5.012 4.120 -0.000 0.000 0.318 864 V C -0.297 175.775 176.094 -0.037 0.000 1.114 864 V CA -0.873 61.390 62.300 -0.062 0.000 1.020 864 V CB 2.145 33.941 31.823 -0.045 0.000 1.085 864 V HN 0.593 nan 8.190 nan 0.000 0.446 865 T N 3.252 117.779 114.554 -0.044 0.000 2.833 865 T HA 0.590 4.940 4.350 -0.000 0.000 0.297 865 T C -0.234 174.445 174.700 -0.034 0.000 1.015 865 T CA -0.006 62.074 62.100 -0.035 0.000 0.963 865 T CB 0.424 69.266 68.868 -0.043 0.000 0.955 865 T HN 0.603 nan 8.240 nan 0.000 0.449 866 I N 5.671 126.230 120.570 -0.018 0.000 2.352 866 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 866 I C -2.082 174.019 176.117 -0.027 0.000 1.036 866 I CA -2.414 58.873 61.300 -0.022 0.000 1.336 866 I CB 0.921 38.928 38.000 0.011 0.000 1.407 866 I HN 0.255 nan 8.210 nan 0.000 0.497 867 P HA 0.113 nan 4.420 nan 0.000 0.270 867 P C -2.487 174.800 177.300 -0.021 0.000 1.223 867 P CA -1.022 62.059 63.100 -0.032 0.000 0.785 867 P CB -0.224 31.450 31.700 -0.044 0.000 0.923 868 P HA 0.029 nan 4.420 nan 0.000 0.268 868 P C -0.490 176.815 177.300 0.009 0.000 1.204 868 P CA 0.270 63.374 63.100 0.007 0.000 0.768 868 P CB 0.039 31.749 31.700 0.016 0.000 0.842 869 K N -0.076 120.329 120.400 0.009 0.000 3.257 869 K HA -0.108 4.211 4.320 -0.000 0.000 0.270 869 K C -0.043 176.536 176.600 -0.036 0.000 0.984 869 K CA 0.735 57.023 56.287 0.002 0.000 0.739 869 K CB -2.010 30.528 32.500 0.063 0.000 1.351 869 K HN 0.772 nan 8.250 nan 0.000 0.463 870 S N -1.950 113.687 115.700 -0.106 0.000 2.727 870 S HA 0.743 5.212 4.470 -0.000 0.000 0.278 870 S C -0.754 173.739 174.600 -0.179 0.000 1.186 870 S CA -0.346 57.806 58.200 -0.079 0.000 0.836 870 S CB 2.313 65.517 63.200 0.006 0.000 1.186 870 S HN 0.468 nan 8.310 nan 0.000 0.499 871 S N -0.099 115.498 115.700 -0.171 0.000 2.627 871 S HA 0.859 5.329 4.470 -0.000 0.000 0.283 871 S C -1.613 172.844 174.600 -0.238 0.000 1.127 871 S CA -0.793 57.201 58.200 -0.343 0.000 0.863 871 S CB 1.472 64.248 63.200 -0.707 0.000 1.121 871 S HN 1.488 nan 8.310 nan 0.000 0.479 872 L N 1.172 122.232 121.223 -0.271 0.000 2.436 872 L HA 0.746 5.086 4.340 -0.000 0.000 0.268 872 L C -0.509 176.258 176.870 -0.171 0.000 0.974 872 L CA -0.163 54.576 54.840 -0.167 0.000 0.826 872 L CB 2.162 44.157 42.059 -0.107 0.000 1.291 872 L HN 0.921 nan 8.230 nan 0.000 0.406 873 S N 3.669 119.296 115.700 -0.121 0.000 2.475 873 S HA 0.679 5.149 4.470 -0.000 0.000 0.281 873 S C -0.789 173.773 174.600 -0.063 0.000 1.198 873 S CA -0.473 57.674 58.200 -0.089 0.000 1.063 873 S CB 0.579 63.743 63.200 -0.061 0.000 0.972 873 S HN 0.467 nan 8.310 nan 0.000 0.486 874 V N 8.651 128.537 119.914 -0.046 0.000 2.311 874 V HA 0.373 4.492 4.120 -0.000 0.000 0.275 874 V C -2.249 173.750 176.094 -0.158 0.000 1.022 874 V CA -1.975 60.264 62.300 -0.100 0.000 0.830 874 V CB 0.875 32.667 31.823 -0.052 0.000 1.012 874 V HN 0.719 nan 8.190 nan 0.000 0.452 875 P HA 0.241 nan 4.420 nan 0.000 0.269 875 P C -1.259 175.850 177.300 -0.319 0.000 1.209 875 P CA 0.114 63.136 63.100 -0.129 0.000 0.776 875 P CB 0.238 31.900 31.700 -0.064 0.000 0.876 876 Y N 0.444 120.775 120.300 0.051 0.000 2.315 876 Y HA 0.294 4.843 4.550 -0.000 0.000 0.324 876 Y C -0.208 175.690 175.900 -0.004 0.000 1.062 876 Y CA -0.986 57.129 58.100 0.024 0.000 1.159 876 Y CB 1.530 39.987 38.460 -0.004 0.000 1.145 876 Y HN 0.105 nan 8.280 nan 0.000 0.442 877 V N 4.358 124.333 119.914 0.103 0.000 2.383 877 V HA 0.789 4.909 4.120 -0.000 0.000 0.275 877 V C -0.102 175.971 176.094 -0.035 0.000 1.036 877 V CA -0.533 61.785 62.300 0.030 0.000 0.889 877 V CB 0.460 32.261 31.823 -0.038 0.000 0.985 877 V HN 0.666 nan 8.190 nan 0.000 0.459 878 I N 2.357 122.912 120.570 -0.025 0.000 3.239 878 I HA 0.919 5.089 4.170 -0.000 0.000 0.314 878 I C -1.119 175.018 176.117 0.033 0.000 1.126 878 I CA -1.314 59.981 61.300 -0.008 0.000 0.973 878 I CB 2.641 40.617 38.000 -0.041 0.000 1.252 878 I HN 0.340 nan 8.210 nan 0.000 0.463 879 V N 2.147 122.123 119.914 0.102 0.000 2.445 879 V HA 0.358 4.478 4.120 -0.000 0.000 0.283 879 V C -2.539 173.620 176.094 0.109 0.000 1.014 879 V CA -1.379 60.966 62.300 0.076 0.000 0.852 879 V CB 1.384 33.204 31.823 -0.005 0.000 1.021 879 V HN 0.613 nan 8.190 nan 0.000 0.435 880 P HA 0.150 nan 4.420 nan 0.000 0.260 880 P C 0.779 177.990 177.300 -0.148 0.000 1.207 880 P CA 0.472 63.498 63.100 -0.124 0.000 0.780 880 P CB 0.554 32.227 31.700 -0.044 0.000 0.789 881 L N 3.209 124.300 121.223 -0.221 0.000 2.249 881 L HA 0.080 4.419 4.340 -0.000 0.000 0.207 881 L C 1.199 177.995 176.870 -0.124 0.000 1.090 881 L CA 0.948 55.715 54.840 -0.123 0.000 0.802 881 L CB -0.394 41.610 42.059 -0.091 0.000 0.947 881 L HN 0.350 nan 8.230 nan 0.000 0.453 882 K N -0.372 119.912 120.400 -0.194 0.000 2.435 882 K HA 0.465 4.785 4.320 -0.000 0.000 0.251 882 K C -0.162 176.338 176.600 -0.166 0.000 0.954 882 K CA -0.706 55.490 56.287 -0.151 0.000 0.820 882 K CB 1.638 34.058 32.500 -0.133 0.000 1.292 882 K HN -0.118 nan 8.250 nan 0.000 0.436 883 T N -1.080 113.401 114.554 -0.121 0.000 2.681 883 T HA 0.530 4.879 4.350 -0.000 0.000 0.333 883 T C 0.848 175.488 174.700 -0.101 0.000 1.049 883 T CA 0.269 62.304 62.100 -0.109 0.000 1.002 883 T CB -0.018 68.790 68.868 -0.099 0.000 1.161 883 T HN 1.294 nan 8.240 nan 0.000 0.519 884 G N -0.529 108.225 108.800 -0.076 0.000 2.757 884 G HA2 0.040 4.000 3.960 -0.000 0.000 0.638 884 G HA3 0.040 4.000 3.960 -0.000 0.000 0.638 884 G C -0.805 174.061 174.900 -0.058 0.000 1.344 884 G CA -0.363 44.702 45.100 -0.059 0.000 0.855 884 G HN 1.302 nan 8.290 nan 0.000 0.537 885 L N 1.208 122.407 121.223 -0.041 0.000 2.363 885 L HA 0.479 4.819 4.340 -0.000 0.000 0.286 885 L C 0.851 177.715 176.870 -0.010 0.000 1.106 885 L CA -0.241 54.582 54.840 -0.029 0.000 0.859 885 L CB 0.447 42.492 42.059 -0.024 0.000 1.223 885 L HN 0.630 nan 8.230 nan 0.000 0.446 886 Q N 3.218 123.025 119.800 0.012 0.000 2.162 886 Q HA 0.381 4.721 4.340 -0.000 0.000 0.197 886 Q C -0.600 175.490 176.000 0.150 0.000 1.013 886 Q CA -0.368 55.471 55.803 0.060 0.000 1.040 886 Q CB 0.987 29.715 28.738 -0.016 0.000 1.114 886 Q HN 0.668 nan 8.270 nan 0.000 0.547 887 E N 0.045 120.382 120.200 0.229 0.000 2.246 887 E HA 0.480 4.830 4.350 -0.000 0.000 0.266 887 E C -1.645 175.024 176.600 0.115 0.000 0.880 887 E CA -0.458 56.029 56.400 0.144 0.000 0.762 887 E CB 1.657 31.411 29.700 0.089 0.000 1.180 887 E HN 0.214 nan 8.360 nan 0.000 0.416 888 V N 4.054 123.954 119.914 -0.022 0.000 2.448 888 V HA 0.433 4.553 4.120 -0.000 0.000 0.295 888 V C -0.523 175.506 176.094 -0.109 0.000 1.025 888 V CA -0.629 61.568 62.300 -0.172 0.000 0.859 888 V CB 1.647 33.285 31.823 -0.309 0.000 0.988 888 V HN 0.749 nan 8.190 nan 0.000 0.431 889 E N 3.470 123.600 120.200 -0.117 0.000 2.275 889 E HA 0.722 5.072 4.350 -0.000 0.000 0.270 889 E C -1.625 174.913 176.600 -0.103 0.000 0.882 889 E CA -0.618 55.741 56.400 -0.068 0.000 0.758 889 E CB 2.409 32.099 29.700 -0.016 0.000 1.195 889 E HN 0.608 nan 8.360 nan 0.000 0.419 890 V N 0.859 120.726 119.914 -0.079 0.000 2.638 890 V HA 0.662 4.782 4.120 -0.000 0.000 0.306 890 V C -0.868 175.224 176.094 -0.003 0.000 1.052 890 V CA -0.891 61.359 62.300 -0.084 0.000 0.885 890 V CB 1.538 33.277 31.823 -0.141 0.000 0.999 890 V HN 0.587 nan 8.190 nan 0.000 0.424 891 K N 2.883 123.295 120.400 0.020 0.000 2.281 891 K HA 0.981 5.301 4.320 -0.000 0.000 0.242 891 K C -0.659 175.993 176.600 0.086 0.000 0.971 891 K CA -0.588 55.731 56.287 0.054 0.000 0.834 891 K CB 2.488 35.012 32.500 0.041 0.000 1.181 891 K HN 1.212 nan 8.250 nan 0.000 0.435 892 A N 0.731 123.626 122.820 0.124 0.000 2.540 892 A HA 0.728 5.048 4.320 -0.000 0.000 0.297 892 A C -1.771 175.913 177.584 0.167 0.000 1.056 892 A CA -0.616 51.523 52.037 0.170 0.000 0.700 892 A CB 1.638 20.800 19.000 0.269 0.000 1.280 892 A HN 0.689 nan 8.150 nan 0.000 0.398 893 A N 0.964 123.812 122.820 0.048 0.000 2.413 893 A HA 0.881 5.201 4.320 -0.000 0.000 0.307 893 A C -0.092 177.402 177.584 -0.150 0.000 1.087 893 A CA -0.093 51.902 52.037 -0.070 0.000 0.750 893 A CB 1.280 20.202 19.000 -0.130 0.000 1.296 893 A HN 2.241 nan 8.150 nan 0.000 0.423 894 V N -1.143 118.638 119.914 -0.221 0.000 2.713 894 V HA 0.699 4.819 4.120 -0.000 0.000 0.307 894 V C -0.707 175.352 176.094 -0.058 0.000 1.052 894 V CA -0.883 61.326 62.300 -0.151 0.000 0.967 894 V CB 0.797 32.458 31.823 -0.270 0.000 1.019 894 V HN 0.687 nan 8.190 nan 0.000 0.459 895 Y N 2.066 122.380 120.300 0.023 0.000 2.299 895 Y HA 0.445 4.995 4.550 -0.000 0.000 0.326 895 Y C 1.004 177.010 175.900 0.177 0.000 1.164 895 Y CA 0.843 58.952 58.100 0.014 0.000 1.234 895 Y CB 0.413 38.906 38.460 0.055 0.000 1.219 895 Y HN 1.019 nan 8.280 nan 0.000 0.497 896 H N -0.407 118.741 119.070 0.129 0.000 2.899 896 H HA -0.211 4.344 4.556 -0.000 0.000 0.282 896 H C -1.104 174.022 175.328 -0.336 0.000 1.198 896 H CA 1.109 57.124 56.048 -0.054 0.000 1.140 896 H CB -2.080 27.642 29.762 -0.066 0.000 1.317 896 H HN 0.716 nan 8.280 nan 0.000 0.375 897 H N -2.037 117.093 119.070 0.100 0.000 3.017 897 H HA 0.343 4.898 4.556 -0.000 0.000 0.346 897 H C -0.981 174.411 175.328 0.106 0.000 1.286 897 H CA -0.875 55.234 56.048 0.102 0.000 1.120 897 H CB 0.703 30.502 29.762 0.062 0.000 1.860 897 H HN 0.076 nan 8.280 nan 0.000 0.542 898 F N 2.957 122.985 119.950 0.130 0.000 2.753 898 F HA 0.397 4.924 4.527 -0.000 0.000 0.314 898 F C -1.200 174.645 175.800 0.076 0.000 1.215 898 F CA -0.282 57.759 58.000 0.069 0.000 1.243 898 F CB -0.119 38.914 39.000 0.055 0.000 1.400 898 F HN 0.232 nan 8.300 nan 0.000 0.548 899 I N 1.599 122.139 120.570 -0.051 0.000 2.582 899 I HA 0.459 4.628 4.170 -0.000 0.000 0.292 899 I C -0.392 175.670 176.117 -0.091 0.000 1.066 899 I CA -0.499 60.773 61.300 -0.046 0.000 1.053 899 I CB 1.533 39.528 38.000 -0.008 0.000 1.241 899 I HN 0.289 nan 8.210 nan 0.000 0.421 900 S N 3.654 119.361 115.700 0.011 0.000 2.588 900 S HA 0.830 5.300 4.470 -0.000 0.000 0.269 900 S C -1.593 173.124 174.600 0.195 0.000 1.157 900 S CA -0.722 57.529 58.200 0.085 0.000 0.824 900 S CB 3.255 66.423 63.200 -0.053 0.000 1.126 900 S HN 0.594 nan 8.310 nan 0.000 0.464 901 D N -1.485 119.049 120.400 0.222 0.000 2.653 901 D HA 0.711 5.351 4.640 -0.000 0.000 0.258 901 D C -0.708 175.672 176.300 0.133 0.000 1.252 901 D CA 0.315 54.421 54.000 0.176 0.000 0.777 901 D CB 1.692 42.605 40.800 0.188 0.000 1.339 901 D HN 1.097 nan 8.370 nan 0.000 0.422 902 G N -0.341 108.529 108.800 0.118 0.000 2.698 902 G HA2 0.568 4.527 3.960 -0.000 0.000 0.293 902 G HA3 0.568 4.527 3.960 -0.000 0.000 0.293 902 G C -1.798 173.183 174.900 0.135 0.000 1.437 902 G CA -0.513 44.647 45.100 0.100 0.000 0.852 902 G HN 0.445 nan 8.290 nan 0.000 0.499 903 V N 0.742 120.724 119.914 0.112 0.000 2.525 903 V HA 0.589 4.709 4.120 -0.000 0.000 0.299 903 V C -0.039 176.118 176.094 0.105 0.000 1.034 903 V CA -0.793 61.600 62.300 0.155 0.000 0.863 903 V CB 1.813 33.671 31.823 0.058 0.000 0.999 903 V HN 0.769 nan 8.190 nan 0.000 0.423 904 R N 4.102 124.711 120.500 0.181 0.000 2.505 904 R HA 0.448 4.787 4.340 -0.000 0.000 0.284 904 R C -0.182 176.203 176.300 0.141 0.000 1.324 904 R CA -0.386 55.783 56.100 0.115 0.000 1.432 904 R CB 0.451 30.808 30.300 0.094 0.000 1.107 904 R HN 0.688 nan 8.270 nan 0.000 0.587 905 K N 0.479 120.917 120.400 0.062 0.000 2.240 905 K HA 0.463 4.783 4.320 -0.000 0.000 0.237 905 K C -0.465 176.153 176.600 0.030 0.000 1.027 905 K CA -0.733 55.581 56.287 0.045 0.000 0.937 905 K CB 1.559 34.025 32.500 -0.057 0.000 1.171 905 K HN 0.203 nan 8.250 nan 0.000 0.479 906 S N 1.004 116.720 115.700 0.027 0.000 2.538 906 S HA 0.463 4.933 4.470 -0.000 0.000 0.288 906 S C -1.086 173.516 174.600 0.003 0.000 1.108 906 S CA -0.976 57.241 58.200 0.029 0.000 0.971 906 S CB 0.918 64.139 63.200 0.035 0.000 1.041 906 S HN 0.525 nan 8.310 nan 0.000 0.483 907 L N 0.116 121.354 121.223 0.025 0.000 2.362 907 L HA 0.727 5.067 4.340 -0.000 0.000 0.271 907 L C -0.699 176.163 176.870 -0.013 0.000 1.002 907 L CA -1.005 53.830 54.840 -0.008 0.000 0.818 907 L CB 1.288 43.361 42.059 0.024 0.000 1.298 907 L HN 0.347 nan 8.230 nan 0.000 0.420 908 K N 1.851 122.189 120.400 -0.103 0.000 2.202 908 K HA 0.473 4.793 4.320 -0.000 0.000 0.264 908 K C -0.873 175.700 176.600 -0.044 0.000 1.010 908 K CA -0.617 55.609 56.287 -0.101 0.000 0.940 908 K CB 1.820 34.201 32.500 -0.198 0.000 0.983 908 K HN 0.504 nan 8.250 nan 0.000 0.475 909 V N 3.026 122.914 119.914 -0.043 0.000 2.320 909 V HA 0.091 4.210 4.120 -0.000 0.000 0.268 909 V C -0.373 175.694 176.094 -0.044 0.000 1.021 909 V CA -0.884 61.393 62.300 -0.038 0.000 0.813 909 V CB 1.128 32.904 31.823 -0.079 0.000 1.054 909 V HN 0.466 nan 8.190 nan 0.000 0.444 910 V N 6.932 126.837 119.914 -0.015 0.000 2.572 910 V HA 0.186 4.306 4.120 -0.000 0.000 0.291 910 V C -1.814 174.236 176.094 -0.074 0.000 1.039 910 V CA -1.274 61.017 62.300 -0.014 0.000 1.055 910 V CB 1.100 32.963 31.823 0.066 0.000 0.969 910 V HN 0.615 nan 8.190 nan 0.000 0.482 911 P HA 0.023 nan 4.420 nan 0.000 0.268 911 P C -0.151 177.070 177.300 -0.132 0.000 1.208 911 P CA -0.109 62.846 63.100 -0.243 0.000 0.777 911 P CB 0.435 31.822 31.700 -0.521 0.000 0.875 912 E N 1.150 121.309 120.200 -0.069 0.000 2.299 912 E HA 0.390 4.740 4.350 -0.000 0.000 0.272 912 E C 0.425 177.037 176.600 0.020 0.000 1.043 912 E CA 0.087 56.483 56.400 -0.008 0.000 0.895 912 E CB -0.295 29.406 29.700 0.002 0.000 1.011 912 E HN 0.641 nan 8.360 nan 0.000 0.432 913 G N 3.680 112.510 108.800 0.050 0.000 2.373 913 G HA2 0.091 4.050 3.960 -0.000 0.000 0.250 913 G HA3 0.091 4.050 3.960 -0.000 0.000 0.250 913 G C -1.549 173.386 174.900 0.058 0.000 1.304 913 G CA -0.441 44.697 45.100 0.063 0.000 0.948 913 G HN 0.617 nan 8.290 nan 0.000 0.474 914 I N -0.022 120.560 120.570 0.020 0.000 2.769 914 I HA 0.624 4.794 4.170 -0.000 0.000 0.298 914 I C -0.572 175.460 176.117 -0.142 0.000 1.128 914 I CA -1.276 60.002 61.300 -0.035 0.000 1.031 914 I CB 1.966 39.937 38.000 -0.048 0.000 1.235 914 I HN 0.415 nan 8.210 nan 0.000 0.423 915 R N 7.470 127.880 120.500 -0.151 0.000 2.248 915 R HA 0.405 4.745 4.340 -0.000 0.000 0.337 915 R C -0.667 175.485 176.300 -0.247 0.000 1.085 915 R CA -0.180 55.771 56.100 -0.249 0.000 0.934 915 R CB 0.325 30.525 30.300 -0.167 0.000 1.034 915 R HN 0.549 nan 8.270 nan 0.000 0.465 916 M N 2.098 121.461 119.600 -0.394 0.000 2.705 916 M HA 0.299 4.778 4.480 -0.000 0.000 0.311 916 M C 0.313 176.511 176.300 -0.170 0.000 1.214 916 M CA -0.854 54.268 55.300 -0.297 0.000 0.920 916 M CB 1.775 34.136 32.600 -0.398 0.000 1.687 916 M HN 0.370 nan 8.290 nan 0.000 0.481 917 N N 0.392 119.077 118.700 -0.026 0.000 2.716 917 N HA 0.194 4.934 4.740 -0.000 0.000 0.245 917 N C -1.475 174.085 175.510 0.084 0.000 1.495 917 N CA -0.477 52.602 53.050 0.047 0.000 0.759 917 N CB 0.178 38.671 38.487 0.009 0.000 1.261 917 N HN 0.466 nan 8.380 nan 0.000 0.515 918 K N 0.712 121.206 120.400 0.157 0.000 2.419 918 K HA 0.086 4.406 4.320 -0.000 0.000 0.282 918 K C -0.226 176.418 176.600 0.072 0.000 1.056 918 K CA 0.413 56.768 56.287 0.114 0.000 1.035 918 K CB 0.214 32.791 32.500 0.128 0.000 0.921 918 K HN 0.312 nan 8.250 nan 0.000 0.472 919 T N 3.345 117.929 114.554 0.050 0.000 2.776 919 T HA 0.031 4.381 4.350 -0.000 0.000 0.292 919 T C 1.811 176.530 174.700 0.032 0.000 0.921 919 T CA -0.501 61.622 62.100 0.039 0.000 1.038 919 T CB 0.622 69.507 68.868 0.028 0.000 0.910 919 T HN 0.273 nan 8.240 nan 0.000 0.536 920 V N 2.492 122.427 119.914 0.036 0.000 2.220 920 V HA 0.013 4.133 4.120 -0.000 0.000 0.246 920 V C 1.265 177.363 176.094 0.007 0.000 1.049 920 V CA 1.982 64.294 62.300 0.020 0.000 1.003 920 V CB -0.629 31.213 31.823 0.032 0.000 0.634 920 V HN 1.027 nan 8.190 nan 0.000 0.444 921 A N -1.249 121.580 122.820 0.014 0.000 2.608 921 A HA 0.643 4.963 4.320 -0.000 0.000 0.292 921 A C -1.118 176.476 177.584 0.016 0.000 1.066 921 A CA 0.155 52.195 52.037 0.004 0.000 0.676 921 A CB 1.905 20.894 19.000 -0.018 0.000 1.277 921 A HN 0.868 nan 8.150 nan 0.000 0.413 922 V N -0.022 119.899 119.914 0.011 0.000 2.313 922 V HA 0.569 4.689 4.120 -0.000 0.000 0.262 922 V C -0.246 175.855 176.094 0.011 0.000 1.011 922 V CA -0.986 61.323 62.300 0.014 0.000 0.858 922 V CB 0.238 32.068 31.823 0.013 0.000 1.104 922 V HN 0.748 nan 8.190 nan 0.000 0.456 923 R N 1.426 121.934 120.500 0.013 0.000 2.560 923 R HA 0.640 4.980 4.340 -0.000 0.000 0.270 923 R C 0.059 176.367 176.300 0.015 0.000 1.074 923 R CA -0.290 55.816 56.100 0.010 0.000 1.140 923 R CB 0.941 31.246 30.300 0.008 0.000 1.073 923 R HN 0.625 nan 8.270 nan 0.000 0.527 924 T N 2.246 116.808 114.554 0.014 0.000 2.779 924 T HA 0.463 4.813 4.350 -0.000 0.000 0.280 924 T C 0.068 174.779 174.700 0.018 0.000 0.987 924 T CA -0.627 61.482 62.100 0.016 0.000 0.966 924 T CB 0.987 69.865 68.868 0.017 0.000 0.933 924 T HN 0.202 nan 8.240 nan 0.000 0.442 925 L N 4.827 126.062 121.223 0.020 0.000 2.265 925 L HA 0.561 4.901 4.340 -0.000 0.000 0.289 925 L C -0.548 176.337 176.870 0.024 0.000 1.033 925 L CA -0.693 54.160 54.840 0.022 0.000 0.814 925 L CB 0.651 42.723 42.059 0.022 0.000 1.203 925 L HN 0.749 nan 8.230 nan 0.000 0.423 926 D N 2.691 123.105 120.400 0.024 0.000 2.491 926 D HA 0.221 4.861 4.640 -0.000 0.000 0.232 926 D C -2.899 173.417 176.300 0.027 0.000 1.334 926 D CA -1.263 52.754 54.000 0.028 0.000 0.909 926 D CB 0.901 41.720 40.800 0.031 0.000 1.513 926 D HN 0.076 nan 8.370 nan 0.000 0.514 927 P HA 0.087 nan 4.420 nan 0.000 0.272 927 P C 0.497 177.813 177.300 0.027 0.000 1.248 927 P CA 0.317 63.432 63.100 0.024 0.000 0.799 927 P CB 0.537 32.251 31.700 0.023 0.000 0.997 928 E N -2.335 117.880 120.200 0.024 0.000 4.584 928 E HA -0.352 3.997 4.350 -0.000 0.000 0.282 928 E C 1.449 178.064 176.600 0.026 0.000 0.747 928 E CA 1.550 57.966 56.400 0.026 0.000 1.563 928 E CB -1.066 28.652 29.700 0.031 0.000 1.779 928 E HN 0.458 nan 8.360 nan 0.000 0.408 929 R N 0.666 121.182 120.500 0.027 0.000 2.123 929 R HA 0.203 4.543 4.340 -0.000 0.000 0.209 929 R C 1.648 177.961 176.300 0.021 0.000 1.078 929 R CA 0.822 56.937 56.100 0.026 0.000 1.028 929 R CB 0.456 30.774 30.300 0.030 0.000 0.939 929 R HN 0.181 nan 8.270 nan 0.000 0.463 930 L N 0.327 121.562 121.223 0.020 0.000 3.229 930 L HA 0.435 4.775 4.340 -0.000 0.000 0.286 930 L C 0.575 177.454 176.870 0.014 0.000 1.239 930 L CA -0.467 54.383 54.840 0.016 0.000 1.035 930 L CB 1.534 43.602 42.059 0.015 0.000 1.408 930 L HN 0.215 nan 8.230 nan 0.000 0.593 931 G N 0.994 109.803 108.800 0.016 0.000 2.890 931 G HA2 0.734 4.694 3.960 -0.000 0.000 0.189 931 G HA3 0.734 4.694 3.960 -0.000 0.000 0.189 931 G C -0.665 174.243 174.900 0.014 0.000 1.342 931 G CA -0.496 44.613 45.100 0.015 0.000 1.026 931 G HN 0.251 nan 8.290 nan 0.000 0.579 932 R N -1.795 118.713 120.500 0.014 0.000 2.808 932 R HA 0.388 4.728 4.340 -0.000 0.000 0.254 932 R C -0.834 175.473 176.300 0.012 0.000 1.145 932 R CA -0.609 55.498 56.100 0.012 0.000 1.066 932 R CB 0.831 31.137 30.300 0.010 0.000 1.268 932 R HN 0.446 nan 8.270 nan 0.000 0.447 933 E N 0.808 121.015 120.200 0.012 0.000 3.370 933 E HA -0.247 4.103 4.350 -0.000 0.000 0.291 933 E C 0.997 177.605 176.600 0.014 0.000 0.916 933 E CA 2.413 58.820 56.400 0.012 0.000 0.981 933 E CB -1.308 28.398 29.700 0.011 0.000 1.498 933 E HN 1.286 nan 8.360 nan 0.000 0.452 934 G N -2.355 106.454 108.800 0.016 0.000 2.195 934 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.224 934 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.224 934 G C 0.301 175.212 174.900 0.018 0.000 0.990 934 G CA 0.401 45.511 45.100 0.018 0.000 0.639 934 G HN 1.102 nan 8.290 nan 0.000 0.514 935 V N -2.165 117.759 119.914 0.016 0.000 2.815 935 V HA 0.905 5.024 4.120 -0.000 0.000 0.314 935 V C -0.384 175.720 176.094 0.016 0.000 1.064 935 V CA -0.584 61.726 62.300 0.017 0.000 0.952 935 V CB 1.978 33.811 31.823 0.016 0.000 1.020 935 V HN 0.601 nan 8.190 nan 0.000 0.439 936 Q N 1.709 121.520 119.800 0.018 0.000 2.285 936 Q HA 0.518 4.858 4.340 -0.000 0.000 0.269 936 Q C -1.398 174.612 176.000 0.017 0.000 1.030 936 Q CA -0.700 55.113 55.803 0.016 0.000 0.788 936 Q CB 2.312 31.061 28.738 0.018 0.000 1.266 936 Q HN 0.894 nan 8.270 nan 0.000 0.438 937 K N 2.596 123.003 120.400 0.012 0.000 2.206 937 K HA 0.403 4.723 4.320 -0.000 0.000 0.264 937 K C -1.008 175.593 176.600 0.001 0.000 0.967 937 K CA -0.685 55.607 56.287 0.009 0.000 0.844 937 K CB 1.646 34.149 32.500 0.006 0.000 1.099 937 K HN 0.401 nan 8.250 nan 0.000 0.441 938 E N 2.501 122.700 120.200 -0.002 0.000 2.343 938 E HA 0.152 4.502 4.350 -0.000 0.000 0.260 938 E C -1.543 175.026 176.600 -0.052 0.000 0.908 938 E CA -0.487 55.902 56.400 -0.019 0.000 0.814 938 E CB 0.692 30.389 29.700 -0.006 0.000 1.302 938 E HN 0.354 nan 8.360 nan 0.000 0.408 939 D N 3.200 123.556 120.400 -0.075 0.000 2.341 939 D HA 0.334 4.973 4.640 -0.000 0.000 0.245 939 D C 0.005 176.184 176.300 -0.202 0.000 1.106 939 D CA 0.154 54.076 54.000 -0.129 0.000 0.905 939 D CB 0.938 41.680 40.800 -0.096 0.000 1.202 939 D HN 0.421 nan 8.370 nan 0.000 0.426 940 I N 2.620 122.973 120.570 -0.361 0.000 2.476 940 I HA 0.193 4.363 4.170 -0.000 0.000 0.281 940 I C -2.404 173.473 176.117 -0.400 0.000 1.040 940 I CA -2.024 59.009 61.300 -0.445 0.000 1.094 940 I CB 2.023 39.556 38.000 -0.777 0.000 1.219 940 I HN -0.037 nan 8.210 nan 0.000 0.450 941 P HA 0.166 nan 4.420 nan 0.000 0.268 941 P C -2.404 174.826 177.300 -0.116 0.000 1.205 941 P CA -0.810 62.205 63.100 -0.140 0.000 0.771 941 P CB -0.174 31.472 31.700 -0.091 0.000 0.858 942 P HA 0.071 nan 4.420 nan 0.000 0.269 942 P C -0.340 176.943 177.300 -0.029 0.000 1.217 942 P CA 0.064 63.149 63.100 -0.024 0.000 0.783 942 P CB 0.285 31.976 31.700 -0.015 0.000 0.898 943 A N 1.525 124.333 122.820 -0.019 0.000 2.406 943 A HA 0.046 4.366 4.320 -0.000 0.000 0.243 943 A C 1.393 178.932 177.584 -0.074 0.000 1.082 943 A CA 0.137 52.148 52.037 -0.044 0.000 0.786 943 A CB -0.222 18.745 19.000 -0.055 0.000 1.029 943 A HN 0.603 nan 8.150 nan 0.000 0.495 944 D N -0.171 120.181 120.400 -0.080 0.000 2.096 944 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 944 D C 0.944 177.161 176.300 -0.138 0.000 0.980 944 D CA 1.925 55.876 54.000 -0.082 0.000 0.860 944 D CB -0.349 40.420 40.800 -0.051 0.000 1.005 944 D HN 0.639 nan 8.370 nan 0.000 0.449 945 L N -0.085 120.995 121.223 -0.237 0.000 3.843 945 L HA -0.271 4.069 4.340 -0.000 0.000 0.411 945 L C 1.545 178.316 176.870 -0.165 0.000 1.205 945 L CA 0.350 54.963 54.840 -0.378 0.000 0.945 945 L CB -2.419 39.394 42.059 -0.409 0.000 1.929 945 L HN 0.178 nan 8.230 nan 0.000 0.934 946 S N -0.507 115.145 115.700 -0.079 0.000 2.383 946 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 946 S C 1.155 175.761 174.600 0.009 0.000 1.026 946 S CA 1.085 59.269 58.200 -0.027 0.000 0.981 946 S CB -0.128 63.066 63.200 -0.010 0.000 0.818 946 S HN 0.682 nan 8.310 nan 0.000 0.472 947 D N 0.897 121.326 120.400 0.048 0.000 2.561 947 D HA 0.121 4.761 4.640 -0.000 0.000 0.232 947 D C 0.240 176.638 176.300 0.163 0.000 1.198 947 D CA -0.376 53.680 54.000 0.094 0.000 0.826 947 D CB -0.695 40.168 40.800 0.105 0.000 0.992 947 D HN 0.584 nan 8.370 nan 0.000 0.490 948 Q N 0.646 120.523 119.800 0.128 0.000 2.332 948 Q HA 0.189 4.528 4.340 -0.000 0.000 0.263 948 Q C -0.369 175.724 176.000 0.154 0.000 0.979 948 Q CA -0.553 55.373 55.803 0.205 0.000 0.885 948 Q CB 1.158 29.930 28.738 0.056 0.000 1.218 948 Q HN 0.012 nan 8.270 nan 0.000 0.405 949 V N 7.124 127.149 119.914 0.186 0.000 2.599 949 V HA 0.051 4.170 4.120 -0.000 0.000 0.300 949 V C -1.999 174.136 176.094 0.069 0.000 1.034 949 V CA -0.985 61.380 62.300 0.109 0.000 1.115 949 V CB 0.415 32.298 31.823 0.100 0.000 0.934 949 V HN 0.845 nan 8.190 nan 0.000 0.485 950 P HA 0.049 nan 4.420 nan 0.000 0.265 950 P C 0.109 177.407 177.300 -0.003 0.000 1.193 950 P CA 0.476 63.583 63.100 0.012 0.000 0.765 950 P CB 0.145 31.845 31.700 0.001 0.000 0.823 951 D N 1.172 121.567 120.400 -0.009 0.000 2.760 951 D HA -0.134 4.506 4.640 -0.000 0.000 0.244 951 D C -0.940 175.349 176.300 -0.019 0.000 1.123 951 D CA 1.364 55.351 54.000 -0.022 0.000 0.719 951 D CB -1.352 39.423 40.800 -0.041 0.000 1.045 951 D HN 0.469 nan 8.370 nan 0.000 0.426 952 T N -1.273 113.288 114.554 0.011 0.000 2.933 952 T HA 0.670 5.020 4.350 -0.000 0.000 0.305 952 T C -0.064 174.682 174.700 0.078 0.000 1.092 952 T CA -0.917 61.201 62.100 0.030 0.000 1.008 952 T CB 2.052 70.957 68.868 0.062 0.000 1.102 952 T HN 0.165 nan 8.240 nan 0.000 0.469 953 E N 1.386 121.640 120.200 0.091 0.000 2.312 953 E HA 0.735 5.085 4.350 -0.000 0.000 0.259 953 E C -0.431 176.260 176.600 0.151 0.000 1.122 953 E CA -0.831 55.626 56.400 0.095 0.000 0.922 953 E CB 0.871 30.610 29.700 0.065 0.000 1.109 953 E HN 0.969 nan 8.360 nan 0.000 0.442 954 S N -0.812 114.952 115.700 0.107 0.000 2.542 954 S HA 0.445 4.914 4.470 -0.000 0.000 0.276 954 S C -1.148 173.491 174.600 0.066 0.000 1.148 954 S CA -1.122 57.147 58.200 0.115 0.000 0.886 954 S CB 0.758 64.043 63.200 0.143 0.000 1.109 954 S HN 0.765 nan 8.310 nan 0.000 0.458 955 E N 0.725 120.960 120.200 0.059 0.000 2.263 955 E HA 0.744 5.093 4.350 -0.000 0.000 0.264 955 E C -1.237 175.382 176.600 0.031 0.000 0.923 955 E CA -1.030 55.389 56.400 0.032 0.000 0.802 955 E CB 1.861 31.573 29.700 0.021 0.000 1.228 955 E HN 0.456 nan 8.360 nan 0.000 0.417 956 T N 1.486 116.047 114.554 0.012 0.000 2.791 956 T HA 0.281 4.631 4.350 -0.000 0.000 0.288 956 T C -0.503 174.186 174.700 -0.018 0.000 0.999 956 T CA -0.658 61.452 62.100 0.015 0.000 0.952 956 T CB 0.691 69.579 68.868 0.033 0.000 0.938 956 T HN 0.402 nan 8.240 nan 0.000 0.444 957 R N 4.805 125.304 120.500 -0.003 0.000 2.391 957 R HA 0.355 4.695 4.340 -0.000 0.000 0.310 957 R C -0.270 176.015 176.300 -0.025 0.000 1.174 957 R CA -0.429 55.658 56.100 -0.022 0.000 1.118 957 R CB -0.216 30.079 30.300 -0.009 0.000 1.134 957 R HN 0.619 nan 8.270 nan 0.000 0.524 958 I N 4.864 125.389 120.570 -0.074 0.000 2.634 958 I HA 0.135 4.305 4.170 -0.000 0.000 0.284 958 I C 0.078 176.157 176.117 -0.062 0.000 1.124 958 I CA -0.093 61.166 61.300 -0.069 0.000 1.417 958 I CB 0.858 38.739 38.000 -0.199 0.000 1.396 958 I HN 0.466 nan 8.210 nan 0.000 0.571 959 L N 6.984 128.187 121.223 -0.032 0.000 2.470 959 L HA 0.558 4.898 4.340 -0.000 0.000 0.268 959 L C -1.096 175.746 176.870 -0.047 0.000 0.964 959 L CA -0.458 54.353 54.840 -0.049 0.000 0.839 959 L CB 1.947 43.987 42.059 -0.030 0.000 1.276 959 L HN 0.516 nan 8.230 nan 0.000 0.403 960 L N 3.766 124.939 121.223 -0.084 0.000 2.319 960 L HA 0.688 5.027 4.340 -0.000 0.000 0.267 960 L C -0.806 176.026 176.870 -0.064 0.000 1.011 960 L CA -0.528 54.269 54.840 -0.071 0.000 0.818 960 L CB 2.062 44.058 42.059 -0.106 0.000 1.316 960 L HN 0.583 nan 8.230 nan 0.000 0.432 961 Q N 0.330 120.106 119.800 -0.041 0.000 2.518 961 Q HA 0.382 4.722 4.340 -0.000 0.000 0.254 961 Q C -1.046 174.939 176.000 -0.026 0.000 0.962 961 Q CA -0.459 55.321 55.803 -0.038 0.000 0.982 961 Q CB 1.964 30.680 28.738 -0.036 0.000 1.516 961 Q HN 0.788 nan 8.270 nan 0.000 0.426 962 G N 0.680 109.462 108.800 -0.030 0.000 2.621 962 G HA2 0.519 4.479 3.960 -0.000 0.000 0.271 962 G HA3 0.519 4.479 3.960 -0.000 0.000 0.271 962 G C -0.700 174.186 174.900 -0.023 0.000 1.236 962 G CA 0.365 45.453 45.100 -0.020 0.000 0.958 962 G HN 0.448 nan 8.290 nan 0.000 0.512 963 T N 0.462 115.014 114.554 -0.002 0.000 4.111 963 T HA 0.429 4.779 4.350 -0.000 0.000 0.346 963 T C -3.025 171.706 174.700 0.051 0.000 0.893 963 T CA -0.833 61.270 62.100 0.005 0.000 1.011 963 T CB 1.509 70.383 68.868 0.011 0.000 1.094 963 T HN 0.289 nan 8.240 nan 0.000 0.467 964 P HA 0.353 nan 4.420 nan 0.000 0.267 964 P C 0.861 178.242 177.300 0.135 0.000 1.205 964 P CA 0.296 63.503 63.100 0.179 0.000 0.765 964 P CB 0.964 32.802 31.700 0.229 0.000 0.828 965 V N 0.818 120.816 119.914 0.140 0.000 0.792 965 V HA -0.297 3.823 4.120 -0.000 0.000 0.068 965 V C 0.743 176.965 176.094 0.214 0.000 2.635 965 V CA 1.811 64.214 62.300 0.171 0.000 3.584 965 V CB -1.861 30.072 31.823 0.184 0.000 1.239 965 V HN 0.806 nan 8.190 nan 0.000 1.127 966 A N 0.671 123.651 122.820 0.267 0.000 2.269 966 A HA 0.727 5.047 4.320 -0.000 0.000 0.302 966 A C 0.012 177.685 177.584 0.148 0.000 1.266 966 A CA 0.263 52.452 52.037 0.254 0.000 0.894 966 A CB 0.660 19.928 19.000 0.446 0.000 1.147 966 A HN 0.638 nan 8.150 nan 0.000 0.537 967 Q N 1.471 121.324 119.800 0.089 0.000 2.893 967 Q HA 0.685 5.025 4.340 -0.000 0.000 0.331 967 Q C -0.508 175.513 176.000 0.035 0.000 0.893 967 Q CA -1.171 54.672 55.803 0.066 0.000 0.783 967 Q CB 0.744 29.523 28.738 0.069 0.000 1.440 967 Q HN 0.668 nan 8.270 nan 0.000 0.508 968 M N -1.041 118.588 119.600 0.049 0.000 7.319 968 M HA -0.197 4.283 4.480 -0.000 0.000 0.145 968 M C -0.613 175.718 176.300 0.051 0.000 0.480 968 M CA 1.646 56.980 55.300 0.057 0.000 1.311 968 M CB -2.707 29.918 32.600 0.041 0.000 0.421 968 M HN 0.937 nan 8.290 nan 0.000 0.551 969 T N 1.336 115.923 114.554 0.056 0.000 1.377 969 T HA -0.059 4.291 4.350 -0.000 0.000 0.677 969 T C -0.304 174.472 174.700 0.127 0.000 0.963 969 T CA 0.819 62.945 62.100 0.043 0.000 3.590 969 T CB -0.555 68.299 68.868 -0.024 0.000 2.055 969 T HN 0.503 nan 8.240 nan 0.000 0.401 970 E N 1.919 122.273 120.200 0.257 0.000 2.250 970 E HA 0.391 4.740 4.350 -0.000 0.000 0.265 970 E C 0.242 176.955 176.600 0.188 0.000 1.033 970 E CA -0.797 55.733 56.400 0.216 0.000 0.888 970 E CB 0.794 30.619 29.700 0.209 0.000 1.151 970 E HN 0.537 nan 8.360 nan 0.000 0.412 971 D N 0.259 120.736 120.400 0.129 0.000 2.339 971 D HA 0.351 4.991 4.640 -0.000 0.000 0.245 971 D C -0.301 176.086 176.300 0.145 0.000 1.115 971 D CA -0.112 53.956 54.000 0.113 0.000 0.917 971 D CB 0.887 41.739 40.800 0.086 0.000 1.192 971 D HN 0.388 nan 8.370 nan 0.000 0.428 972 A N 0.978 123.885 122.820 0.145 0.000 2.295 972 A HA 0.454 4.774 4.320 -0.000 0.000 0.318 972 A C -0.139 177.586 177.584 0.235 0.000 1.134 972 A CA -0.727 51.440 52.037 0.216 0.000 0.827 972 A CB 0.703 19.794 19.000 0.152 0.000 1.136 972 A HN 0.364 nan 8.150 nan 0.000 0.493 973 V N 2.794 122.908 119.914 0.335 0.000 2.540 973 V HA -0.005 4.115 4.120 -0.000 0.000 0.297 973 V C -0.011 176.246 176.094 0.272 0.000 1.024 973 V CA -0.046 62.426 62.300 0.287 0.000 1.105 973 V CB -0.039 31.946 31.823 0.270 0.000 0.938 973 V HN 0.840 nan 8.190 nan 0.000 0.482 974 D N 3.863 124.370 120.400 0.179 0.000 2.488 974 D HA 0.159 4.799 4.640 -0.000 0.000 0.238 974 D C 0.996 177.354 176.300 0.096 0.000 1.138 974 D CA 0.600 54.667 54.000 0.111 0.000 0.873 974 D CB 1.249 42.086 40.800 0.062 0.000 1.183 974 D HN 0.645 nan 8.370 nan 0.000 0.458 975 A N 2.786 125.657 122.820 0.084 0.000 2.067 975 A HA -0.184 4.135 4.320 -0.000 0.000 0.219 975 A C 1.823 179.495 177.584 0.146 0.000 1.158 975 A CA 1.144 53.242 52.037 0.101 0.000 0.661 975 A CB -0.434 18.605 19.000 0.065 0.000 0.801 975 A HN 0.707 nan 8.150 nan 0.000 0.452 976 E N -0.409 119.816 120.200 0.041 0.000 2.338 976 E HA -0.141 4.209 4.350 -0.000 0.000 0.197 976 E C 1.425 177.967 176.600 -0.097 0.000 1.007 976 E CA 0.420 56.793 56.400 -0.045 0.000 0.849 976 E CB 0.040 29.710 29.700 -0.051 0.000 0.774 976 E HN 0.344 nan 8.360 nan 0.000 0.506 977 R N -0.206 120.212 120.500 -0.137 0.000 2.317 977 R HA 0.127 4.467 4.340 -0.000 0.000 0.208 977 R C 0.917 177.083 176.300 -0.225 0.000 0.914 977 R CA 0.220 56.106 56.100 -0.357 0.000 1.060 977 R CB 0.349 30.188 30.300 -0.768 0.000 1.015 977 R HN 0.256 nan 8.270 nan 0.000 0.498 978 L N 0.246 121.413 121.223 -0.094 0.000 3.066 978 L HA 0.272 4.612 4.340 -0.000 0.000 0.265 978 L C 0.645 177.492 176.870 -0.038 0.000 1.232 978 L CA -0.035 54.691 54.840 -0.190 0.000 1.031 978 L CB 0.345 42.281 42.059 -0.207 0.000 1.379 978 L HN -0.188 nan 8.230 nan 0.000 0.563 979 K N 0.373 120.781 120.400 0.015 0.000 2.589 979 K HA -0.004 4.316 4.320 -0.000 0.000 0.204 979 K C 0.846 177.479 176.600 0.056 0.000 1.029 979 K CA 0.302 56.583 56.287 -0.009 0.000 1.177 979 K CB -0.090 32.294 32.500 -0.193 0.000 0.902 979 K HN 0.545 nan 8.250 nan 0.000 0.501 980 H N -3.825 115.259 119.070 0.024 0.000 3.535 980 H HA 0.197 4.752 4.556 -0.000 0.000 0.260 980 H C 1.051 176.391 175.328 0.019 0.000 1.173 980 H CA -0.392 55.664 56.048 0.012 0.000 1.168 980 H CB -0.086 29.671 29.762 -0.009 0.000 1.568 980 H HN -0.013 nan 8.280 nan 0.000 0.602 981 L N 1.283 122.295 121.223 -0.352 0.000 2.599 981 L HA 0.181 4.521 4.340 -0.000 0.000 0.230 981 L C -0.041 176.786 176.870 -0.072 0.000 1.141 981 L CA 0.020 54.715 54.840 -0.241 0.000 0.877 981 L CB 0.136 41.952 42.059 -0.405 0.000 1.009 981 L HN 0.342 nan 8.230 nan 0.000 0.447 982 I N 1.444 122.019 120.570 0.008 0.000 2.206 982 I HA 0.139 4.309 4.170 -0.000 0.000 0.292 982 I C 0.019 176.175 176.117 0.065 0.000 1.156 982 I CA 0.063 61.401 61.300 0.062 0.000 1.356 982 I CB 0.061 38.144 38.000 0.137 0.000 1.494 982 I HN -0.215 nan 8.210 nan 0.000 0.601 983 V N 3.923 123.869 119.914 0.053 0.000 2.472 983 V HA 0.286 4.406 4.120 -0.000 0.000 0.290 983 V C 0.742 176.868 176.094 0.053 0.000 1.037 983 V CA -0.584 61.750 62.300 0.057 0.000 0.908 983 V CB 1.850 33.708 31.823 0.058 0.000 0.985 983 V HN 0.570 nan 8.190 nan 0.000 0.454 984 T N 7.360 121.946 114.554 0.053 0.000 2.769 984 T HA 0.199 4.549 4.350 -0.000 0.000 0.293 984 T C -2.343 172.386 174.700 0.049 0.000 0.931 984 T CA -0.605 61.525 62.100 0.051 0.000 1.139 984 T CB 0.461 69.358 68.868 0.049 0.000 0.881 984 T HN 0.471 nan 8.240 nan 0.000 0.532 985 P HA 0.162 nan 4.420 nan 0.000 0.262 985 P C -0.501 176.831 177.300 0.053 0.000 1.182 985 P CA 0.075 63.205 63.100 0.050 0.000 0.761 985 P CB 0.389 32.124 31.700 0.059 0.000 0.795 986 S N 1.322 117.046 115.700 0.041 0.000 2.578 986 S HA 0.828 5.298 4.470 -0.000 0.000 0.272 986 S C -0.334 174.281 174.600 0.025 0.000 1.145 986 S CA -0.141 58.090 58.200 0.052 0.000 0.835 986 S CB 1.517 64.750 63.200 0.055 0.000 1.104 986 S HN 0.885 nan 8.310 nan 0.000 0.458 987 G N -0.101 108.730 108.800 0.051 0.000 2.362 987 G HA2 0.205 4.165 3.960 -0.000 0.000 0.517 987 G HA3 0.205 4.165 3.960 -0.000 0.000 0.517 987 G C 0.350 175.241 174.900 -0.015 0.000 1.256 987 G CA -0.015 45.096 45.100 0.019 0.000 1.027 987 G HN 2.173 nan 8.290 nan 0.000 0.491 988 C N -0.872 118.339 119.300 -0.149 0.000 2.310 988 C HA 0.753 5.213 4.460 -0.000 0.000 0.279 988 C C 2.659 176.884 174.990 -1.274 0.000 2.750 988 C CA 1.058 59.799 59.018 -0.461 0.000 1.792 988 C CB -0.129 27.341 27.740 -0.451 0.000 1.957 988 C HN 2.190 nan 8.230 nan 0.000 0.463 989 G N -0.454 107.387 108.800 -1.599 0.000 2.509 989 G HA2 0.022 3.982 3.960 -0.000 0.000 0.218 989 G HA3 0.022 3.982 3.960 -0.000 0.000 0.218 989 G C 1.398 175.944 174.900 -0.590 0.000 1.124 989 G CA 0.801 45.119 45.100 -1.303 0.000 0.776 989 G HN 0.889 nan 8.290 nan 0.000 0.547 990 E N -0.280 119.635 120.200 -0.475 0.000 2.256 990 E HA 0.064 4.414 4.350 -0.000 0.000 0.198 990 E C 2.128 178.532 176.600 -0.326 0.000 0.908 990 E CA -0.013 56.218 56.400 -0.282 0.000 0.915 990 E CB 0.164 29.781 29.700 -0.137 0.000 0.890 990 E HN 0.370 nan 8.360 nan 0.000 0.484 991 E N 1.326 121.305 120.200 -0.369 0.000 2.153 991 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 991 E C 1.826 178.311 176.600 -0.193 0.000 0.988 991 E CA 0.756 56.960 56.400 -0.326 0.000 0.811 991 E CB -0.011 29.560 29.700 -0.215 0.000 0.746 991 E HN 0.053 nan 8.360 nan 0.000 0.466 992 N N 0.667 119.249 118.700 -0.195 0.000 2.084 992 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 992 N C 1.626 177.111 175.510 -0.042 0.000 1.030 992 N CA 1.380 54.374 53.050 -0.092 0.000 0.849 992 N CB 0.020 38.453 38.487 -0.090 0.000 1.012 992 N HN 0.043 nan 8.380 nan 0.000 0.423 993 M N 0.235 119.799 119.600 -0.060 0.000 2.175 993 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 993 M C 2.097 178.416 176.300 0.031 0.000 1.063 993 M CA 0.796 56.113 55.300 0.030 0.000 1.119 993 M CB -0.886 31.750 32.600 0.061 0.000 1.377 993 M HN 0.210 nan 8.290 nan 0.000 0.415 994 I N -0.428 120.105 120.570 -0.061 0.000 2.361 994 I HA -0.179 3.990 4.170 -0.000 0.000 0.251 994 I C 2.322 178.433 176.117 -0.009 0.000 1.133 994 I CA 1.347 62.608 61.300 -0.066 0.000 1.413 994 I CB -0.820 37.075 38.000 -0.175 0.000 1.073 994 I HN 0.325 nan 8.210 nan 0.000 0.424 995 G N -0.204 108.590 108.800 -0.010 0.000 2.838 995 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.210 995 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.210 995 G C 1.594 176.520 174.900 0.044 0.000 1.153 995 G CA -0.124 44.989 45.100 0.020 0.000 0.778 995 G HN 0.251 nan 8.290 nan 0.000 0.539 996 M N 0.244 119.876 119.600 0.053 0.000 2.486 996 M HA 0.076 4.556 4.480 -0.000 0.000 0.264 996 M C 2.343 178.696 176.300 0.088 0.000 1.125 996 M CA 0.921 56.261 55.300 0.067 0.000 1.144 996 M CB 0.043 32.687 32.600 0.073 0.000 1.353 996 M HN 0.105 nan 8.290 nan 0.000 0.466 997 T N 2.221 116.844 114.554 0.115 0.000 2.652 997 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 997 T C -0.987 173.817 174.700 0.174 0.000 1.039 997 T CA 1.675 63.881 62.100 0.177 0.000 1.153 997 T CB -1.548 67.455 68.868 0.225 0.000 0.863 997 T HN 0.377 nan 8.240 nan 0.000 0.428 998 P HA -0.057 nan 4.420 nan 0.000 0.219 998 P C 1.287 178.582 177.300 -0.010 0.000 1.146 998 P CA 1.289 64.418 63.100 0.049 0.000 0.808 998 P CB -0.265 31.461 31.700 0.044 0.000 0.779 999 T N -0.484 114.086 114.554 0.027 0.000 2.894 999 T HA -0.007 4.343 4.350 -0.000 0.000 0.258 999 T C 2.004 176.721 174.700 0.029 0.000 1.043 999 T CA 0.775 62.884 62.100 0.016 0.000 1.141 999 T CB -0.800 68.091 68.868 0.039 0.000 0.873 999 T HN -0.132 nan 8.240 nan 0.000 0.449 1000 V N 1.642 121.597 119.914 0.068 0.000 2.261 1000 V HA -0.118 4.002 4.120 -0.000 0.000 0.246 1000 V C 2.372 178.524 176.094 0.097 0.000 1.047 1000 V CA 1.395 63.749 62.300 0.090 0.000 1.015 1000 V CB -0.540 31.357 31.823 0.124 0.000 0.642 1000 V HN 0.357 nan 8.190 nan 0.000 0.446 1001 I N 0.401 121.033 120.570 0.104 0.000 2.493 1001 I HA -0.107 4.063 4.170 -0.000 0.000 0.254 1001 I C 2.271 178.354 176.117 -0.056 0.000 1.160 1001 I CA 1.379 62.683 61.300 0.007 0.000 1.445 1001 I CB -0.630 37.358 38.000 -0.019 0.000 1.086 1001 I HN 0.181 nan 8.210 nan 0.000 0.433 1002 A N -0.390 122.340 122.820 -0.151 0.000 1.855 1002 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 1002 A C 2.344 179.818 177.584 -0.184 0.000 1.191 1002 A CA 2.056 53.917 52.037 -0.294 0.000 0.613 1002 A CB -1.212 17.597 19.000 -0.319 0.000 0.829 1002 A HN 0.255 nan 8.150 nan 0.000 0.442 1003 V N -0.174 119.717 119.914 -0.039 0.000 2.407 1003 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 1003 V C 2.466 178.638 176.094 0.129 0.000 1.055 1003 V CA 2.542 64.921 62.300 0.132 0.000 1.049 1003 V CB -1.131 30.827 31.823 0.224 0.000 0.662 1003 V HN 0.859 nan 8.190 nan 0.000 0.455 1004 H N -0.872 118.209 119.070 0.018 0.000 2.353 1004 H HA -0.255 4.301 4.556 -0.000 0.000 0.300 1004 H C 2.110 177.447 175.328 0.014 0.000 1.090 1004 H CA 2.325 58.382 56.048 0.015 0.000 1.327 1004 H CB -0.260 29.494 29.762 -0.012 0.000 1.383 1004 H HN 0.508 nan 8.280 nan 0.000 0.508 1005 Y N 0.237 120.495 120.300 -0.070 0.000 2.314 1005 Y HA -0.041 4.508 4.550 -0.000 0.000 0.293 1005 Y C 1.865 177.643 175.900 -0.203 0.000 1.129 1005 Y CA 1.139 59.178 58.100 -0.103 0.000 1.201 1005 Y CB 0.005 38.454 38.460 -0.018 0.000 0.999 1005 Y HN 0.219 nan 8.280 nan 0.000 0.541 1006 L N -0.495 120.576 121.223 -0.254 0.000 2.313 1006 L HA -0.106 4.234 4.340 -0.000 0.000 0.214 1006 L C 1.493 178.196 176.870 -0.278 0.000 1.119 1006 L CA 0.818 55.336 54.840 -0.537 0.000 0.809 1006 L CB -0.357 40.924 42.059 -1.296 0.000 0.933 1006 L HN 0.107 nan 8.230 nan 0.000 0.449 1007 D N -0.166 120.202 120.400 -0.054 0.000 2.234 1007 D HA -0.117 4.523 4.640 -0.000 0.000 0.205 1007 D C 2.135 178.364 176.300 -0.119 0.000 0.962 1007 D CA 0.824 54.847 54.000 0.038 0.000 0.855 1007 D CB 0.163 40.971 40.800 0.014 0.000 0.951 1007 D HN 0.246 nan 8.370 nan 0.000 0.500 1008 E N -0.163 119.879 120.200 -0.264 0.000 2.140 1008 E HA -0.032 4.317 4.350 -0.000 0.000 0.191 1008 E C 2.088 178.525 176.600 -0.271 0.000 0.973 1008 E CA 0.969 57.205 56.400 -0.274 0.000 0.829 1008 E CB -0.321 29.177 29.700 -0.337 0.000 0.781 1008 E HN 0.391 nan 8.360 nan 0.000 0.466 1009 T N -0.873 113.452 114.554 -0.381 0.000 3.088 1009 T HA -0.008 4.342 4.350 -0.000 0.000 0.259 1009 T C 0.448 175.039 174.700 -0.182 0.000 1.122 1009 T CA 0.136 62.041 62.100 -0.325 0.000 1.095 1009 T CB 0.055 68.635 68.868 -0.480 0.000 0.930 1009 T HN -0.060 nan 8.240 nan 0.000 0.508 1010 E N 0.948 121.063 120.200 -0.140 0.000 2.389 1010 E HA -0.208 4.142 4.350 -0.000 0.000 0.243 1010 E C -0.139 176.447 176.600 -0.022 0.000 1.154 1010 E CA 0.560 56.947 56.400 -0.022 0.000 0.723 1010 E CB -2.294 27.400 29.700 -0.010 0.000 1.261 1010 E HN 0.778 nan 8.360 nan 0.000 0.390 1011 Q N -1.338 118.380 119.800 -0.137 0.000 2.211 1011 Q HA 0.094 4.433 4.340 -0.000 0.000 0.231 1011 Q C 0.857 176.792 176.000 -0.108 0.000 0.865 1011 Q CA -0.259 55.481 55.803 -0.105 0.000 0.997 1011 Q CB -0.091 28.578 28.738 -0.116 0.000 1.101 1011 Q HN 0.394 nan 8.270 nan 0.000 0.468 1012 W N 0.911 122.207 121.300 -0.007 0.000 2.961 1012 W HA -0.024 4.636 4.660 -0.000 0.000 0.240 1012 W C 1.362 177.935 176.519 0.090 0.000 1.305 1012 W CA 0.364 57.725 57.345 0.027 0.000 1.465 1012 W CB 0.433 29.877 29.460 -0.027 0.000 1.135 1012 W HN 0.339 nan 8.180 nan 0.000 0.688 1013 E N 0.464 120.802 120.200 0.230 0.000 2.021 1013 E HA -0.143 4.207 4.350 -0.000 0.000 0.189 1013 E C 2.040 178.724 176.600 0.140 0.000 0.980 1013 E CA 0.826 57.322 56.400 0.161 0.000 0.803 1013 E CB -0.198 29.562 29.700 0.101 0.000 0.766 1013 E HN 0.027 nan 8.360 nan 0.000 0.449 1014 K N 0.546 121.014 120.400 0.114 0.000 2.366 1014 K HA -0.039 4.281 4.320 -0.000 0.000 0.198 1014 K C 1.780 178.435 176.600 0.093 0.000 1.044 1014 K CA 0.467 56.802 56.287 0.080 0.000 0.973 1014 K CB -0.290 32.242 32.500 0.054 0.000 0.767 1014 K HN 0.118 nan 8.250 nan 0.000 0.475 1015 F N 1.065 121.010 119.950 -0.008 0.000 2.234 1015 F HA -0.067 4.459 4.527 -0.000 0.000 0.299 1015 F C 1.419 177.242 175.800 0.039 0.000 1.087 1015 F CA 1.736 59.720 58.000 -0.026 0.000 1.340 1015 F CB 0.307 39.242 39.000 -0.109 0.000 1.031 1015 F HN 0.237 nan 8.300 nan 0.000 0.500 1016 G N -0.207 108.688 108.800 0.158 0.000 3.134 1016 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.195 1016 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.195 1016 G C -0.020 174.994 174.900 0.190 0.000 1.054 1016 G CA -0.359 44.788 45.100 0.079 0.000 0.828 1016 G HN 0.666 nan 8.290 nan 0.000 0.462 1017 L N -0.831 120.617 121.223 0.375 0.000 0.585 1017 L HA 0.032 4.372 4.340 -0.000 0.000 0.356 1017 L C 0.919 177.886 176.870 0.161 0.000 0.995 1017 L CA 2.461 57.472 54.840 0.286 0.000 1.223 1017 L CB -0.712 41.455 42.059 0.180 0.000 0.010 1017 L HN 2.036 nan 8.230 nan 0.000 0.091 1018 E N 0.082 120.318 120.200 0.059 0.000 4.067 1018 E HA -0.309 4.041 4.350 -0.000 0.000 0.346 1018 E C 0.828 177.444 176.600 0.025 0.000 0.613 1018 E CA 2.320 58.726 56.400 0.009 0.000 1.252 1018 E CB -1.073 28.639 29.700 0.021 0.000 1.731 1018 E HN 0.729 nan 8.360 nan 0.000 0.406 1019 K N -0.076 120.397 120.400 0.120 0.000 2.444 1019 K HA 0.141 4.461 4.320 -0.000 0.000 0.193 1019 K C 1.888 178.567 176.600 0.132 0.000 1.024 1019 K CA 0.538 56.928 56.287 0.171 0.000 1.077 1019 K CB 0.113 32.798 32.500 0.307 0.000 0.833 1019 K HN 0.174 nan 8.250 nan 0.000 0.517 1020 R N 1.404 121.848 120.500 -0.093 0.000 2.073 1020 R HA -0.168 4.172 4.340 -0.000 0.000 0.229 1020 R C 2.246 178.399 176.300 -0.246 0.000 1.120 1020 R CA 1.401 57.235 56.100 -0.444 0.000 0.967 1020 R CB 0.085 29.621 30.300 -1.273 0.000 0.862 1020 R HN 0.018 nan 8.270 nan 0.000 0.436 1021 Q N 0.077 119.765 119.800 -0.186 0.000 2.096 1021 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 1021 Q C 1.761 177.725 176.000 -0.059 0.000 0.982 1021 Q CA 2.261 57.992 55.803 -0.120 0.000 0.850 1021 Q CB -0.742 27.941 28.738 -0.092 0.000 0.901 1021 Q HN 0.474 nan 8.270 nan 0.000 0.422 1022 G N -0.664 108.124 108.800 -0.021 0.000 2.471 1022 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.219 1022 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.219 1022 G C 1.377 176.294 174.900 0.028 0.000 1.125 1022 G CA 0.702 45.810 45.100 0.014 0.000 0.775 1022 G HN 0.510 nan 8.290 nan 0.000 0.548 1023 A N 0.513 123.352 122.820 0.033 0.000 1.930 1023 A HA 0.237 4.557 4.320 -0.000 0.000 0.215 1023 A C 2.270 179.864 177.584 0.017 0.000 1.176 1023 A CA 0.662 52.732 52.037 0.055 0.000 0.632 1023 A CB -0.231 18.839 19.000 0.117 0.000 0.819 1023 A HN 0.263 nan 8.150 nan 0.000 0.445 1024 L N 0.225 121.433 121.223 -0.026 0.000 2.083 1024 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 1024 L C 2.295 179.149 176.870 -0.027 0.000 1.083 1024 L CA 1.863 56.677 54.840 -0.042 0.000 0.752 1024 L CB -1.473 40.538 42.059 -0.079 0.000 0.899 1024 L HN 0.546 nan 8.230 nan 0.000 0.433 1025 E N -0.286 119.904 120.200 -0.016 0.000 2.153 1025 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 1025 E C 2.334 178.943 176.600 0.015 0.000 0.988 1025 E CA 0.685 57.084 56.400 -0.002 0.000 0.811 1025 E CB -0.015 29.686 29.700 0.002 0.000 0.746 1025 E HN 0.465 nan 8.360 nan 0.000 0.466 1026 L N 0.530 121.766 121.223 0.021 0.000 2.109 1026 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 1026 L C 2.373 179.263 176.870 0.032 0.000 1.086 1026 L CA 0.773 55.634 54.840 0.034 0.000 0.760 1026 L CB -0.311 41.774 42.059 0.042 0.000 0.910 1026 L HN 0.152 nan 8.230 nan 0.000 0.437 1027 I N -0.146 120.433 120.570 0.015 0.000 2.252 1027 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 1027 I C 2.454 178.571 176.117 0.001 0.000 1.102 1027 I CA 1.294 62.593 61.300 -0.002 0.000 1.385 1027 I CB -0.290 37.691 38.000 -0.031 0.000 1.064 1027 I HN 0.204 nan 8.210 nan 0.000 0.414 1028 K N 0.986 121.384 120.400 -0.002 0.000 2.057 1028 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 1028 K C 2.177 178.842 176.600 0.108 0.000 1.050 1028 K CA 1.254 57.558 56.287 0.029 0.000 0.935 1028 K CB -0.152 32.347 32.500 -0.000 0.000 0.715 1028 K HN 0.202 nan 8.250 nan 0.000 0.439 1029 K N 0.730 121.174 120.400 0.073 0.000 2.057 1029 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 1029 K C 2.200 178.857 176.600 0.094 0.000 1.050 1029 K CA 1.549 57.883 56.287 0.078 0.000 0.935 1029 K CB -0.258 32.277 32.500 0.058 0.000 0.715 1029 K HN 0.210 nan 8.250 nan 0.000 0.439 1030 G N -0.060 108.793 108.800 0.088 0.000 2.432 1030 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.219 1030 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.219 1030 G C 1.373 176.345 174.900 0.119 0.000 1.135 1030 G CA 0.908 46.065 45.100 0.095 0.000 0.767 1030 G HN 0.486 nan 8.290 nan 0.000 0.550 1031 Y N 1.913 122.191 120.300 -0.036 0.000 2.200 1031 Y HA -0.119 4.431 4.550 -0.000 0.000 0.290 1031 Y C 2.943 178.886 175.900 0.072 0.000 1.137 1031 Y CA 2.195 60.245 58.100 -0.082 0.000 1.163 1031 Y CB -0.402 37.916 38.460 -0.237 0.000 0.988 1031 Y HN 0.168 nan 8.280 nan 0.000 0.518 1032 T N 0.715 115.281 114.554 0.022 0.000 2.777 1032 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 1032 T C 1.699 176.391 174.700 -0.014 0.000 1.040 1032 T CA 1.811 63.886 62.100 -0.043 0.000 1.141 1032 T CB -0.244 68.663 68.868 0.064 0.000 0.868 1032 T HN 0.481 nan 8.240 nan 0.000 0.444 1033 Q N 0.529 120.371 119.800 0.070 0.000 2.084 1033 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 1033 Q C 2.473 178.641 176.000 0.279 0.000 0.978 1033 Q CA 1.282 57.174 55.803 0.148 0.000 0.844 1033 Q CB -0.214 28.640 28.738 0.193 0.000 0.898 1033 Q HN 0.357 nan 8.270 nan 0.000 0.426 1034 Q N 0.983 120.939 119.800 0.260 0.000 2.226 1034 Q HA -0.093 4.247 4.340 -0.000 0.000 0.204 1034 Q C 1.722 177.959 176.000 0.395 0.000 0.975 1034 Q CA 1.163 57.187 55.803 0.368 0.000 0.866 1034 Q CB -0.097 28.809 28.738 0.280 0.000 0.915 1034 Q HN 0.399 nan 8.270 nan 0.000 0.440 1035 L N -0.569 120.749 121.223 0.157 0.000 2.275 1035 L HA -0.047 4.292 4.340 -0.000 0.000 0.215 1035 L C 2.165 179.039 176.870 0.008 0.000 1.119 1035 L CA 0.754 55.636 54.840 0.072 0.000 0.790 1035 L CB -0.621 41.375 42.059 -0.104 0.000 0.919 1035 L HN 0.249 nan 8.230 nan 0.000 0.443 1036 A N -0.377 122.415 122.820 -0.048 0.000 2.066 1036 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 1036 A C 1.542 178.893 177.584 -0.389 0.000 1.157 1036 A CA 1.021 52.897 52.037 -0.267 0.000 0.670 1036 A CB -0.484 18.262 19.000 -0.423 0.000 0.804 1036 A HN 0.399 nan 8.150 nan 0.000 0.453 1037 F N -0.495 119.474 119.950 0.032 0.000 2.641 1037 F HA 0.275 4.802 4.527 -0.000 0.000 0.302 1037 F C 0.973 176.731 175.800 -0.070 0.000 1.098 1037 F CA -0.262 57.752 58.000 0.024 0.000 1.318 1037 F CB 0.181 39.221 39.000 0.067 0.000 1.035 1037 F HN 0.014 nan 8.300 nan 0.000 0.551 1038 R N 2.083 122.539 120.500 -0.074 0.000 2.216 1038 R HA 0.202 4.542 4.340 -0.000 0.000 0.332 1038 R C -0.075 176.027 176.300 -0.330 0.000 1.056 1038 R CA -0.169 55.661 56.100 -0.449 0.000 0.901 1038 R CB 0.486 30.512 30.300 -0.457 0.000 1.039 1038 R HN 0.308 nan 8.270 nan 0.000 0.456 1039 Q N 4.627 124.198 119.800 -0.381 0.000 2.368 1039 Q HA 0.128 4.467 4.340 -0.000 0.000 0.237 1039 Q C -1.652 174.197 176.000 -0.252 0.000 0.987 1039 Q CA -1.843 53.806 55.803 -0.256 0.000 0.896 1039 Q CB 0.863 29.457 28.738 -0.240 0.000 1.241 1039 Q HN 0.482 nan 8.270 nan 0.000 0.485 1040 P HA -0.167 nan 4.420 nan 0.000 0.221 1040 P C 0.699 177.925 177.300 -0.123 0.000 1.145 1040 P CA 1.272 64.302 63.100 -0.117 0.000 0.795 1040 P CB 0.140 31.799 31.700 -0.068 0.000 0.775 1041 S N -2.634 112.963 115.700 -0.171 0.000 2.701 1041 S HA 0.114 4.584 4.470 -0.000 0.000 0.220 1041 S C 0.937 175.356 174.600 -0.301 0.000 0.954 1041 S CA 0.291 58.395 58.200 -0.161 0.000 0.936 1041 S CB -1.024 62.090 63.200 -0.143 0.000 0.777 1041 S HN 0.008 nan 8.310 nan 0.000 0.518 1042 S N -0.568 114.941 115.700 -0.319 0.000 3.146 1042 S HA -0.175 4.295 4.470 -0.000 0.000 0.285 1042 S C 0.562 174.816 174.600 -0.577 0.000 1.293 1042 S CA 0.775 58.770 58.200 -0.342 0.000 1.137 1042 S CB -2.140 60.989 63.200 -0.117 0.000 1.357 1042 S HN 1.261 nan 8.310 nan 0.000 0.678 1043 A N -0.279 122.028 122.820 -0.854 0.000 2.247 1043 A HA 0.880 5.200 4.320 -0.000 0.000 0.313 1043 A C -0.294 176.756 177.584 -0.889 0.000 1.109 1043 A CA -0.343 51.071 52.037 -1.037 0.000 0.890 1043 A CB 0.566 18.443 19.000 -1.871 0.000 1.239 1043 A HN 0.256 nan 8.150 nan 0.000 0.506 1044 F N -1.624 118.091 119.950 -0.392 0.000 2.593 1044 F HA 0.761 5.288 4.527 -0.000 0.000 0.320 1044 F C 0.507 176.228 175.800 -0.132 0.000 1.060 1044 F CA 0.288 58.169 58.000 -0.198 0.000 0.940 1044 F CB 2.442 41.346 39.000 -0.161 0.000 1.268 1044 F HN 0.871 nan 8.300 nan 0.000 0.475 1045 A N 0.234 123.128 122.820 0.124 0.000 2.564 1045 A HA 0.692 5.011 4.320 -0.000 0.000 0.291 1045 A C 0.125 177.688 177.584 -0.035 0.000 1.102 1045 A CA -0.168 51.906 52.037 0.061 0.000 0.660 1045 A CB 0.351 19.388 19.000 0.062 0.000 1.283 1045 A HN 1.041 nan 8.150 nan 0.000 0.430 1046 A N -0.585 122.162 122.820 -0.121 0.000 1.940 1046 A HA 0.381 4.701 4.320 -0.000 0.000 0.219 1046 A C 0.411 177.496 177.584 -0.831 0.000 1.176 1046 A CA 1.866 53.606 52.037 -0.495 0.000 0.631 1046 A CB -0.524 18.227 19.000 -0.415 0.000 0.814 1046 A HN 0.987 nan 8.150 nan 0.000 0.446 1047 F N -3.683 116.352 119.950 0.142 0.000 2.664 1047 F HA 0.401 4.928 4.527 -0.000 0.000 0.317 1047 F C 0.905 176.806 175.800 0.167 0.000 1.108 1047 F CA -0.427 57.708 58.000 0.224 0.000 0.957 1047 F CB 1.662 40.751 39.000 0.149 0.000 1.365 1047 F HN -0.123 nan 8.300 nan 0.000 0.475 1048 V N -1.565 118.554 119.914 0.343 0.000 3.444 1048 V HA 0.018 4.138 4.120 -0.000 0.000 0.271 1048 V C 0.912 177.076 176.094 0.118 0.000 1.188 1048 V CA 1.354 63.746 62.300 0.154 0.000 1.168 1048 V CB -1.094 30.771 31.823 0.070 0.000 0.810 1048 V HN 0.831 nan 8.190 nan 0.000 0.500 1049 K N 0.329 120.830 120.400 0.169 0.000 2.329 1049 K HA 0.240 4.560 4.320 -0.000 0.000 0.198 1049 K C 1.280 177.949 176.600 0.115 0.000 1.085 1049 K CA -0.385 55.964 56.287 0.103 0.000 0.961 1049 K CB 0.293 32.829 32.500 0.061 0.000 0.971 1049 K HN 0.387 nan 8.250 nan 0.000 0.502 1050 R N 1.863 122.476 120.500 0.189 0.000 2.643 1050 R HA 0.180 4.520 4.340 -0.000 0.000 0.270 1050 R C -0.481 175.893 176.300 0.124 0.000 1.061 1050 R CA -0.014 56.190 56.100 0.173 0.000 1.107 1050 R CB 0.506 30.966 30.300 0.268 0.000 0.999 1050 R HN 0.100 nan 8.270 nan 0.000 0.460 1051 A N 5.501 128.386 122.820 0.109 0.000 2.531 1051 A HA 0.209 4.529 4.320 -0.000 0.000 0.236 1051 A C -2.075 175.577 177.584 0.113 0.000 1.062 1051 A CA -1.067 51.034 52.037 0.106 0.000 0.760 1051 A CB -0.218 18.847 19.000 0.109 0.000 0.995 1051 A HN 0.580 nan 8.150 nan 0.000 0.501 1052 P HA 0.070 nan 4.420 nan 0.000 0.264 1052 P C -0.298 177.129 177.300 0.211 0.000 1.193 1052 P CA 0.369 63.513 63.100 0.073 0.000 0.763 1052 P CB 0.670 32.391 31.700 0.034 0.000 0.810 1053 S N 2.075 117.885 115.700 0.184 0.000 2.422 1053 S HA 0.189 4.658 4.470 -0.000 0.000 0.298 1053 S C 1.303 176.136 174.600 0.387 0.000 1.118 1053 S CA -0.352 58.006 58.200 0.264 0.000 1.083 1053 S CB -0.103 63.227 63.200 0.216 0.000 0.971 1053 S HN 0.349 nan 8.310 nan 0.000 0.478 1054 T N 4.613 119.437 114.554 0.450 0.000 2.720 1054 T HA -0.133 4.216 4.350 -0.000 0.000 0.268 1054 T C 1.206 176.139 174.700 0.388 0.000 1.037 1054 T CA 1.655 64.040 62.100 0.476 0.000 1.144 1054 T CB -0.350 68.707 68.868 0.315 0.000 0.864 1054 T HN 0.885 nan 8.240 nan 0.000 0.444 1055 W N 1.313 122.711 121.300 0.164 0.000 2.378 1055 W HA -0.019 4.641 4.660 -0.000 0.000 0.313 1055 W C 1.974 178.585 176.519 0.153 0.000 1.197 1055 W CA 0.473 57.884 57.345 0.111 0.000 1.304 1055 W CB -0.603 28.831 29.460 -0.042 0.000 1.148 1055 W HN 0.116 nan 8.180 nan 0.000 0.494 1056 L N 0.806 122.292 121.223 0.438 0.000 2.042 1056 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 1056 L C 2.300 179.177 176.870 0.012 0.000 1.076 1056 L CA 2.816 57.783 54.840 0.212 0.000 0.749 1056 L CB -1.380 40.830 42.059 0.251 0.000 0.893 1056 L HN -0.025 nan 8.230 nan 0.000 0.432 1057 T N -0.203 114.428 114.554 0.128 0.000 2.720 1057 T HA -0.170 4.179 4.350 -0.000 0.000 0.268 1057 T C 1.867 176.574 174.700 0.012 0.000 1.037 1057 T CA 1.396 63.583 62.100 0.145 0.000 1.144 1057 T CB -0.521 68.513 68.868 0.277 0.000 0.864 1057 T HN 0.535 nan 8.240 nan 0.000 0.444 1058 A N 0.118 122.940 122.820 0.003 0.000 1.929 1058 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 1058 A C 2.072 179.514 177.584 -0.237 0.000 1.176 1058 A CA 1.153 53.126 52.037 -0.105 0.000 0.628 1058 A CB -0.855 18.099 19.000 -0.076 0.000 0.816 1058 A HN 0.593 nan 8.150 nan 0.000 0.444 1059 Y N 0.485 120.514 120.300 -0.451 0.000 2.200 1059 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 1059 Y C 2.277 177.896 175.900 -0.469 0.000 1.137 1059 Y CA 1.730 59.503 58.100 -0.545 0.000 1.163 1059 Y CB -0.195 37.696 38.460 -0.950 0.000 0.988 1059 Y HN 0.063 nan 8.280 nan 0.000 0.518 1060 V N -0.730 118.919 119.914 -0.442 0.000 2.332 1060 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 1060 V C 2.300 177.995 176.094 -0.666 0.000 1.055 1060 V CA 1.865 63.734 62.300 -0.718 0.000 1.038 1060 V CB -0.918 30.148 31.823 -1.262 0.000 0.651 1060 V HN 0.360 nan 8.190 nan 0.000 0.450 1061 V N -0.096 119.539 119.914 -0.466 0.000 2.407 1061 V HA -0.293 3.826 4.120 -0.000 0.000 0.248 1061 V C 2.404 178.366 176.094 -0.220 0.000 1.055 1061 V CA 2.322 64.461 62.300 -0.269 0.000 1.049 1061 V CB -0.740 30.978 31.823 -0.175 0.000 0.662 1061 V HN 0.579 nan 8.190 nan 0.000 0.455 1062 K N 0.059 120.239 120.400 -0.368 0.000 2.057 1062 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 1062 K C 2.008 178.441 176.600 -0.278 0.000 1.049 1062 K CA 1.754 57.823 56.287 -0.363 0.000 0.931 1062 K CB -0.100 32.049 32.500 -0.584 0.000 0.714 1062 K HN 0.365 nan 8.250 nan 0.000 0.440 1063 V N 0.642 120.295 119.914 -0.435 0.000 2.407 1063 V HA -0.150 3.969 4.120 -0.000 0.000 0.245 1063 V C 2.054 178.205 176.094 0.095 0.000 1.041 1063 V CA 1.258 63.424 62.300 -0.224 0.000 1.040 1063 V CB -0.537 31.085 31.823 -0.334 0.000 0.671 1063 V HN 0.187 nan 8.190 nan 0.000 0.455 1064 F N 1.209 121.060 119.950 -0.164 0.000 2.134 1064 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 1064 F C 2.659 178.430 175.800 -0.048 0.000 1.097 1064 F CA 1.540 59.503 58.000 -0.062 0.000 1.264 1064 F CB -1.085 37.900 39.000 -0.024 0.000 1.001 1064 F HN 0.063 nan 8.300 nan 0.000 0.479 1065 S N -0.062 115.717 115.700 0.132 0.000 2.507 1065 S HA -0.095 4.375 4.470 -0.000 0.000 0.235 1065 S C 2.028 176.648 174.600 0.033 0.000 0.988 1065 S CA 0.582 58.818 58.200 0.060 0.000 0.944 1065 S CB -0.335 62.877 63.200 0.021 0.000 0.762 1065 S HN 0.369 nan 8.310 nan 0.000 0.526 1066 L N 0.328 121.573 121.223 0.037 0.000 2.408 1066 L HA 0.316 4.656 4.340 -0.000 0.000 0.215 1066 L C 1.926 178.806 176.870 0.016 0.000 1.081 1066 L CA 0.409 55.255 54.840 0.010 0.000 0.840 1066 L CB -0.205 41.852 42.059 -0.003 0.000 1.002 1066 L HN 0.281 nan 8.230 nan 0.000 0.468 1067 A N -0.754 122.062 122.820 -0.007 0.000 2.251 1067 A HA 0.074 4.394 4.320 -0.000 0.000 0.209 1067 A C 1.908 179.436 177.584 -0.092 0.000 1.187 1067 A CA 0.735 52.738 52.037 -0.058 0.000 0.823 1067 A CB -0.614 18.302 19.000 -0.140 0.000 0.846 1067 A HN 0.361 nan 8.150 nan 0.000 0.486 1068 V N -2.217 117.664 119.914 -0.055 0.000 2.759 1068 V HA -0.137 3.982 4.120 -0.000 0.000 0.256 1068 V C 1.249 177.314 176.094 -0.049 0.000 1.080 1068 V CA 2.061 64.324 62.300 -0.061 0.000 1.101 1068 V CB -0.871 30.939 31.823 -0.020 0.000 0.698 1068 V HN 0.436 nan 8.190 nan 0.000 0.477 1069 N N 0.020 118.708 118.700 -0.019 0.000 2.336 1069 N HA 0.289 5.029 4.740 -0.000 0.000 0.189 1069 N C 1.283 176.778 175.510 -0.024 0.000 1.113 1069 N CA 0.725 53.768 53.050 -0.011 0.000 0.858 1069 N CB 0.477 38.978 38.487 0.023 0.000 0.970 1069 N HN 0.516 nan 8.380 nan 0.000 0.471 1070 L N -0.573 120.624 121.223 -0.043 0.000 2.515 1070 L HA 0.388 4.728 4.340 -0.000 0.000 0.202 1070 L C 1.007 177.820 176.870 -0.095 0.000 1.056 1070 L CA 0.308 55.115 54.840 -0.055 0.000 0.847 1070 L CB 0.092 42.131 42.059 -0.033 0.000 1.131 1070 L HN 0.018 nan 8.230 nan 0.000 0.484 1071 I N -2.976 117.511 120.570 -0.138 0.000 3.516 1071 I HA 0.759 4.928 4.170 -0.000 0.000 0.297 1071 I C -0.564 175.423 176.117 -0.217 0.000 1.139 1071 I CA -1.156 60.033 61.300 -0.184 0.000 1.020 1071 I CB 1.810 39.662 38.000 -0.246 0.000 1.341 1071 I HN -0.188 nan 8.210 nan 0.000 0.490 1072 A N 2.690 125.352 122.820 -0.263 0.000 2.252 1072 A HA 0.665 4.984 4.320 -0.000 0.000 0.309 1072 A C -0.524 176.818 177.584 -0.404 0.000 1.285 1072 A CA -0.393 51.500 52.037 -0.241 0.000 0.900 1072 A CB -0.061 18.848 19.000 -0.153 0.000 1.157 1072 A HN 0.463 nan 8.150 nan 0.000 0.536 1073 I N 2.700 123.102 120.570 -0.279 0.000 2.339 1073 I HA 0.183 4.353 4.170 -0.000 0.000 0.290 1073 I C -0.102 176.024 176.117 0.016 0.000 0.994 1073 I CA -0.632 60.532 61.300 -0.227 0.000 1.191 1073 I CB 1.350 39.286 38.000 -0.107 0.000 1.343 1073 I HN 0.626 nan 8.210 nan 0.000 0.458 1074 D N 4.062 124.565 120.400 0.171 0.000 2.401 1074 D HA 0.055 4.695 4.640 -0.000 0.000 0.254 1074 D C 1.057 177.457 176.300 0.167 0.000 1.192 1074 D CA 0.460 54.567 54.000 0.180 0.000 0.885 1074 D CB 1.097 42.042 40.800 0.240 0.000 1.147 1074 D HN 0.418 nan 8.370 nan 0.000 0.478 1075 S N 3.001 118.764 115.700 0.106 0.000 2.419 1075 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 1075 S C 1.695 176.354 174.600 0.097 0.000 1.016 1075 S CA 0.655 58.911 58.200 0.093 0.000 0.974 1075 S CB 0.003 63.240 63.200 0.061 0.000 0.786 1075 S HN 0.575 nan 8.310 nan 0.000 0.492 1076 Q N 0.576 120.433 119.800 0.094 0.000 2.167 1076 Q HA -0.011 4.328 4.340 -0.000 0.000 0.202 1076 Q C 2.339 178.394 176.000 0.092 0.000 0.970 1076 Q CA 0.959 56.810 55.803 0.079 0.000 0.855 1076 Q CB -0.502 28.275 28.738 0.064 0.000 0.911 1076 Q HN 0.476 nan 8.270 nan 0.000 0.438 1077 V N 0.580 120.577 119.914 0.139 0.000 2.331 1077 V HA -0.173 3.947 4.120 -0.000 0.000 0.242 1077 V C 2.242 178.443 176.094 0.179 0.000 1.034 1077 V CA 0.988 63.388 62.300 0.167 0.000 1.027 1077 V CB -0.638 31.347 31.823 0.270 0.000 0.667 1077 V HN 0.189 nan 8.190 nan 0.000 0.457 1078 L N 0.399 121.746 121.223 0.206 0.000 1.989 1078 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 1078 L C 2.335 179.269 176.870 0.106 0.000 1.071 1078 L CA 2.326 57.264 54.840 0.162 0.000 0.749 1078 L CB -0.872 41.296 42.059 0.181 0.000 0.890 1078 L HN 0.383 nan 8.230 nan 0.000 0.431 1079 c N -0.054 118.604 118.600 0.098 0.000 2.448 1079 c HA 0.075 4.645 4.570 -0.000 0.000 0.280 1079 c C 2.722 176.865 174.090 0.089 0.000 1.398 1079 c CA 0.243 56.620 56.329 0.080 0.000 1.774 1079 c CB -1.929 40.621 42.510 0.067 0.000 1.888 1079 c HN 0.764 nan 8.230 nan 0.000 0.519 1080 G N 0.767 109.621 108.800 0.089 0.000 2.418 1080 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.217 1080 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.217 1080 G C 1.851 176.820 174.900 0.115 0.000 1.158 1080 G CA 0.964 46.113 45.100 0.081 0.000 0.771 1080 G HN 0.587 nan 8.290 nan 0.000 0.545 1081 A N -0.039 122.855 122.820 0.124 0.000 1.968 1081 A HA 0.197 4.517 4.320 -0.000 0.000 0.217 1081 A C 2.551 180.273 177.584 0.231 0.000 1.169 1081 A CA 1.534 53.680 52.037 0.182 0.000 0.638 1081 A CB -0.347 18.781 19.000 0.213 0.000 0.812 1081 A HN 0.234 nan 8.150 nan 0.000 0.446 1082 V N 0.238 120.242 119.914 0.149 0.000 2.307 1082 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 1082 V C 2.495 178.678 176.094 0.149 0.000 1.045 1082 V CA 2.261 64.634 62.300 0.121 0.000 1.024 1082 V CB -0.598 31.268 31.823 0.072 0.000 0.651 1082 V HN 0.682 nan 8.190 nan 0.000 0.449 1083 K N -1.210 119.279 120.400 0.148 0.000 2.147 1083 K HA -0.261 4.059 4.320 -0.000 0.000 0.205 1083 K C 1.997 178.702 176.600 0.175 0.000 1.049 1083 K CA 1.851 58.219 56.287 0.134 0.000 0.936 1083 K CB -0.249 32.319 32.500 0.113 0.000 0.722 1083 K HN 0.586 nan 8.250 nan 0.000 0.446 1084 W N 1.341 122.668 121.300 0.045 0.000 2.379 1084 W HA -0.118 4.542 4.660 -0.000 0.000 0.307 1084 W C 1.379 177.949 176.519 0.084 0.000 1.200 1084 W CA 1.202 58.577 57.345 0.050 0.000 1.297 1084 W CB -0.237 29.244 29.460 0.035 0.000 1.140 1084 W HN -0.036 nan 8.180 nan 0.000 0.507 1085 L N 0.206 121.526 121.223 0.162 0.000 2.083 1085 L HA -0.243 4.097 4.340 -0.000 0.000 0.209 1085 L C 2.343 179.270 176.870 0.095 0.000 1.083 1085 L CA 1.384 56.245 54.840 0.037 0.000 0.752 1085 L CB -0.785 41.371 42.059 0.162 0.000 0.899 1085 L HN 0.067 nan 8.230 nan 0.000 0.433 1086 I N -0.580 120.051 120.570 0.101 0.000 2.141 1086 I HA -0.260 3.910 4.170 -0.000 0.000 0.236 1086 I C 2.357 178.443 176.117 -0.051 0.000 1.071 1086 I CA 1.237 62.581 61.300 0.073 0.000 1.345 1086 I CB -0.259 37.787 38.000 0.076 0.000 1.066 1086 I HN 0.149 nan 8.210 nan 0.000 0.406 1087 L N 0.059 121.248 121.223 -0.058 0.000 2.056 1087 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 1087 L C 2.627 179.406 176.870 -0.151 0.000 1.078 1087 L CA 1.150 55.942 54.840 -0.079 0.000 0.749 1087 L CB -0.529 41.512 42.059 -0.031 0.000 0.901 1087 L HN 0.272 nan 8.230 nan 0.000 0.433 1088 E N 0.199 120.234 120.200 -0.275 0.000 2.035 1088 E HA -0.000 4.350 4.350 -0.000 0.000 0.191 1088 E C 0.820 177.187 176.600 -0.387 0.000 0.966 1088 E CA 0.707 56.880 56.400 -0.378 0.000 0.823 1088 E CB 0.004 29.295 29.700 -0.681 0.000 0.791 1088 E HN 0.133 nan 8.360 nan 0.000 0.459 1089 K N 1.860 121.938 120.400 -0.536 0.000 2.758 1089 K HA 0.215 4.534 4.320 -0.000 0.000 0.250 1089 K C -0.248 176.235 176.600 -0.194 0.000 1.268 1089 K CA -0.017 56.064 56.287 -0.344 0.000 1.228 1089 K CB 0.151 32.401 32.500 -0.418 0.000 1.715 1089 K HN 0.172 nan 8.250 nan 0.000 0.334 1090 Q N 1.208 120.844 119.800 -0.274 0.000 2.331 1090 Q HA 0.179 4.519 4.340 -0.000 0.000 0.249 1090 Q C -1.196 174.609 176.000 -0.324 0.000 0.913 1090 Q CA -0.395 55.144 55.803 -0.441 0.000 0.874 1090 Q CB 1.454 29.859 28.738 -0.554 0.000 1.384 1090 Q HN 0.145 nan 8.270 nan 0.000 0.427 1091 K N 3.366 123.576 120.400 -0.317 0.000 2.138 1091 K HA 0.240 4.559 4.320 -0.000 0.000 0.251 1091 K C -1.827 174.644 176.600 -0.214 0.000 1.015 1091 K CA -1.704 54.450 56.287 -0.223 0.000 0.917 1091 K CB 0.571 32.956 32.500 -0.192 0.000 1.021 1091 K HN 0.355 nan 8.250 nan 0.000 0.485 1092 P HA -0.163 nan 4.420 nan 0.000 0.222 1092 P C -0.111 177.121 177.300 -0.114 0.000 1.142 1092 P CA 1.232 64.264 63.100 -0.113 0.000 0.788 1092 P CB 0.179 31.834 31.700 -0.076 0.000 0.767 1093 D N -1.645 118.669 120.400 -0.144 0.000 2.317 1093 D HA 0.044 4.683 4.640 -0.000 0.000 0.211 1093 D C 1.690 177.881 176.300 -0.183 0.000 0.966 1093 D CA 1.346 55.269 54.000 -0.130 0.000 0.876 1093 D CB -0.554 40.151 40.800 -0.157 0.000 0.927 1093 D HN 0.185 nan 8.370 nan 0.000 0.519 1094 G N -0.060 108.572 108.800 -0.281 0.000 2.141 1094 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.231 1094 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.231 1094 G C 0.187 174.757 174.900 -0.550 0.000 0.984 1094 G CA 0.182 45.079 45.100 -0.339 0.000 0.660 1094 G HN 0.282 nan 8.290 nan 0.000 0.525 1095 V N 0.873 120.409 119.914 -0.629 0.000 2.481 1095 V HA 0.695 4.814 4.120 -0.000 0.000 0.286 1095 V C 0.272 176.036 176.094 -0.549 0.000 1.042 1095 V CA -0.591 61.322 62.300 -0.646 0.000 0.928 1095 V CB 1.150 32.547 31.823 -0.709 0.000 0.986 1095 V HN 0.205 nan 8.190 nan 0.000 0.462 1096 F N 3.036 122.903 119.950 -0.139 0.000 2.408 1096 F HA 0.543 5.070 4.527 -0.000 0.000 0.344 1096 F C 0.352 176.134 175.800 -0.030 0.000 1.112 1096 F CA -0.181 57.780 58.000 -0.064 0.000 1.096 1096 F CB 1.250 40.253 39.000 0.005 0.000 1.129 1096 F HN 0.432 nan 8.300 nan 0.000 0.486 1097 Q N 2.094 121.966 119.800 0.121 0.000 2.342 1097 Q HA 0.347 4.687 4.340 -0.000 0.000 0.267 1097 Q C -1.235 174.837 176.000 0.120 0.000 1.038 1097 Q CA -1.048 54.807 55.803 0.087 0.000 0.832 1097 Q CB 2.022 30.771 28.738 0.018 0.000 1.323 1097 Q HN 0.612 nan 8.270 nan 0.000 0.448 1098 E N 1.927 122.199 120.200 0.121 0.000 2.200 1098 E HA 0.122 4.472 4.350 -0.000 0.000 0.283 1098 E C -0.843 175.819 176.600 0.104 0.000 1.015 1098 E CA 0.060 56.542 56.400 0.136 0.000 0.819 1098 E CB 1.036 30.810 29.700 0.122 0.000 1.081 1098 E HN 0.580 nan 8.360 nan 0.000 0.397 1099 D N 3.046 123.522 120.400 0.126 0.000 2.394 1099 D HA 0.177 4.817 4.640 -0.000 0.000 0.226 1099 D C -0.272 176.090 176.300 0.102 0.000 0.990 1099 D CA 0.579 54.642 54.000 0.105 0.000 0.902 1099 D CB 0.446 41.317 40.800 0.118 0.000 1.038 1099 D HN 0.371 nan 8.370 nan 0.000 0.499 1100 A N 1.744 124.641 122.820 0.129 0.000 2.842 1100 A HA 0.516 4.835 4.320 -0.000 0.000 0.339 1100 A C -2.618 175.022 177.584 0.095 0.000 1.177 1100 A CA -1.275 50.827 52.037 0.108 0.000 0.797 1100 A CB 0.546 19.621 19.000 0.125 0.000 1.094 1100 A HN -0.155 nan 8.150 nan 0.000 0.474 1101 P HA 0.138 nan 4.420 nan 0.000 0.264 1101 P C 0.578 177.873 177.300 -0.009 0.000 1.183 1101 P CA 0.158 63.261 63.100 0.005 0.000 0.763 1101 P CB 0.642 32.325 31.700 -0.029 0.000 0.807 1102 V N 1.676 121.560 119.914 -0.049 0.000 2.872 1102 V HA -0.022 4.097 4.120 -0.000 0.000 0.307 1102 V C 1.437 177.489 176.094 -0.071 0.000 1.072 1102 V CA 0.114 62.386 62.300 -0.045 0.000 1.148 1102 V CB -0.348 31.426 31.823 -0.082 0.000 0.954 1102 V HN 0.334 nan 8.190 nan 0.000 0.490 1103 I N 2.002 122.545 120.570 -0.045 0.000 2.179 1103 I HA -0.117 4.052 4.170 -0.000 0.000 0.242 1103 I C 1.713 177.716 176.117 -0.189 0.000 1.088 1103 I CA 1.272 62.505 61.300 -0.111 0.000 1.357 1103 I CB -0.881 37.037 38.000 -0.137 0.000 1.051 1103 I HN 0.701 nan 8.210 nan 0.000 0.409 1104 H N 3.285 122.292 119.070 -0.105 0.000 3.291 1104 H HA 0.096 4.652 4.556 -0.000 0.000 0.256 1104 H C 0.602 175.799 175.328 -0.219 0.000 1.315 1104 H CA -0.024 55.944 56.048 -0.133 0.000 1.521 1104 H CB 0.316 29.989 29.762 -0.147 0.000 1.621 1104 H HN 0.370 nan 8.280 nan 0.000 0.498 1105 Q N 1.759 121.488 119.800 -0.118 0.000 2.482 1105 Q HA -0.078 4.261 4.340 -0.000 0.000 0.209 1105 Q C 1.486 177.359 176.000 -0.212 0.000 0.961 1105 Q CA 0.433 56.123 55.803 -0.189 0.000 0.945 1105 Q CB 0.329 28.991 28.738 -0.125 0.000 1.012 1105 Q HN 0.752 nan 8.270 nan 0.000 0.515 1106 E N -0.351 119.726 120.200 -0.205 0.000 2.452 1106 E HA -0.064 4.285 4.350 -0.000 0.000 0.197 1106 E C 1.603 178.017 176.600 -0.310 0.000 1.022 1106 E CA 0.180 56.416 56.400 -0.274 0.000 0.890 1106 E CB -0.212 29.210 29.700 -0.462 0.000 0.918 1106 E HN 0.439 nan 8.360 nan 0.000 0.496 1107 M N 0.299 119.710 119.600 -0.314 0.000 2.556 1107 M HA 0.259 4.738 4.480 -0.000 0.000 0.245 1107 M C 1.961 178.045 176.300 -0.361 0.000 1.128 1107 M CA 0.648 55.772 55.300 -0.293 0.000 1.069 1107 M CB -0.534 31.905 32.600 -0.268 0.000 1.469 1107 M HN 0.074 nan 8.290 nan 0.000 0.494 1108 I N -2.329 117.884 120.570 -0.595 0.000 3.578 1108 I HA 0.466 4.636 4.170 -0.000 0.000 0.295 1108 I C 1.333 177.259 176.117 -0.318 0.000 1.280 1108 I CA 0.320 61.156 61.300 -0.772 0.000 1.347 1108 I CB -0.715 36.576 38.000 -1.180 0.000 1.051 1108 I HN 0.462 nan 8.210 nan 0.000 0.460 1109 G N 2.179 110.802 108.800 -0.294 0.000 2.601 1109 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.306 1109 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.306 1109 G C 0.914 175.429 174.900 -0.641 0.000 1.172 1109 G CA 0.229 45.132 45.100 -0.329 0.000 0.966 1109 G HN 0.670 nan 8.290 nan 0.000 0.542 1110 G N -0.515 107.963 108.800 -0.537 0.000 3.181 1110 G HA2 0.440 4.400 3.960 -0.000 0.000 0.219 1110 G HA3 0.440 4.400 3.960 -0.000 0.000 0.219 1110 G C 1.091 175.712 174.900 -0.465 0.000 1.182 1110 G CA 0.981 45.530 45.100 -0.918 0.000 0.791 1110 G HN 0.553 nan 8.290 nan 0.000 0.537 1111 L N -0.639 120.446 121.223 -0.231 0.000 2.640 1111 L HA 0.394 4.733 4.340 -0.000 0.000 0.230 1111 L C 2.372 179.161 176.870 -0.135 0.000 1.123 1111 L CA 0.115 54.877 54.840 -0.130 0.000 0.900 1111 L CB -0.027 41.927 42.059 -0.175 0.000 1.146 1111 L HN 0.129 nan 8.230 nan 0.000 0.484 1112 R N 0.467 120.899 120.500 -0.113 0.000 2.070 1112 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 1112 R C 0.843 177.136 176.300 -0.011 0.000 1.138 1112 R CA 1.145 57.208 56.100 -0.061 0.000 0.936 1112 R CB -0.038 30.276 30.300 0.023 0.000 0.839 1112 R HN 0.249 nan 8.270 nan 0.000 0.429 1113 N N 1.861 120.587 118.700 0.044 0.000 2.405 1113 N HA -0.052 4.688 4.740 -0.000 0.000 0.260 1113 N C -1.600 173.901 175.510 -0.015 0.000 1.152 1113 N CA -0.206 52.830 53.050 -0.024 0.000 0.948 1113 N CB 0.480 38.900 38.487 -0.112 0.000 1.111 1113 N HN 0.252 nan 8.380 nan 0.000 0.485 1114 N N 2.414 121.106 118.700 -0.012 0.000 2.955 1114 N HA 0.085 4.825 4.740 -0.000 0.000 0.242 1114 N C 0.003 175.523 175.510 0.017 0.000 1.123 1114 N CA -0.556 52.500 53.050 0.010 0.000 0.949 1114 N CB 0.511 39.004 38.487 0.010 0.000 1.214 1114 N HN 0.385 nan 8.380 nan 0.000 0.504 1115 N N 1.822 120.535 118.700 0.021 0.000 2.416 1115 N HA -0.057 4.683 4.740 -0.000 0.000 0.177 1115 N C -0.611 174.925 175.510 0.042 0.000 1.036 1115 N CA 0.831 53.894 53.050 0.022 0.000 0.901 1115 N CB 0.316 38.810 38.487 0.013 0.000 0.976 1115 N HN 0.622 nan 8.380 nan 0.000 0.444 1116 E N -0.427 119.812 120.200 0.065 0.000 3.909 1116 E HA 0.065 4.415 4.350 -0.000 0.000 0.236 1116 E C 0.011 176.682 176.600 0.119 0.000 1.222 1116 E CA -0.206 56.247 56.400 0.088 0.000 1.205 1116 E CB 1.080 30.832 29.700 0.087 0.000 1.249 1116 E HN -0.016 nan 8.360 nan 0.000 0.411 1117 K N 1.064 121.525 120.400 0.101 0.000 2.074 1117 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 1117 K C 1.137 177.829 176.600 0.153 0.000 1.048 1117 K CA 1.944 58.296 56.287 0.108 0.000 0.926 1117 K CB 0.093 32.638 32.500 0.075 0.000 0.713 1117 K HN 0.158 nan 8.250 nan 0.000 0.444 1118 D N -0.285 120.218 120.400 0.171 0.000 2.084 1118 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 1118 D C 1.886 178.398 176.300 0.354 0.000 0.990 1118 D CA 1.357 55.494 54.000 0.229 0.000 0.826 1118 D CB -0.151 40.819 40.800 0.285 0.000 0.971 1118 D HN 0.194 nan 8.370 nan 0.000 0.453 1119 M N 0.543 120.355 119.600 0.354 0.000 2.159 1119 M HA -0.042 4.438 4.480 -0.000 0.000 0.263 1119 M C 2.262 178.733 176.300 0.286 0.000 1.063 1119 M CA 0.832 56.337 55.300 0.343 0.000 1.110 1119 M CB -1.077 31.625 32.600 0.171 0.000 1.374 1119 M HN -0.019 nan 8.290 nan 0.000 0.411 1120 A N 0.324 123.288 122.820 0.241 0.000 1.841 1120 A HA -0.136 4.184 4.320 -0.000 0.000 0.214 1120 A C 2.209 179.960 177.584 0.278 0.000 1.195 1120 A CA 1.339 53.521 52.037 0.242 0.000 0.611 1120 A CB -1.047 18.101 19.000 0.246 0.000 0.835 1120 A HN 0.395 nan 8.150 nan 0.000 0.443 1121 L N 0.039 121.420 121.223 0.265 0.000 2.042 1121 L HA -0.125 4.214 4.340 -0.000 0.000 0.210 1121 L C 2.407 179.475 176.870 0.329 0.000 1.076 1121 L CA 2.868 57.886 54.840 0.297 0.000 0.749 1121 L CB -1.170 41.035 42.059 0.244 0.000 0.893 1121 L HN 0.395 nan 8.230 nan 0.000 0.432 1122 T N -0.213 114.542 114.554 0.335 0.000 2.833 1122 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 1122 T C 1.855 176.756 174.700 0.334 0.000 1.054 1122 T CA 1.257 63.604 62.100 0.411 0.000 1.135 1122 T CB -0.444 68.632 68.868 0.346 0.000 0.869 1122 T HN 0.534 nan 8.240 nan 0.000 0.466 1123 A N 0.562 123.554 122.820 0.288 0.000 1.930 1123 A HA 0.118 4.438 4.320 -0.000 0.000 0.215 1123 A C 1.960 179.645 177.584 0.167 0.000 1.176 1123 A CA 0.788 52.947 52.037 0.204 0.000 0.632 1123 A CB -0.798 18.305 19.000 0.171 0.000 0.819 1123 A HN 0.474 nan 8.150 nan 0.000 0.445 1124 F N 0.809 120.806 119.950 0.078 0.000 2.075 1124 F HA -0.158 4.369 4.527 -0.000 0.000 0.297 1124 F C 2.222 177.999 175.800 -0.038 0.000 1.113 1124 F CA 2.138 60.180 58.000 0.070 0.000 1.218 1124 F CB -0.208 38.886 39.000 0.157 0.000 0.984 1124 F HN 0.026 nan 8.300 nan 0.000 0.472 1125 V N 0.479 120.411 119.914 0.030 0.000 2.407 1125 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 1125 V C 2.296 178.149 176.094 -0.403 0.000 1.055 1125 V CA 1.605 63.697 62.300 -0.346 0.000 1.049 1125 V CB -0.854 30.464 31.823 -0.843 0.000 0.662 1125 V HN 0.432 nan 8.190 nan 0.000 0.455 1126 L N 0.210 121.302 121.223 -0.217 0.000 2.017 1126 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 1126 L C 2.201 179.010 176.870 -0.102 0.000 1.073 1126 L CA 1.927 56.723 54.840 -0.073 0.000 0.745 1126 L CB -0.546 41.559 42.059 0.076 0.000 0.894 1126 L HN 0.229 nan 8.230 nan 0.000 0.432 1127 I N -1.091 119.413 120.570 -0.110 0.000 2.208 1127 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 1127 I C 2.343 178.375 176.117 -0.142 0.000 1.097 1127 I CA 1.390 62.630 61.300 -0.100 0.000 1.363 1127 I CB -0.528 37.479 38.000 0.012 0.000 1.051 1127 I HN 0.230 nan 8.210 nan 0.000 0.413 1128 S N 0.981 116.533 115.700 -0.248 0.000 2.382 1128 S HA -0.100 4.369 4.470 -0.000 0.000 0.228 1128 S C 1.988 176.494 174.600 -0.156 0.000 1.027 1128 S CA 1.197 59.246 58.200 -0.251 0.000 0.991 1128 S CB -0.314 62.672 63.200 -0.358 0.000 0.823 1128 S HN 0.361 nan 8.310 nan 0.000 0.469 1129 L N 1.158 122.297 121.223 -0.140 0.000 2.093 1129 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 1129 L C 2.563 179.401 176.870 -0.052 0.000 1.085 1129 L CA 1.109 55.903 54.840 -0.077 0.000 0.755 1129 L CB -0.575 41.455 42.059 -0.048 0.000 0.904 1129 L HN 0.349 nan 8.230 nan 0.000 0.435 1130 Q N -0.086 119.675 119.800 -0.065 0.000 2.369 1130 Q HA -0.147 4.192 4.340 -0.000 0.000 0.206 1130 Q C 1.628 177.599 176.000 -0.048 0.000 0.963 1130 Q CA 0.858 56.626 55.803 -0.059 0.000 0.894 1130 Q CB 0.062 28.745 28.738 -0.090 0.000 0.965 1130 Q HN 0.572 nan 8.270 nan 0.000 0.475 1131 E N 0.024 120.195 120.200 -0.048 0.000 2.435 1131 E HA 0.027 4.377 4.350 -0.000 0.000 0.195 1131 E C 0.927 177.516 176.600 -0.017 0.000 1.029 1131 E CA 0.474 56.858 56.400 -0.026 0.000 0.865 1131 E CB 0.363 30.048 29.700 -0.025 0.000 0.833 1131 E HN 0.229 nan 8.360 nan 0.000 0.510 1132 A N 0.829 123.636 122.820 -0.022 0.000 2.538 1132 A HA 0.112 4.432 4.320 -0.000 0.000 0.269 1132 A C 1.618 179.203 177.584 0.001 0.000 1.231 1132 A CA -0.308 51.727 52.037 -0.004 0.000 0.948 1132 A CB 0.103 19.101 19.000 -0.004 0.000 1.110 1132 A HN -0.024 nan 8.150 nan 0.000 0.529 1133 K N 0.559 120.955 120.400 -0.006 0.000 2.057 1133 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 1133 K C 0.610 177.211 176.600 0.002 0.000 1.050 1133 K CA 1.776 58.062 56.287 -0.003 0.000 0.935 1133 K CB -0.063 32.430 32.500 -0.011 0.000 0.715 1133 K HN 0.292 nan 8.250 nan 0.000 0.439 1134 D N 0.490 120.891 120.400 0.001 0.000 2.310 1134 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 1134 D C 1.717 178.022 176.300 0.009 0.000 0.965 1134 D CA 0.898 54.901 54.000 0.004 0.000 0.879 1134 D CB 0.115 40.917 40.800 0.003 0.000 0.921 1134 D HN 0.362 nan 8.370 nan 0.000 0.510 1135 I N -0.538 120.040 120.570 0.013 0.000 2.685 1135 I HA -0.077 4.093 4.170 -0.000 0.000 0.251 1135 I C 1.266 177.397 176.117 0.023 0.000 1.102 1135 I CA 0.397 61.709 61.300 0.019 0.000 1.442 1135 I CB 0.186 38.202 38.000 0.026 0.000 1.194 1135 I HN -0.091 nan 8.210 nan 0.000 0.448 1136 c N 1.521 120.136 118.600 0.025 0.000 2.377 1136 c HA 0.066 4.636 4.570 -0.000 0.000 0.341 1136 c C 2.136 176.240 174.090 0.024 0.000 1.304 1136 c CA -0.154 56.193 56.329 0.030 0.000 1.690 1136 c CB -1.969 40.562 42.510 0.036 0.000 1.808 1136 c HN 0.459 nan 8.230 nan 0.000 0.592 1137 E N 1.148 121.358 120.200 0.018 0.000 2.371 1137 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 1137 E C 2.040 178.649 176.600 0.015 0.000 1.012 1137 E CA 0.794 57.203 56.400 0.014 0.000 0.860 1137 E CB 0.263 29.969 29.700 0.009 0.000 0.811 1137 E HN 0.627 nan 8.360 nan 0.000 0.502 1138 E N 0.351 120.561 120.200 0.017 0.000 2.075 1138 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 1138 E C 1.800 178.412 176.600 0.020 0.000 0.969 1138 E CA 1.215 57.625 56.400 0.017 0.000 0.815 1138 E CB 0.135 29.844 29.700 0.016 0.000 0.776 1138 E HN 0.242 nan 8.360 nan 0.000 0.457 1139 Q N -0.238 119.577 119.800 0.025 0.000 1.990 1139 Q HA 0.116 4.456 4.340 -0.000 0.000 0.195 1139 Q C 0.203 176.220 176.000 0.029 0.000 0.977 1139 Q CA 0.809 56.629 55.803 0.028 0.000 0.828 1139 Q CB 0.060 28.819 28.738 0.035 0.000 0.896 1139 Q HN 0.061 nan 8.270 nan 0.000 0.447 1140 V N 4.084 124.018 119.914 0.033 0.000 2.425 1140 V HA -0.079 4.040 4.120 -0.000 0.000 0.276 1140 V C 0.765 176.875 176.094 0.026 0.000 1.017 1140 V CA 0.280 62.600 62.300 0.034 0.000 1.062 1140 V CB 0.194 32.042 31.823 0.041 0.000 0.997 1140 V HN 0.487 nan 8.190 nan 0.000 0.476 1141 N N 3.275 121.988 118.700 0.022 0.000 2.392 1141 N HA -0.081 4.659 4.740 -0.000 0.000 0.177 1141 N C 1.378 176.897 175.510 0.014 0.000 1.066 1141 N CA 0.857 53.917 53.050 0.016 0.000 0.895 1141 N CB 0.002 38.497 38.487 0.014 0.000 0.988 1141 N HN 0.622 nan 8.380 nan 0.000 0.457 1142 S N -0.540 115.170 115.700 0.017 0.000 2.597 1142 S HA 0.188 4.658 4.470 -0.000 0.000 0.224 1142 S C 1.409 176.022 174.600 0.020 0.000 0.955 1142 S CA -0.567 57.642 58.200 0.014 0.000 0.933 1142 S CB -0.282 62.925 63.200 0.010 0.000 0.788 1142 S HN 0.152 nan 8.310 nan 0.000 0.488 1143 L N 2.627 123.865 121.223 0.025 0.000 2.005 1143 L HA 0.220 4.560 4.340 -0.000 0.000 0.207 1143 L C -1.171 175.714 176.870 0.025 0.000 1.072 1143 L CA 1.593 56.452 54.840 0.031 0.000 0.744 1143 L CB -1.342 40.734 42.059 0.028 0.000 0.895 1143 L HN 0.113 nan 8.230 nan 0.000 0.433 1144 P HA -0.108 nan 4.420 nan 0.000 0.216 1144 P C 1.606 178.911 177.300 0.009 0.000 1.150 1144 P CA 1.821 64.926 63.100 0.009 0.000 0.837 1144 P CB -0.395 31.308 31.700 0.004 0.000 0.786 1145 G N -0.801 108.004 108.800 0.007 0.000 2.402 1145 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 1145 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 1145 G C 1.873 176.775 174.900 0.004 0.000 1.162 1145 G CA 1.058 46.160 45.100 0.002 0.000 0.777 1145 G HN 0.313 nan 8.290 nan 0.000 0.539 1146 S N 0.191 115.900 115.700 0.015 0.000 2.368 1146 S HA -0.040 4.429 4.470 -0.000 0.000 0.224 1146 S C 2.425 177.059 174.600 0.056 0.000 1.029 1146 S CA 0.972 59.189 58.200 0.027 0.000 0.988 1146 S CB -0.293 62.947 63.200 0.066 0.000 0.838 1146 S HN 0.364 nan 8.310 nan 0.000 0.462 1147 I N 1.112 121.715 120.570 0.055 0.000 2.264 1147 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 1147 I C 2.485 178.625 176.117 0.038 0.000 1.111 1147 I CA 1.503 62.834 61.300 0.052 0.000 1.382 1147 I CB -0.814 37.200 38.000 0.022 0.000 1.060 1147 I HN 0.345 nan 8.210 nan 0.000 0.418 1148 T N 0.523 115.089 114.554 0.021 0.000 2.812 1148 T HA -0.097 4.253 4.350 -0.000 0.000 0.264 1148 T C 1.956 176.670 174.700 0.024 0.000 1.042 1148 T CA 0.841 62.949 62.100 0.014 0.000 1.140 1148 T CB -0.037 68.833 68.868 0.004 0.000 0.870 1148 T HN 0.164 nan 8.240 nan 0.000 0.445 1149 K N 1.832 122.241 120.400 0.016 0.000 2.009 1149 K HA 0.029 4.349 4.320 -0.000 0.000 0.210 1149 K C 2.619 179.246 176.600 0.044 0.000 1.049 1149 K CA 1.529 57.819 56.287 0.006 0.000 0.929 1149 K CB -0.982 31.491 32.500 -0.046 0.000 0.714 1149 K HN 0.369 nan 8.250 nan 0.000 0.440 1150 A N 1.001 123.857 122.820 0.061 0.000 1.933 1150 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 1150 A C 2.492 180.190 177.584 0.191 0.000 1.175 1150 A CA 2.108 54.233 52.037 0.146 0.000 0.628 1150 A CB -1.054 18.088 19.000 0.237 0.000 0.814 1150 A HN 0.412 nan 8.150 nan 0.000 0.444 1151 G N -0.004 108.862 108.800 0.109 0.000 2.421 1151 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 1151 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 1151 G C 1.072 176.011 174.900 0.065 0.000 1.171 1151 G CA 1.185 46.323 45.100 0.065 0.000 0.775 1151 G HN 0.466 nan 8.290 nan 0.000 0.543 1152 D N -0.039 120.404 120.400 0.072 0.000 2.182 1152 D HA -0.113 4.526 4.640 -0.000 0.000 0.201 1152 D C 1.885 178.244 176.300 0.099 0.000 0.986 1152 D CA 0.553 54.590 54.000 0.062 0.000 0.847 1152 D CB -0.333 40.500 40.800 0.056 0.000 0.942 1152 D HN 0.347 nan 8.370 nan 0.000 0.467 1153 F N 1.170 121.126 119.950 0.009 0.000 2.084 1153 F HA -0.057 4.470 4.527 -0.000 0.000 0.296 1153 F C 2.032 177.860 175.800 0.047 0.000 1.111 1153 F CA 1.086 59.099 58.000 0.023 0.000 1.224 1153 F CB -0.358 38.654 39.000 0.019 0.000 0.991 1153 F HN -0.138 nan 8.300 nan 0.000 0.471 1154 L N 0.242 121.449 121.223 -0.026 0.000 2.083 1154 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 1154 L C 2.464 179.287 176.870 -0.078 0.000 1.083 1154 L CA 1.933 56.714 54.840 -0.098 0.000 0.752 1154 L CB -0.907 41.209 42.059 0.094 0.000 0.899 1154 L HN 0.296 nan 8.230 nan 0.000 0.433 1155 E N 0.430 120.595 120.200 -0.059 0.000 2.268 1155 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 1155 E C 1.985 178.562 176.600 -0.039 0.000 0.995 1155 E CA 0.830 57.199 56.400 -0.052 0.000 0.836 1155 E CB 0.135 29.800 29.700 -0.059 0.000 0.763 1155 E HN 0.462 nan 8.360 nan 0.000 0.491 1156 A N 0.423 123.190 122.820 -0.089 0.000 2.178 1156 A HA 0.049 4.369 4.320 -0.000 0.000 0.211 1156 A C 1.118 178.637 177.584 -0.109 0.000 1.157 1156 A CA 0.278 52.265 52.037 -0.083 0.000 0.780 1156 A CB 0.217 19.173 19.000 -0.074 0.000 0.828 1156 A HN 0.180 nan 8.150 nan 0.000 0.476 1157 N N -2.484 116.120 118.700 -0.160 0.000 2.118 1157 N HA 0.075 4.815 4.740 -0.000 0.000 0.226 1157 N C 0.614 176.089 175.510 -0.059 0.000 1.305 1157 N CA -0.124 52.835 53.050 -0.152 0.000 0.890 1157 N CB -0.136 38.163 38.487 -0.313 0.000 1.118 1157 N HN 0.483 nan 8.380 nan 0.000 0.511 1158 Y N 1.435 121.667 120.300 -0.113 0.000 2.421 1158 Y HA 0.067 4.617 4.550 -0.000 0.000 0.292 1158 Y C 1.643 177.533 175.900 -0.017 0.000 1.136 1158 Y CA 1.232 59.301 58.100 -0.052 0.000 1.255 1158 Y CB 0.254 38.690 38.460 -0.040 0.000 0.991 1158 Y HN -0.099 nan 8.280 nan 0.000 0.552 1159 M N -0.074 119.566 119.600 0.067 0.000 2.561 1159 M HA 0.024 4.504 4.480 -0.000 0.000 0.238 1159 M C 0.199 176.480 176.300 -0.032 0.000 1.131 1159 M CA 0.645 55.961 55.300 0.026 0.000 1.046 1159 M CB -0.484 32.146 32.600 0.050 0.000 1.532 1159 M HN 0.282 nan 8.290 nan 0.000 0.497 1160 N N 0.044 118.707 118.700 -0.061 0.000 2.171 1160 N HA 0.264 5.003 4.740 -0.000 0.000 0.212 1160 N C 0.200 175.669 175.510 -0.070 0.000 1.184 1160 N CA 0.026 53.044 53.050 -0.054 0.000 0.888 1160 N CB 0.956 39.418 38.487 -0.041 0.000 1.038 1160 N HN 0.291 nan 8.380 nan 0.000 0.517 1161 L N 0.775 121.925 121.223 -0.121 0.000 2.467 1161 L HA 0.088 4.428 4.340 -0.000 0.000 0.270 1161 L C 1.392 178.216 176.870 -0.076 0.000 1.205 1161 L CA 0.194 54.965 54.840 -0.114 0.000 0.828 1161 L CB 0.653 42.586 42.059 -0.210 0.000 1.101 1161 L HN -0.017 nan 8.230 nan 0.000 0.479 1162 Q N 0.937 120.715 119.800 -0.037 0.000 2.534 1162 Q HA 0.207 4.546 4.340 -0.000 0.000 0.252 1162 Q C 0.199 176.200 176.000 0.002 0.000 0.850 1162 Q CA 0.397 56.188 55.803 -0.020 0.000 0.974 1162 Q CB 0.527 29.258 28.738 -0.011 0.000 1.205 1162 Q HN 0.534 nan 8.270 nan 0.000 0.593 1163 R N 0.944 121.462 120.500 0.029 0.000 2.438 1163 R HA 0.253 4.593 4.340 -0.000 0.000 0.287 1163 R C 1.156 177.520 176.300 0.107 0.000 1.077 1163 R CA -0.006 56.138 56.100 0.074 0.000 1.034 1163 R CB 0.719 31.087 30.300 0.112 0.000 0.993 1163 R HN 0.017 nan 8.270 nan 0.000 0.459 1164 S N 1.777 117.557 115.700 0.134 0.000 2.419 1164 S HA -0.191 4.279 4.470 -0.000 0.000 0.233 1164 S C 1.454 176.207 174.600 0.255 0.000 1.016 1164 S CA 1.017 59.337 58.200 0.199 0.000 0.974 1164 S CB -0.236 63.075 63.200 0.186 0.000 0.786 1164 S HN 0.648 nan 8.310 nan 0.000 0.492 1165 Y N 2.690 123.070 120.300 0.133 0.000 2.133 1165 Y HA -0.197 4.353 4.550 -0.000 0.000 0.287 1165 Y C 2.573 178.520 175.900 0.079 0.000 1.134 1165 Y CA 1.953 60.127 58.100 0.124 0.000 1.133 1165 Y CB -0.940 37.606 38.460 0.142 0.000 0.987 1165 Y HN 0.158 nan 8.280 nan 0.000 0.502 1166 T N -0.142 114.538 114.554 0.209 0.000 2.759 1166 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 1166 T C 2.010 176.719 174.700 0.014 0.000 1.042 1166 T CA 1.621 63.778 62.100 0.095 0.000 1.140 1166 T CB -0.733 68.215 68.868 0.132 0.000 0.864 1166 T HN 0.232 nan 8.240 nan 0.000 0.455 1167 V N 1.494 121.422 119.914 0.022 0.000 2.407 1167 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 1167 V C 2.808 179.054 176.094 0.252 0.000 1.055 1167 V CA 1.654 63.974 62.300 0.033 0.000 1.049 1167 V CB -1.115 30.739 31.823 0.051 0.000 0.662 1167 V HN 0.544 nan 8.190 nan 0.000 0.455 1168 A N -0.325 122.540 122.820 0.075 0.000 1.874 1168 A HA -0.092 4.228 4.320 -0.000 0.000 0.214 1168 A C 2.233 179.823 177.584 0.010 0.000 1.189 1168 A CA 1.648 53.695 52.037 0.017 0.000 0.615 1168 A CB -0.446 18.392 19.000 -0.270 0.000 0.830 1168 A HN 0.474 nan 8.150 nan 0.000 0.443 1169 I N -0.734 119.681 120.570 -0.258 0.000 2.394 1169 I HA -0.156 4.013 4.170 -0.000 0.000 0.251 1169 I C 2.403 178.498 176.117 -0.037 0.000 1.136 1169 I CA 1.263 62.327 61.300 -0.394 0.000 1.425 1169 I CB -0.045 37.509 38.000 -0.743 0.000 1.079 1169 I HN 0.306 nan 8.210 nan 0.000 0.425 1170 A N 0.225 123.092 122.820 0.078 0.000 1.975 1170 A HA 0.081 4.401 4.320 -0.000 0.000 0.215 1170 A C 2.276 179.955 177.584 0.158 0.000 1.170 1170 A CA 1.019 53.166 52.037 0.184 0.000 0.656 1170 A CB -1.099 18.081 19.000 0.300 0.000 0.821 1170 A HN 0.482 nan 8.150 nan 0.000 0.449 1171 G N -1.448 107.488 108.800 0.227 0.000 2.402 1171 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.216 1171 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.216 1171 G C 1.508 176.251 174.900 -0.261 0.000 1.162 1171 G CA 1.239 46.259 45.100 -0.133 0.000 0.777 1171 G HN 0.557 nan 8.290 nan 0.000 0.539 1172 Y N 2.033 122.222 120.300 -0.186 0.000 2.373 1172 Y HA 0.199 4.749 4.550 -0.000 0.000 0.293 1172 Y C 2.727 178.571 175.900 -0.093 0.000 1.129 1172 Y CA 0.706 58.727 58.100 -0.133 0.000 1.226 1172 Y CB -0.228 38.250 38.460 0.030 0.000 1.000 1172 Y HN 0.232 nan 8.280 nan 0.000 0.549 1173 A N 0.031 122.767 122.820 -0.140 0.000 1.929 1173 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 1173 A C 2.142 179.596 177.584 -0.217 0.000 1.176 1173 A CA 1.606 53.530 52.037 -0.189 0.000 0.628 1173 A CB -0.878 18.103 19.000 -0.031 0.000 0.816 1173 A HN 0.509 nan 8.150 nan 0.000 0.444 1174 L N -1.172 119.917 121.223 -0.225 0.000 2.341 1174 L HA 0.012 4.351 4.340 -0.000 0.000 0.214 1174 L C 2.886 179.593 176.870 -0.271 0.000 1.115 1174 L CA 0.631 55.324 54.840 -0.246 0.000 0.820 1174 L CB -0.383 41.480 42.059 -0.328 0.000 0.944 1174 L HN 0.401 nan 8.230 nan 0.000 0.452 1175 A N -0.117 122.514 122.820 -0.317 0.000 1.930 1175 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 1175 A C 2.184 179.615 177.584 -0.254 0.000 1.175 1175 A CA 1.147 53.011 52.037 -0.287 0.000 0.627 1175 A CB -0.318 18.517 19.000 -0.275 0.000 0.815 1175 A HN 0.438 nan 8.150 nan 0.000 0.443 1176 Q N -1.030 118.571 119.800 -0.332 0.000 2.364 1176 Q HA -0.005 4.335 4.340 -0.000 0.000 0.207 1176 Q C 1.640 177.534 176.000 -0.177 0.000 0.970 1176 Q CA 1.270 56.906 55.803 -0.278 0.000 0.888 1176 Q CB -0.191 28.329 28.738 -0.362 0.000 0.951 1176 Q HN 0.736 nan 8.270 nan 0.000 0.469 1177 M N -1.656 117.844 119.600 -0.168 0.000 2.382 1177 M HA 0.191 4.671 4.480 -0.000 0.000 0.247 1177 M C 0.968 177.203 176.300 -0.109 0.000 1.104 1177 M CA 0.495 55.723 55.300 -0.119 0.000 1.030 1177 M CB 0.834 33.371 32.600 -0.106 0.000 1.424 1177 M HN 0.283 nan 8.290 nan 0.000 0.486 1178 G N 1.957 110.678 108.800 -0.130 0.000 2.168 1178 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.257 1178 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.257 1178 G C 0.604 175.434 174.900 -0.116 0.000 0.997 1178 G CA 0.282 45.312 45.100 -0.115 0.000 0.708 1178 G HN 0.533 nan 8.290 nan 0.000 0.520 1179 R N -1.024 119.394 120.500 -0.137 0.000 2.480 1179 R HA 0.336 4.676 4.340 -0.000 0.000 0.277 1179 R C 0.507 176.700 176.300 -0.179 0.000 1.008 1179 R CA -0.303 55.718 56.100 -0.131 0.000 1.090 1179 R CB 0.333 30.564 30.300 -0.114 0.000 1.234 1179 R HN 0.281 nan 8.270 nan 0.000 0.549 1180 L N 1.620 122.718 121.223 -0.208 0.000 2.494 1180 L HA 0.305 4.645 4.340 -0.000 0.000 0.251 1180 L C -0.758 176.008 176.870 -0.174 0.000 1.119 1180 L CA 0.075 54.757 54.840 -0.264 0.000 1.026 1180 L CB -0.093 41.748 42.059 -0.362 0.000 1.370 1180 L HN -0.082 nan 8.230 nan 0.000 0.426 1181 K N 1.203 121.528 120.400 -0.125 0.000 2.409 1181 K HA 0.865 5.184 4.320 -0.000 0.000 0.252 1181 K C 0.502 177.075 176.600 -0.045 0.000 1.036 1181 K CA -0.648 55.595 56.287 -0.074 0.000 0.871 1181 K CB 1.329 33.792 32.500 -0.061 0.000 1.374 1181 K HN 0.385 nan 8.250 nan 0.000 0.459 1182 G N 0.927 109.713 108.800 -0.024 0.000 2.611 1182 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.301 1182 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.301 1182 G C -1.753 173.154 174.900 0.011 0.000 1.233 1182 G CA 0.277 45.372 45.100 -0.007 0.000 0.993 1182 G HN 0.509 nan 8.290 nan 0.000 0.553 1183 P HA -0.005 nan 4.420 nan 0.000 0.216 1183 P C 2.295 179.649 177.300 0.090 0.000 1.150 1183 P CA 1.606 64.733 63.100 0.045 0.000 0.837 1183 P CB -0.120 31.604 31.700 0.040 0.000 0.786 1184 L N -1.466 119.806 121.223 0.082 0.000 2.017 1184 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 1184 L C 2.371 179.329 176.870 0.147 0.000 1.073 1184 L CA 1.584 56.506 54.840 0.138 0.000 0.745 1184 L CB -1.796 40.215 42.059 -0.081 0.000 0.894 1184 L HN -0.041 nan 8.230 nan 0.000 0.432 1185 L N -0.234 121.013 121.223 0.040 0.000 2.083 1185 L HA -0.179 4.160 4.340 -0.000 0.000 0.209 1185 L C 2.266 179.221 176.870 0.141 0.000 1.083 1185 L CA 1.561 56.439 54.840 0.063 0.000 0.752 1185 L CB -0.896 41.158 42.059 -0.009 0.000 0.899 1185 L HN 0.357 nan 8.230 nan 0.000 0.433 1186 N N 0.124 118.882 118.700 0.097 0.000 2.142 1186 N HA -0.247 4.493 4.740 -0.000 0.000 0.186 1186 N C 1.938 177.506 175.510 0.096 0.000 1.023 1186 N CA 1.718 54.809 53.050 0.068 0.000 0.852 1186 N CB -0.150 38.361 38.487 0.040 0.000 0.998 1186 N HN 0.472 nan 8.380 nan 0.000 0.424 1187 K N -0.911 119.585 120.400 0.161 0.000 2.057 1187 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 1187 K C 2.035 178.770 176.600 0.224 0.000 1.050 1187 K CA 0.929 57.310 56.287 0.158 0.000 0.935 1187 K CB -0.406 32.194 32.500 0.168 0.000 0.715 1187 K HN 0.194 nan 8.250 nan 0.000 0.439 1188 F N 1.673 121.766 119.950 0.238 0.000 2.161 1188 F HA -0.164 4.362 4.527 -0.000 0.000 0.300 1188 F C 1.526 177.513 175.800 0.312 0.000 1.089 1188 F CA 1.394 59.588 58.000 0.322 0.000 1.282 1188 F CB -0.010 39.166 39.000 0.294 0.000 1.010 1188 F HN -0.024 nan 8.300 nan 0.000 0.485 1189 L N -0.429 120.833 121.223 0.065 0.000 2.095 1189 L HA -0.111 4.228 4.340 -0.000 0.000 0.204 1189 L C 2.572 179.280 176.870 -0.270 0.000 1.080 1189 L CA 1.502 56.198 54.840 -0.240 0.000 0.759 1189 L CB -1.260 40.613 42.059 -0.311 0.000 0.914 1189 L HN 0.252 nan 8.230 nan 0.000 0.439 1190 T N -4.581 109.887 114.554 -0.143 0.000 2.951 1190 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 1190 T C 1.790 176.378 174.700 -0.186 0.000 1.073 1190 T CA 1.420 63.437 62.100 -0.138 0.000 1.134 1190 T CB -0.585 68.240 68.868 -0.071 0.000 0.884 1190 T HN 0.143 nan 8.240 nan 0.000 0.479 1191 T N 2.504 116.952 114.554 -0.178 0.000 2.720 1191 T HA 0.148 4.498 4.350 -0.000 0.000 0.268 1191 T C 1.182 175.602 174.700 -0.466 0.000 1.037 1191 T CA 0.992 62.970 62.100 -0.203 0.000 1.144 1191 T CB -0.764 68.087 68.868 -0.028 0.000 0.864 1191 T HN 0.740 nan 8.240 nan 0.000 0.444 1192 A N 2.250 124.536 122.820 -0.890 0.000 2.522 1192 A HA 0.257 4.577 4.320 -0.000 0.000 0.256 1192 A C 0.386 177.586 177.584 -0.640 0.000 1.086 1192 A CA -0.107 51.167 52.037 -1.271 0.000 0.763 1192 A CB -0.133 17.686 19.000 -1.968 0.000 1.024 1192 A HN 0.390 nan 8.150 nan 0.000 0.502 1193 K N 2.429 122.516 120.400 -0.521 0.000 2.298 1193 K HA 0.188 4.508 4.320 -0.000 0.000 0.280 1193 K C -0.457 175.945 176.600 -0.330 0.000 1.032 1193 K CA 0.021 56.107 56.287 -0.336 0.000 0.958 1193 K CB 0.239 32.584 32.500 -0.259 0.000 0.978 1193 K HN 0.738 nan 8.250 nan 0.000 0.472 1194 D N 2.913 123.178 120.400 -0.226 0.000 3.077 1194 D HA -0.198 4.442 4.640 -0.000 0.000 0.217 1194 D C -0.849 175.319 176.300 -0.220 0.000 1.162 1194 D CA 1.337 55.224 54.000 -0.188 0.000 0.943 1194 D CB -0.870 39.823 40.800 -0.178 0.000 1.122 1194 D HN 0.861 nan 8.370 nan 0.000 0.413 1195 K N -1.084 119.169 120.400 -0.244 0.000 3.257 1195 K HA -0.267 4.053 4.320 -0.000 0.000 0.270 1195 K C 0.426 176.726 176.600 -0.500 0.000 0.984 1195 K CA 1.141 57.301 56.287 -0.211 0.000 0.739 1195 K CB -1.455 31.027 32.500 -0.030 0.000 1.351 1195 K HN 0.587 nan 8.250 nan 0.000 0.463 1196 N N -0.877 117.504 118.700 -0.532 0.000 1.872 1196 N HA -0.025 4.715 4.740 -0.000 0.000 0.223 1196 N C -0.533 174.627 175.510 -0.583 0.000 1.424 1196 N CA -0.156 52.615 53.050 -0.465 0.000 0.710 1196 N CB 0.353 38.652 38.487 -0.315 0.000 1.074 1196 N HN 0.478 nan 8.380 nan 0.000 0.544 1197 R N -1.064 118.959 120.500 -0.796 0.000 2.604 1197 R HA 0.309 4.649 4.340 -0.000 0.000 0.261 1197 R C -1.731 174.203 176.300 -0.609 0.000 1.080 1197 R CA -0.762 54.828 56.100 -0.850 0.000 0.917 1197 R CB 0.474 29.727 30.300 -1.746 0.000 1.252 1197 R HN -0.010 nan 8.270 nan 0.000 0.456 1198 W N 3.929 125.026 121.300 -0.339 0.000 1.928 1198 W HA 0.185 4.845 4.660 -0.000 0.000 0.341 1198 W C -0.257 176.202 176.519 -0.100 0.000 0.789 1198 W CA -0.334 56.904 57.345 -0.178 0.000 1.680 1198 W CB 0.844 30.241 29.460 -0.105 0.000 1.882 1198 W HN 0.685 nan 8.180 nan 0.000 0.315 1199 E N 0.588 120.774 120.200 -0.022 0.000 2.283 1199 E HA 0.361 4.710 4.350 -0.000 0.000 0.271 1199 E C -0.716 175.919 176.600 0.059 0.000 1.031 1199 E CA -0.525 55.899 56.400 0.039 0.000 0.868 1199 E CB 1.606 31.294 29.700 -0.020 0.000 1.094 1199 E HN -0.063 nan 8.360 nan 0.000 0.401 1200 D N 2.319 122.773 120.400 0.090 0.000 2.646 1200 D HA 0.266 4.906 4.640 -0.000 0.000 0.245 1200 D C -2.495 173.815 176.300 0.016 0.000 1.099 1200 D CA -1.958 52.073 54.000 0.051 0.000 0.849 1200 D CB 1.806 42.649 40.800 0.072 0.000 1.448 1200 D HN 0.268 nan 8.370 nan 0.000 0.489 1201 P HA 0.311 nan 4.420 nan 0.000 0.254 1201 P C -0.149 177.120 177.300 -0.051 0.000 1.186 1201 P CA 0.458 63.545 63.100 -0.022 0.000 0.868 1201 P CB 0.071 31.753 31.700 -0.029 0.000 0.856 1202 G N 1.877 110.654 108.800 -0.039 0.000 2.801 1202 G HA2 0.231 4.191 3.960 -0.000 0.000 0.648 1202 G HA3 0.231 4.191 3.960 -0.000 0.000 0.648 1202 G C -1.297 173.568 174.900 -0.057 0.000 1.415 1202 G CA -1.080 43.977 45.100 -0.072 0.000 0.887 1202 G HN 0.383 nan 8.290 nan 0.000 0.627 1203 K N -0.268 120.128 120.400 -0.005 0.000 0.847 1203 K HA -0.177 4.142 4.320 -0.000 0.000 0.800 1203 K C 1.096 177.775 176.600 0.132 0.000 2.306 1203 K CA 1.427 57.765 56.287 0.086 0.000 1.514 1203 K CB -0.902 31.694 32.500 0.159 0.000 2.737 1203 K HN 0.905 nan 8.250 nan 0.000 0.219 1204 Q N -0.380 119.511 119.800 0.151 0.000 2.477 1204 Q HA 0.101 4.440 4.340 -0.000 0.000 0.252 1204 Q C 1.825 177.860 176.000 0.059 0.000 0.869 1204 Q CA 0.306 56.163 55.803 0.090 0.000 0.969 1204 Q CB 0.100 28.858 28.738 0.032 0.000 1.144 1204 Q HN 0.418 nan 8.270 nan 0.000 0.577 1205 L N 0.409 121.676 121.223 0.073 0.000 2.081 1205 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 1205 L C 1.568 178.408 176.870 -0.050 0.000 1.080 1205 L CA 1.943 56.752 54.840 -0.053 0.000 0.754 1205 L CB -0.395 41.587 42.059 -0.130 0.000 0.893 1205 L HN 0.161 nan 8.230 nan 0.000 0.433 1206 Y N -0.674 119.631 120.300 0.008 0.000 2.516 1206 Y HA -0.036 4.514 4.550 -0.000 0.000 0.291 1206 Y C 2.288 178.292 175.900 0.172 0.000 1.131 1206 Y CA 0.792 58.899 58.100 0.013 0.000 1.281 1206 Y CB -0.611 37.791 38.460 -0.096 0.000 1.013 1206 Y HN 0.335 nan 8.280 nan 0.000 0.554 1207 N N -0.436 118.439 118.700 0.292 0.000 2.245 1207 N HA -0.093 4.647 4.740 -0.000 0.000 0.185 1207 N C 2.045 177.750 175.510 0.325 0.000 1.036 1207 N CA 1.267 54.500 53.050 0.305 0.000 0.857 1207 N CB -0.868 37.796 38.487 0.295 0.000 1.015 1207 N HN 0.088 nan 8.380 nan 0.000 0.436 1208 V N 1.885 121.913 119.914 0.190 0.000 2.332 1208 V HA -0.209 3.910 4.120 -0.000 0.000 0.248 1208 V C 2.353 178.529 176.094 0.137 0.000 1.055 1208 V CA 1.749 64.109 62.300 0.100 0.000 1.038 1208 V CB -0.536 31.120 31.823 -0.278 0.000 0.651 1208 V HN 0.408 nan 8.190 nan 0.000 0.450 1209 E N 0.243 120.543 120.200 0.168 0.000 2.051 1209 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 1209 E C 2.259 179.089 176.600 0.382 0.000 0.991 1209 E CA 1.367 57.937 56.400 0.283 0.000 0.799 1209 E CB -0.236 29.693 29.700 0.381 0.000 0.748 1209 E HN 0.558 nan 8.360 nan 0.000 0.449 1210 A N 0.357 123.418 122.820 0.401 0.000 1.865 1210 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 1210 A C 2.418 180.082 177.584 0.133 0.000 1.191 1210 A CA 2.182 54.365 52.037 0.244 0.000 0.623 1210 A CB -1.114 18.107 19.000 0.369 0.000 0.826 1210 A HN 0.362 nan 8.150 nan 0.000 0.444 1211 T N 0.181 114.865 114.554 0.217 0.000 2.833 1211 T HA -0.104 4.245 4.350 -0.000 0.000 0.269 1211 T C 2.200 176.926 174.700 0.043 0.000 1.054 1211 T CA 1.570 63.785 62.100 0.192 0.000 1.135 1211 T CB -0.295 68.813 68.868 0.400 0.000 0.869 1211 T HN 0.487 nan 8.240 nan 0.000 0.466 1212 S N 0.464 116.193 115.700 0.048 0.000 2.356 1212 S HA -0.073 4.397 4.470 -0.000 0.000 0.223 1212 S C 1.746 176.212 174.600 -0.223 0.000 1.032 1212 S CA 1.020 59.166 58.200 -0.090 0.000 1.005 1212 S CB -0.515 62.609 63.200 -0.127 0.000 0.867 1212 S HN 0.545 nan 8.310 nan 0.000 0.449 1213 Y N 1.752 121.930 120.300 -0.204 0.000 2.207 1213 Y HA -0.149 4.400 4.550 -0.000 0.000 0.287 1213 Y C 2.633 178.356 175.900 -0.295 0.000 1.156 1213 Y CA 0.881 58.801 58.100 -0.300 0.000 1.182 1213 Y CB -0.602 37.739 38.460 -0.198 0.000 0.979 1213 Y HN 0.283 nan 8.280 nan 0.000 0.521 1214 A N -0.495 122.201 122.820 -0.206 0.000 1.930 1214 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 1214 A C 2.126 179.624 177.584 -0.143 0.000 1.175 1214 A CA 1.442 53.265 52.037 -0.356 0.000 0.627 1214 A CB -0.943 17.007 19.000 -1.751 0.000 0.815 1214 A HN 0.415 nan 8.150 nan 0.000 0.443 1215 L N -0.099 121.036 121.223 -0.146 0.000 2.017 1215 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 1215 L C 2.191 179.048 176.870 -0.022 0.000 1.073 1215 L CA 1.678 56.506 54.840 -0.019 0.000 0.745 1215 L CB -0.611 41.435 42.059 -0.022 0.000 0.894 1215 L HN 0.388 nan 8.230 nan 0.000 0.432 1216 L N -0.648 120.468 121.223 -0.177 0.000 2.191 1216 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 1216 L C 2.574 179.469 176.870 0.041 0.000 1.103 1216 L CA 0.982 55.681 54.840 -0.235 0.000 0.769 1216 L CB -0.818 40.724 42.059 -0.862 0.000 0.908 1216 L HN 0.407 nan 8.230 nan 0.000 0.438 1217 A N 0.066 122.940 122.820 0.090 0.000 1.897 1217 A HA -0.088 4.231 4.320 -0.000 0.000 0.215 1217 A C 2.215 179.819 177.584 0.035 0.000 1.181 1217 A CA 0.981 53.106 52.037 0.145 0.000 0.620 1217 A CB -0.479 18.463 19.000 -0.096 0.000 0.821 1217 A HN 0.325 nan 8.150 nan 0.000 0.443 1218 L N -0.469 120.817 121.223 0.106 0.000 2.046 1218 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 1218 L C 2.453 179.283 176.870 -0.066 0.000 1.077 1218 L CA 1.049 55.949 54.840 0.099 0.000 0.747 1218 L CB -0.591 41.613 42.059 0.241 0.000 0.896 1218 L HN 0.355 nan 8.230 nan 0.000 0.432 1219 L N -0.681 120.537 121.223 -0.009 0.000 2.201 1219 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 1219 L C 2.582 179.423 176.870 -0.048 0.000 1.105 1219 L CA 0.730 55.548 54.840 -0.037 0.000 0.775 1219 L CB -0.390 41.759 42.059 0.150 0.000 0.913 1219 L HN 0.289 nan 8.230 nan 0.000 0.440 1220 Q N 0.637 120.443 119.800 0.009 0.000 2.172 1220 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 1220 Q C 1.912 177.868 176.000 -0.073 0.000 0.964 1220 Q CA 1.336 57.141 55.803 0.004 0.000 0.855 1220 Q CB -0.014 28.748 28.738 0.040 0.000 0.918 1220 Q HN 0.495 nan 8.270 nan 0.000 0.444 1221 L N -0.024 121.129 121.223 -0.116 0.000 2.591 1221 L HA 0.155 4.495 4.340 -0.000 0.000 0.228 1221 L C 0.216 176.973 176.870 -0.189 0.000 1.133 1221 L CA 0.167 54.928 54.840 -0.133 0.000 0.880 1221 L CB -0.060 41.927 42.059 -0.120 0.000 1.033 1221 L HN 0.157 nan 8.230 nan 0.000 0.450 1222 K N -0.174 120.020 120.400 -0.343 0.000 3.088 1222 K HA -0.235 4.085 4.320 -0.000 0.000 0.273 1222 K C 0.049 176.239 176.600 -0.684 0.000 1.111 1222 K CA 0.879 56.788 56.287 -0.630 0.000 0.803 1222 K CB -1.264 31.179 32.500 -0.095 0.000 1.226 1222 K HN 0.200 nan 8.250 nan 0.000 0.485 1223 D N 0.426 120.520 120.400 -0.510 0.000 2.631 1223 D HA 0.118 4.758 4.640 -0.000 0.000 0.227 1223 D C 0.173 176.383 176.300 -0.150 0.000 1.146 1223 D CA -0.475 53.404 54.000 -0.201 0.000 1.009 1223 D CB -0.292 40.490 40.800 -0.030 0.000 1.057 1223 D HN 0.126 nan 8.370 nan 0.000 0.509 1224 F N 0.230 120.256 119.950 0.126 0.000 2.795 1224 F HA 0.112 4.639 4.527 -0.000 0.000 0.303 1224 F C 1.437 177.318 175.800 0.136 0.000 1.186 1224 F CA -0.061 58.017 58.000 0.131 0.000 1.415 1224 F CB 0.157 39.200 39.000 0.071 0.000 1.106 1224 F HN 0.118 nan 8.300 nan 0.000 0.558 1225 D N -1.185 119.371 120.400 0.260 0.000 2.346 1225 D HA -0.028 4.612 4.640 -0.000 0.000 0.206 1225 D C 1.426 177.876 176.300 0.251 0.000 1.001 1225 D CA 0.645 54.778 54.000 0.222 0.000 0.871 1225 D CB -0.044 40.866 40.800 0.184 0.000 0.943 1225 D HN 0.300 nan 8.370 nan 0.000 0.518 1226 F N 0.113 120.131 119.950 0.113 0.000 2.728 1226 F HA 0.130 4.657 4.527 -0.000 0.000 0.314 1226 F C 1.555 177.438 175.800 0.139 0.000 1.094 1226 F CA 0.095 58.161 58.000 0.109 0.000 1.217 1226 F CB 0.482 39.550 39.000 0.114 0.000 1.056 1226 F HN -0.282 nan 8.300 nan 0.000 0.577 1227 V N 1.926 121.972 119.914 0.220 0.000 2.323 1227 V HA -0.117 4.003 4.120 -0.000 0.000 0.244 1227 V C -0.426 175.716 176.094 0.081 0.000 1.041 1227 V CA 1.764 64.181 62.300 0.196 0.000 1.025 1227 V CB -1.663 30.360 31.823 0.333 0.000 0.656 1227 V HN 0.128 nan 8.190 nan 0.000 0.451 1228 P HA -0.136 nan 4.420 nan 0.000 0.216 1228 P C -1.376 175.904 177.300 -0.033 0.000 1.157 1228 P CA 2.075 65.209 63.100 0.056 0.000 0.880 1228 P CB -1.330 30.418 31.700 0.081 0.000 0.791 1229 P HA -0.105 nan 4.420 nan 0.000 0.216 1229 P C 1.600 178.841 177.300 -0.098 0.000 1.150 1229 P CA 1.077 64.087 63.100 -0.150 0.000 0.837 1229 P CB -0.424 31.077 31.700 -0.332 0.000 0.786 1230 V N -0.462 119.389 119.914 -0.104 0.000 2.255 1230 V HA -0.178 3.942 4.120 -0.000 0.000 0.243 1230 V C 2.484 178.628 176.094 0.085 0.000 1.038 1230 V CA 1.666 63.994 62.300 0.047 0.000 1.008 1230 V CB -1.309 30.607 31.823 0.155 0.000 0.645 1230 V HN -0.071 nan 8.190 nan 0.000 0.449 1231 V N 0.340 120.219 119.914 -0.058 0.000 2.380 1231 V HA -0.321 3.798 4.120 -0.000 0.000 0.251 1231 V C 2.578 178.612 176.094 -0.100 0.000 1.063 1231 V CA 2.529 64.710 62.300 -0.199 0.000 1.055 1231 V CB -0.894 30.564 31.823 -0.609 0.000 0.657 1231 V HN 0.517 nan 8.190 nan 0.000 0.455 1232 R N -1.317 119.161 120.500 -0.037 0.000 2.096 1232 R HA -0.242 4.098 4.340 -0.000 0.000 0.235 1232 R C 2.142 178.469 176.300 0.046 0.000 1.127 1232 R CA 2.094 58.194 56.100 0.001 0.000 0.968 1232 R CB -0.356 29.955 30.300 0.017 0.000 0.861 1232 R HN 0.655 nan 8.270 nan 0.000 0.440 1233 W N 0.941 122.190 121.300 -0.084 0.000 2.388 1233 W HA -0.086 4.574 4.660 -0.000 0.000 0.294 1233 W C 1.392 177.870 176.519 -0.070 0.000 1.212 1233 W CA 1.126 58.431 57.345 -0.067 0.000 1.271 1233 W CB -0.124 29.302 29.460 -0.057 0.000 1.126 1233 W HN 0.032 nan 8.180 nan 0.000 0.535 1234 L N 0.647 121.837 121.223 -0.055 0.000 2.027 1234 L HA -0.235 4.105 4.340 -0.000 0.000 0.206 1234 L C 2.228 178.916 176.870 -0.304 0.000 1.074 1234 L CA 1.436 56.121 54.840 -0.259 0.000 0.745 1234 L CB -1.128 40.868 42.059 -0.105 0.000 0.898 1234 L HN -0.043 nan 8.230 nan 0.000 0.433 1235 N N 0.299 118.882 118.700 -0.195 0.000 2.223 1235 N HA -0.162 4.578 4.740 -0.000 0.000 0.185 1235 N C 1.348 176.754 175.510 -0.174 0.000 1.016 1235 N CA 1.057 54.011 53.050 -0.161 0.000 0.863 1235 N CB -0.160 38.280 38.487 -0.079 0.000 0.983 1235 N HN 0.417 nan 8.380 nan 0.000 0.429 1236 E N -0.015 120.071 120.200 -0.191 0.000 2.463 1236 E HA -0.007 4.343 4.350 -0.000 0.000 0.191 1236 E C 1.156 177.594 176.600 -0.270 0.000 1.083 1236 E CA -0.006 56.289 56.400 -0.175 0.000 0.872 1236 E CB 0.199 29.831 29.700 -0.113 0.000 0.966 1236 E HN 0.401 nan 8.360 nan 0.000 0.491 1237 Q N 0.453 120.026 119.800 -0.379 0.000 2.316 1237 Q HA 0.119 4.459 4.340 -0.000 0.000 0.235 1237 Q C -0.395 175.421 176.000 -0.307 0.000 0.863 1237 Q CA -0.138 55.413 55.803 -0.419 0.000 0.939 1237 Q CB 0.583 28.895 28.738 -0.710 0.000 1.108 1237 Q HN -0.026 nan 8.270 nan 0.000 0.522 1238 R N 0.723 121.024 120.500 -0.332 0.000 2.877 1238 R HA -0.244 4.096 4.340 -0.000 0.000 0.275 1238 R C -1.739 174.266 176.300 -0.491 0.000 0.924 1238 R CA 0.497 56.318 56.100 -0.464 0.000 0.715 1238 R CB -1.389 28.734 30.300 -0.295 0.000 1.761 1238 R HN 0.334 nan 8.270 nan 0.000 0.498 1239 Y N 2.706 122.615 120.300 -0.651 0.000 2.555 1239 Y HA 0.286 4.836 4.550 -0.000 0.000 0.326 1239 Y C -0.587 175.088 175.900 -0.376 0.000 0.984 1239 Y CA -1.075 56.765 58.100 -0.434 0.000 1.298 1239 Y CB 0.543 38.826 38.460 -0.294 0.000 1.094 1239 Y HN 0.313 nan 8.280 nan 0.000 0.500 1240 Y N 4.283 124.434 120.300 -0.249 0.000 2.496 1240 Y HA 0.358 4.908 4.550 -0.000 0.000 0.313 1240 Y C 1.506 177.409 175.900 0.005 0.000 1.184 1240 Y CA -0.012 58.108 58.100 0.034 0.000 1.275 1240 Y CB -0.344 38.240 38.460 0.208 0.000 1.103 1240 Y HN 0.842 nan 8.280 nan 0.000 0.513 1241 G N 0.172 108.604 108.800 -0.614 0.000 2.641 1241 G HA2 0.139 4.099 3.960 -0.000 0.000 0.254 1241 G HA3 0.139 4.099 3.960 -0.000 0.000 0.254 1241 G C 0.269 175.127 174.900 -0.070 0.000 1.315 1241 G CA 0.007 44.867 45.100 -0.401 0.000 0.907 1241 G HN 1.282 nan 8.290 nan 0.000 0.572 1242 G N -2.253 106.610 108.800 0.105 0.000 2.731 1242 G HA2 0.505 4.465 3.960 -0.000 0.000 0.686 1242 G HA3 0.505 4.465 3.960 -0.000 0.000 0.686 1242 G C 1.166 176.127 174.900 0.102 0.000 1.395 1242 G CA 0.611 45.800 45.100 0.148 0.000 0.870 1242 G HN 3.277 nan 8.290 nan 0.000 0.591 1243 G N -0.334 108.534 108.800 0.113 0.000 2.362 1243 G HA2 0.425 4.384 3.960 -0.000 0.000 0.517 1243 G HA3 0.425 4.384 3.960 -0.000 0.000 0.517 1243 G C -0.365 174.634 174.900 0.165 0.000 1.256 1243 G CA 0.125 45.304 45.100 0.132 0.000 1.027 1243 G HN 2.264 nan 8.290 nan 0.000 0.491 1244 Y N 1.724 122.066 120.300 0.070 0.000 2.336 1244 Y HA 0.443 4.993 4.550 -0.000 0.000 0.335 1244 Y C 1.283 177.224 175.900 0.068 0.000 1.046 1244 Y CA 1.068 59.205 58.100 0.062 0.000 1.198 1244 Y CB 0.927 39.419 38.460 0.054 0.000 1.182 1244 Y HN 2.418 nan 8.280 nan 0.000 0.502 1245 G N 3.613 112.078 108.800 -0.559 0.000 2.198 1245 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.260 1245 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.260 1245 G C 0.460 175.283 174.900 -0.127 0.000 1.025 1245 G CA 0.676 45.506 45.100 -0.449 0.000 0.769 1245 G HN 1.217 nan 8.290 nan 0.000 0.507 1246 S N -1.522 114.175 115.700 -0.006 0.000 2.583 1246 S HA 0.320 4.790 4.470 -0.000 0.000 0.239 1246 S C 1.675 176.371 174.600 0.158 0.000 0.966 1246 S CA 0.912 59.198 58.200 0.143 0.000 0.973 1246 S CB 0.454 63.795 63.200 0.234 0.000 0.794 1246 S HN 0.316 nan 8.310 nan 0.000 0.463 1247 T N 2.458 117.057 114.554 0.076 0.000 2.708 1247 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 1247 T C 1.939 176.790 174.700 0.251 0.000 1.037 1247 T CA 1.336 63.510 62.100 0.123 0.000 1.146 1247 T CB -0.180 68.690 68.868 0.003 0.000 0.865 1247 T HN 0.353 nan 8.240 nan 0.000 0.435 1248 Q N 0.591 120.524 119.800 0.222 0.000 2.062 1248 Q HA 0.149 4.488 4.340 -0.000 0.000 0.196 1248 Q C 2.802 179.003 176.000 0.337 0.000 0.967 1248 Q CA 1.378 57.387 55.803 0.343 0.000 0.832 1248 Q CB -0.773 28.142 28.738 0.294 0.000 0.899 1248 Q HN 0.531 nan 8.270 nan 0.000 0.442 1249 A N 0.694 123.661 122.820 0.245 0.000 1.883 1249 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 1249 A C 2.376 180.170 177.584 0.349 0.000 1.186 1249 A CA 2.267 54.436 52.037 0.219 0.000 0.624 1249 A CB -1.006 18.054 19.000 0.101 0.000 0.822 1249 A HN 0.402 nan 8.150 nan 0.000 0.444 1250 T N -1.093 113.729 114.554 0.446 0.000 2.708 1250 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 1250 T C 1.616 176.603 174.700 0.478 0.000 1.037 1250 T CA 1.584 63.984 62.100 0.500 0.000 1.146 1250 T CB -0.401 68.700 68.868 0.389 0.000 0.865 1250 T HN 0.459 nan 8.240 nan 0.000 0.435 1251 F N 0.846 120.950 119.950 0.257 0.000 2.365 1251 F HA -0.000 4.527 4.527 -0.000 0.000 0.300 1251 F C 1.961 177.825 175.800 0.107 0.000 1.090 1251 F CA 0.866 58.974 58.000 0.180 0.000 1.408 1251 F CB -0.166 38.943 39.000 0.181 0.000 1.060 1251 F HN 0.029 nan 8.300 nan 0.000 0.534 1252 M N -1.409 118.278 119.600 0.145 0.000 2.556 1252 M HA 0.035 4.515 4.480 -0.000 0.000 0.264 1252 M C 2.386 178.609 176.300 -0.128 0.000 1.163 1252 M CA 0.729 55.978 55.300 -0.086 0.000 1.186 1252 M CB -1.272 31.272 32.600 -0.093 0.000 1.321 1252 M HN 0.065 nan 8.290 nan 0.000 0.485 1253 V N 0.341 120.216 119.914 -0.065 0.000 2.490 1253 V HA -0.230 3.890 4.120 -0.000 0.000 0.250 1253 V C 1.891 177.786 176.094 -0.331 0.000 1.061 1253 V CA 1.830 64.008 62.300 -0.204 0.000 1.064 1253 V CB -0.405 31.275 31.823 -0.238 0.000 0.670 1253 V HN 0.269 nan 8.190 nan 0.000 0.461 1254 F N -0.435 119.449 119.950 -0.111 0.000 2.569 1254 F HA 0.093 4.620 4.527 -0.000 0.000 0.295 1254 F C 2.375 178.163 175.800 -0.021 0.000 1.115 1254 F CA 1.254 59.165 58.000 -0.149 0.000 1.450 1254 F CB -0.263 38.612 39.000 -0.209 0.000 1.107 1254 F HN 0.163 nan 8.300 nan 0.000 0.563 1255 Q N 0.457 120.245 119.800 -0.019 0.000 2.172 1255 Q HA -0.093 4.246 4.340 -0.000 0.000 0.200 1255 Q C 2.213 178.189 176.000 -0.039 0.000 0.964 1255 Q CA 1.281 57.010 55.803 -0.124 0.000 0.855 1255 Q CB -0.031 28.450 28.738 -0.429 0.000 0.918 1255 Q HN 0.363 nan 8.270 nan 0.000 0.444 1256 A N 0.482 123.257 122.820 -0.074 0.000 1.898 1256 A HA -0.028 4.292 4.320 -0.000 0.000 0.214 1256 A C 1.950 179.585 177.584 0.085 0.000 1.183 1256 A CA 0.618 52.625 52.037 -0.050 0.000 0.622 1256 A CB -0.433 18.494 19.000 -0.122 0.000 0.824 1256 A HN 0.401 nan 8.150 nan 0.000 0.444 1257 L N -0.744 120.546 121.223 0.112 0.000 2.156 1257 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 1257 L C 2.985 180.096 176.870 0.401 0.000 1.095 1257 L CA 0.871 55.861 54.840 0.250 0.000 0.770 1257 L CB -0.484 41.697 42.059 0.203 0.000 0.914 1257 L HN 0.436 nan 8.230 nan 0.000 0.439 1258 A N -0.284 122.776 122.820 0.400 0.000 1.897 1258 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 1258 A C 2.214 179.869 177.584 0.118 0.000 1.181 1258 A CA 1.417 53.582 52.037 0.213 0.000 0.620 1258 A CB -0.402 18.767 19.000 0.282 0.000 0.821 1258 A HN 0.345 nan 8.150 nan 0.000 0.443 1259 Q N -1.622 118.274 119.800 0.160 0.000 2.291 1259 Q HA -0.152 4.188 4.340 -0.000 0.000 0.205 1259 Q C 1.609 177.696 176.000 0.146 0.000 0.970 1259 Q CA 1.721 57.599 55.803 0.125 0.000 0.876 1259 Q CB -0.586 28.218 28.738 0.109 0.000 0.935 1259 Q HN 0.759 nan 8.270 nan 0.000 0.455 1260 Y N -0.206 120.135 120.300 0.067 0.000 2.314 1260 Y HA -0.067 4.483 4.550 -0.000 0.000 0.293 1260 Y C 1.624 177.547 175.900 0.038 0.000 1.129 1260 Y CA 1.232 59.379 58.100 0.079 0.000 1.201 1260 Y CB 0.231 38.743 38.460 0.088 0.000 0.999 1260 Y HN 0.115 nan 8.280 nan 0.000 0.541 1261 Q N 0.561 120.344 119.800 -0.028 0.000 2.369 1261 Q HA -0.091 4.249 4.340 -0.000 0.000 0.206 1261 Q C 1.559 177.447 176.000 -0.186 0.000 0.963 1261 Q CA 1.199 56.912 55.803 -0.150 0.000 0.894 1261 Q CB 0.012 28.691 28.738 -0.098 0.000 0.965 1261 Q HN 0.588 nan 8.270 nan 0.000 0.475 1262 K N -0.070 120.248 120.400 -0.136 0.000 2.244 1262 K HA 0.007 4.327 4.320 -0.000 0.000 0.200 1262 K C 0.715 177.231 176.600 -0.141 0.000 1.052 1262 K CA 0.625 56.840 56.287 -0.119 0.000 0.980 1262 K CB 0.465 32.926 32.500 -0.064 0.000 0.838 1262 K HN 0.004 nan 8.250 nan 0.000 0.481 1263 D N 0.960 121.288 120.400 -0.120 0.000 2.339 1263 D HA 0.069 4.708 4.640 -0.000 0.000 0.217 1263 D C -0.096 175.997 176.300 -0.345 0.000 1.050 1263 D CA 0.103 54.048 54.000 -0.093 0.000 0.856 1263 D CB 0.316 41.231 40.800 0.191 0.000 0.922 1263 D HN 0.086 nan 8.370 nan 0.000 0.518 1264 A N 2.179 124.716 122.820 -0.471 0.000 2.484 1264 A HA 0.360 4.679 4.320 -0.000 0.000 0.268 1264 A C -2.201 175.055 177.584 -0.547 0.000 1.114 1264 A CA -0.844 50.819 52.037 -0.624 0.000 0.780 1264 A CB -0.049 18.476 19.000 -0.793 0.000 1.061 1264 A HN -0.096 nan 8.150 nan 0.000 0.505 1265 P HA 0.271 nan 4.420 nan 0.000 0.287 1265 P C -0.465 176.567 177.300 -0.447 0.000 1.294 1265 P CA -0.253 62.474 63.100 -0.621 0.000 0.776 1265 P CB 1.092 32.367 31.700 -0.708 0.000 0.889 1266 D N 1.240 121.365 120.400 -0.458 0.000 2.363 1266 D HA -0.019 4.621 4.640 -0.000 0.000 0.220 1266 D C 0.734 176.892 176.300 -0.237 0.000 0.994 1266 D CA 1.216 55.050 54.000 -0.276 0.000 0.890 1266 D CB -0.181 40.505 40.800 -0.190 0.000 0.906 1266 D HN 0.663 nan 8.370 nan 0.000 0.530 1267 H N -2.604 116.238 119.070 -0.381 0.000 2.954 1267 H HA 0.352 4.908 4.556 -0.000 0.000 0.262 1267 H C -1.066 174.124 175.328 -0.230 0.000 1.515 1267 H CA -1.208 54.646 56.048 -0.324 0.000 1.179 1267 H CB 0.388 29.773 29.762 -0.627 0.000 1.888 1267 H HN -0.144 nan 8.280 nan 0.000 0.645 1268 Q N -0.178 119.662 119.800 0.066 0.000 2.351 1268 Q HA 0.400 4.740 4.340 -0.000 0.000 0.273 1268 Q C -1.042 175.062 176.000 0.174 0.000 1.077 1268 Q CA -1.155 54.672 55.803 0.040 0.000 0.843 1268 Q CB 2.269 31.050 28.738 0.070 0.000 1.367 1268 Q HN 0.640 nan 8.270 nan 0.000 0.449 1269 E N 1.214 121.468 120.200 0.089 0.000 2.757 1269 E HA -0.052 4.298 4.350 -0.000 0.000 0.238 1269 E C -0.871 175.813 176.600 0.140 0.000 1.057 1269 E CA 0.111 56.581 56.400 0.118 0.000 0.952 1269 E CB 0.214 29.959 29.700 0.074 0.000 0.934 1269 E HN 0.284 nan 8.360 nan 0.000 0.518 1270 L N 5.122 126.455 121.223 0.183 0.000 2.360 1270 L HA 0.278 4.618 4.340 -0.000 0.000 0.265 1270 L C -0.902 175.998 176.870 0.050 0.000 1.066 1270 L CA -0.206 54.717 54.840 0.139 0.000 0.929 1270 L CB 0.318 42.501 42.059 0.205 0.000 1.306 1270 L HN 0.264 nan 8.230 nan 0.000 0.434 1271 N N 4.591 123.280 118.700 -0.017 0.000 2.725 1271 N HA 0.286 5.026 4.740 -0.000 0.000 0.248 1271 N C -1.688 173.758 175.510 -0.108 0.000 1.402 1271 N CA -0.279 52.677 53.050 -0.157 0.000 0.766 1271 N CB 0.426 38.856 38.487 -0.095 0.000 1.223 1271 N HN 0.469 nan 8.380 nan 0.000 0.515 1272 L N 0.752 121.916 121.223 -0.098 0.000 2.276 1272 L HA 0.349 4.689 4.340 -0.000 0.000 0.286 1272 L C 0.301 177.148 176.870 -0.039 0.000 1.061 1272 L CA -0.550 54.265 54.840 -0.042 0.000 0.807 1272 L CB 1.044 43.094 42.059 -0.014 0.000 1.177 1272 L HN 0.284 nan 8.230 nan 0.000 0.429 1273 D N 3.188 123.581 120.400 -0.012 0.000 2.781 1273 D HA 0.156 4.795 4.640 -0.000 0.000 0.254 1273 D C -0.496 175.822 176.300 0.030 0.000 1.213 1273 D CA -0.312 53.693 54.000 0.007 0.000 0.994 1273 D CB 0.499 41.304 40.800 0.008 0.000 1.019 1273 D HN 0.044 nan 8.370 nan 0.000 0.514 1274 V N 2.366 122.307 119.914 0.045 0.000 2.415 1274 V HA 0.216 4.336 4.120 -0.000 0.000 0.267 1274 V C 0.504 176.648 176.094 0.084 0.000 1.042 1274 V CA -0.260 62.076 62.300 0.059 0.000 1.000 1274 V CB 0.602 32.459 31.823 0.056 0.000 1.015 1274 V HN 0.539 nan 8.190 nan 0.000 0.478 1275 S N 6.749 122.491 115.700 0.069 0.000 2.596 1275 S HA 0.779 5.249 4.470 -0.000 0.000 0.318 1275 S C -0.789 173.857 174.600 0.076 0.000 1.097 1275 S CA -0.840 57.403 58.200 0.071 0.000 1.080 1275 S CB 1.309 64.536 63.200 0.045 0.000 0.991 1275 S HN 0.696 nan 8.310 nan 0.000 0.471 1276 L N 1.074 122.349 121.223 0.087 0.000 2.322 1276 L HA 0.707 5.047 4.340 -0.000 0.000 0.281 1276 L C -0.503 176.412 176.870 0.074 0.000 1.014 1276 L CA -0.784 54.116 54.840 0.100 0.000 0.815 1276 L CB 1.518 43.643 42.059 0.110 0.000 1.247 1276 L HN 0.766 nan 8.230 nan 0.000 0.421 1277 Q N 2.820 122.677 119.800 0.095 0.000 2.337 1277 Q HA 0.599 4.939 4.340 -0.000 0.000 0.266 1277 Q C -1.744 174.317 176.000 0.102 0.000 1.023 1277 Q CA -0.855 54.990 55.803 0.070 0.000 0.829 1277 Q CB 2.252 31.025 28.738 0.058 0.000 1.306 1277 Q HN 0.742 nan 8.270 nan 0.000 0.449 1278 L N 5.678 126.936 121.223 0.058 0.000 2.325 1278 L HA 0.421 4.760 4.340 -0.000 0.000 0.278 1278 L C -1.787 175.121 176.870 0.064 0.000 1.023 1278 L CA -1.892 52.994 54.840 0.077 0.000 0.811 1278 L CB 1.109 43.165 42.059 -0.005 0.000 1.249 1278 L HN 0.615 nan 8.230 nan 0.000 0.431 1279 P HA -0.138 nan 4.420 nan 0.000 0.216 1279 P C 0.868 178.188 177.300 0.032 0.000 1.150 1279 P CA 0.936 64.066 63.100 0.051 0.000 0.837 1279 P CB 0.302 32.035 31.700 0.055 0.000 0.786 1280 S N -0.528 115.189 115.700 0.029 0.000 2.849 1280 S HA 0.224 4.694 4.470 -0.000 0.000 0.244 1280 S C 0.148 174.751 174.600 0.006 0.000 1.297 1280 S CA -0.523 57.686 58.200 0.014 0.000 1.241 1280 S CB -1.197 62.010 63.200 0.012 0.000 0.958 1280 S HN -0.056 nan 8.310 nan 0.000 0.489 1281 R N -0.388 120.117 120.500 0.009 0.000 2.633 1281 R HA 0.282 4.622 4.340 -0.000 0.000 0.256 1281 R C 0.335 176.640 176.300 0.007 0.000 1.131 1281 R CA -0.259 55.842 56.100 0.003 0.000 0.994 1281 R CB 0.494 30.792 30.300 -0.004 0.000 1.261 1281 R HN 0.239 nan 8.270 nan 0.000 0.446 1282 S N 0.668 116.370 115.700 0.004 0.000 2.355 1282 S HA -0.004 4.466 4.470 -0.000 0.000 0.210 1282 S C 0.446 175.050 174.600 0.005 0.000 1.035 1282 S CA 0.677 58.880 58.200 0.005 0.000 1.011 1282 S CB -0.149 63.052 63.200 0.002 0.000 1.000 1282 S HN 0.664 nan 8.310 nan 0.000 0.423 1283 S N 1.643 117.344 115.700 0.002 0.000 2.596 1283 S HA 0.213 4.683 4.470 -0.000 0.000 0.260 1283 S C 0.308 174.910 174.600 0.004 0.000 1.336 1283 S CA -0.126 58.075 58.200 0.001 0.000 0.993 1283 S CB 0.332 63.529 63.200 -0.004 0.000 0.923 1283 S HN 0.267 nan 8.310 nan 0.000 0.567 1284 K N 0.410 120.813 120.400 0.005 0.000 2.148 1284 K HA 0.442 4.762 4.320 -0.000 0.000 0.239 1284 K C -0.663 175.940 176.600 0.005 0.000 1.018 1284 K CA -0.632 55.661 56.287 0.011 0.000 0.923 1284 K CB 0.395 32.905 32.500 0.016 0.000 1.117 1284 K HN 0.310 nan 8.250 nan 0.000 0.477 1285 I N 2.405 122.987 120.570 0.020 0.000 2.428 1285 I HA 0.139 4.309 4.170 -0.000 0.000 0.279 1285 I C -0.424 175.725 176.117 0.053 0.000 1.040 1285 I CA -0.280 61.039 61.300 0.032 0.000 1.171 1285 I CB 0.633 38.675 38.000 0.071 0.000 1.312 1285 I HN 0.491 nan 8.210 nan 0.000 0.470 1286 T N 5.573 120.100 114.554 -0.045 0.000 2.799 1286 T HA 0.463 4.813 4.350 -0.000 0.000 0.286 1286 T C -0.169 174.415 174.700 -0.194 0.000 0.973 1286 T CA -0.216 61.855 62.100 -0.047 0.000 1.035 1286 T CB 1.008 69.848 68.868 -0.047 0.000 0.932 1286 T HN 0.320 nan 8.240 nan 0.000 0.469 1287 H N 2.173 121.247 119.070 0.007 0.000 2.771 1287 H HA 0.433 4.989 4.556 -0.000 0.000 0.361 1287 H C -0.280 175.049 175.328 0.003 0.000 1.108 1287 H CA -0.735 55.318 56.048 0.008 0.000 1.201 1287 H CB 2.008 31.772 29.762 0.003 0.000 1.681 1287 H HN 0.369 nan 8.280 nan 0.000 0.534 1288 R N 2.598 123.167 120.500 0.114 0.000 2.494 1288 R HA 0.491 4.831 4.340 -0.000 0.000 0.305 1288 R C -0.395 175.918 176.300 0.022 0.000 0.959 1288 R CA -0.705 55.414 56.100 0.032 0.000 0.864 1288 R CB 1.872 32.194 30.300 0.037 0.000 1.159 1288 R HN 0.441 nan 8.270 nan 0.000 0.446 1289 I N 3.619 124.140 120.570 -0.082 0.000 2.354 1289 I HA 0.282 4.451 4.170 -0.000 0.000 0.286 1289 I C -0.236 175.792 176.117 -0.148 0.000 1.007 1289 I CA -0.618 60.652 61.300 -0.049 0.000 1.167 1289 I CB 1.090 39.077 38.000 -0.022 0.000 1.320 1289 I HN 0.516 nan 8.210 nan 0.000 0.458 1290 H N 4.083 123.183 119.070 0.050 0.000 2.570 1290 H HA 0.144 4.700 4.556 -0.000 0.000 0.342 1290 H C 0.467 175.842 175.328 0.079 0.000 1.245 1290 H CA -0.411 55.687 56.048 0.083 0.000 1.318 1290 H CB 1.597 31.409 29.762 0.084 0.000 1.694 1290 H HN 0.653 nan 8.280 nan 0.000 0.592 1291 W N 1.392 122.737 121.300 0.075 0.000 2.363 1291 W HA -0.176 4.484 4.660 -0.000 0.000 0.296 1291 W C 0.566 177.049 176.519 -0.060 0.000 1.212 1291 W CA 1.747 59.038 57.345 -0.091 0.000 1.260 1291 W CB 0.137 29.435 29.460 -0.270 0.000 1.131 1291 W HN 0.715 nan 8.180 nan 0.000 0.530 1292 E N 0.524 120.703 120.200 -0.035 0.000 2.072 1292 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 1292 E C 2.095 178.601 176.600 -0.157 0.000 0.982 1292 E CA 1.975 58.285 56.400 -0.150 0.000 0.803 1292 E CB -0.640 29.067 29.700 0.012 0.000 0.755 1292 E HN 0.169 nan 8.360 nan 0.000 0.453 1293 S N -0.293 115.379 115.700 -0.047 0.000 2.602 1293 S HA 0.584 5.054 4.470 -0.000 0.000 0.246 1293 S C 0.584 175.149 174.600 -0.059 0.000 1.009 1293 S CA -0.328 57.852 58.200 -0.033 0.000 1.052 1293 S CB 0.046 63.273 63.200 0.045 0.000 0.778 1293 S HN 0.227 nan 8.310 nan 0.000 0.455 1294 A N 1.872 124.604 122.820 -0.147 0.000 2.267 1294 A HA 0.676 4.996 4.320 -0.000 0.000 0.271 1294 A C 1.218 178.718 177.584 -0.140 0.000 1.131 1294 A CA 0.028 51.976 52.037 -0.148 0.000 0.818 1294 A CB -0.429 18.428 19.000 -0.238 0.000 1.118 1294 A HN 1.757 nan 8.150 nan 0.000 0.501 1295 S N -2.576 113.056 115.700 -0.112 0.000 3.521 1295 S HA -0.172 4.297 4.470 -0.000 0.000 0.362 1295 S C -0.364 174.192 174.600 -0.074 0.000 1.044 1295 S CA 1.170 59.316 58.200 -0.091 0.000 1.091 1295 S CB -2.287 60.847 63.200 -0.110 0.000 0.908 1295 S HN 1.979 nan 8.310 nan 0.000 0.473 1296 L N 1.018 122.203 121.223 -0.062 0.000 2.313 1296 L HA 0.653 4.992 4.340 -0.000 0.000 0.283 1296 L C -0.028 176.811 176.870 -0.051 0.000 1.013 1296 L CA -0.877 53.932 54.840 -0.050 0.000 0.816 1296 L CB 1.307 43.344 42.059 -0.038 0.000 1.236 1296 L HN 0.424 nan 8.230 nan 0.000 0.419 1297 L N 6.350 127.544 121.223 -0.048 0.000 2.401 1297 L HA 0.344 4.684 4.340 -0.000 0.000 0.283 1297 L C 0.204 177.033 176.870 -0.069 0.000 1.151 1297 L CA -0.037 54.771 54.840 -0.054 0.000 0.942 1297 L CB -0.375 41.660 42.059 -0.041 0.000 1.283 1297 L HN 0.556 nan 8.230 nan 0.000 0.442 1298 R N 2.191 122.625 120.500 -0.109 0.000 2.296 1298 R HA 0.217 4.557 4.340 -0.000 0.000 0.327 1298 R C 0.093 176.280 176.300 -0.188 0.000 1.137 1298 R CA -0.221 55.773 56.100 -0.177 0.000 1.020 1298 R CB 0.766 30.865 30.300 -0.335 0.000 1.110 1298 R HN 0.557 nan 8.270 nan 0.000 0.499 1299 S N 1.784 117.413 115.700 -0.119 0.000 2.608 1299 S HA 0.479 4.949 4.470 -0.000 0.000 0.291 1299 S C -0.329 174.220 174.600 -0.085 0.000 1.146 1299 S CA -1.013 57.130 58.200 -0.095 0.000 1.043 1299 S CB 2.307 65.472 63.200 -0.058 0.000 1.037 1299 S HN 0.350 nan 8.310 nan 0.000 0.520 1300 E N 1.369 121.515 120.200 -0.089 0.000 2.260 1300 E HA 0.380 4.729 4.350 -0.000 0.000 0.266 1300 E C -1.302 175.246 176.600 -0.088 0.000 0.887 1300 E CA -0.498 55.855 56.400 -0.079 0.000 0.777 1300 E CB 1.898 31.542 29.700 -0.094 0.000 1.205 1300 E HN 0.705 nan 8.360 nan 0.000 0.414 1301 E N 0.794 120.958 120.200 -0.060 0.000 2.277 1301 E HA 0.552 4.902 4.350 -0.000 0.000 0.274 1301 E C -0.624 175.941 176.600 -0.059 0.000 1.022 1301 E CA -0.330 56.040 56.400 -0.051 0.000 0.853 1301 E CB 1.166 30.851 29.700 -0.026 0.000 1.086 1301 E HN 0.133 nan 8.360 nan 0.000 0.397 1302 T N 2.205 116.727 114.554 -0.053 0.000 3.355 1302 T HA 0.170 4.520 4.350 -0.000 0.000 0.324 1302 T C 0.296 174.986 174.700 -0.017 0.000 0.932 1302 T CA -0.770 61.302 62.100 -0.046 0.000 1.032 1302 T CB 0.692 69.511 68.868 -0.081 0.000 1.027 1302 T HN 0.347 nan 8.240 nan 0.000 0.456 1303 K N 1.135 121.532 120.400 -0.006 0.000 2.442 1303 K HA -0.019 4.300 4.320 -0.000 0.000 0.198 1303 K C 0.838 177.444 176.600 0.009 0.000 1.044 1303 K CA 0.734 57.026 56.287 0.008 0.000 0.948 1303 K CB 0.477 32.983 32.500 0.010 0.000 0.762 1303 K HN 0.540 nan 8.250 nan 0.000 0.472 1304 E N 1.544 121.747 120.200 0.004 0.000 2.166 1304 E HA 0.058 4.408 4.350 -0.000 0.000 0.275 1304 E C -0.988 175.623 176.600 0.020 0.000 0.941 1304 E CA -0.634 55.771 56.400 0.009 0.000 0.784 1304 E CB 0.774 30.478 29.700 0.007 0.000 1.115 1304 E HN -0.105 nan 8.360 nan 0.000 0.399 1305 N N 4.497 123.208 118.700 0.018 0.000 2.555 1305 N HA 0.059 4.798 4.740 -0.000 0.000 0.244 1305 N C -1.250 174.287 175.510 0.044 0.000 1.114 1305 N CA 0.108 53.176 53.050 0.030 0.000 0.963 1305 N CB 0.321 38.806 38.487 -0.004 0.000 1.276 1305 N HN 0.420 nan 8.380 nan 0.000 0.510 1306 E N 0.570 120.824 120.200 0.090 0.000 2.339 1306 E HA 0.479 4.828 4.350 -0.000 0.000 0.262 1306 E C -0.173 176.511 176.600 0.140 0.000 0.934 1306 E CA -1.031 55.426 56.400 0.095 0.000 0.802 1306 E CB 1.321 31.076 29.700 0.093 0.000 1.275 1306 E HN 0.490 nan 8.360 nan 0.000 0.427 1307 G N 1.720 110.563 108.800 0.072 0.000 2.696 1307 G HA2 0.407 4.367 3.960 -0.000 0.000 0.329 1307 G HA3 0.407 4.367 3.960 -0.000 0.000 0.329 1307 G C -0.145 174.761 174.900 0.011 0.000 0.973 1307 G CA -0.357 44.736 45.100 -0.012 0.000 1.257 1307 G HN 0.231 nan 8.290 nan 0.000 0.456 1308 F N 1.369 121.317 119.950 -0.004 0.000 2.362 1308 F HA 0.843 5.370 4.527 -0.000 0.000 0.311 1308 F C 0.405 176.206 175.800 0.001 0.000 1.161 1308 F CA -1.207 56.792 58.000 -0.000 0.000 1.085 1308 F CB 0.996 39.997 39.000 0.002 0.000 1.311 1308 F HN 0.264 nan 8.300 nan 0.000 0.524 1309 T N -0.627 114.026 114.554 0.165 0.000 2.881 1309 T HA 0.678 5.028 4.350 -0.000 0.000 0.290 1309 T C -1.203 173.597 174.700 0.168 0.000 1.000 1309 T CA -0.783 61.350 62.100 0.054 0.000 0.978 1309 T CB 1.027 69.910 68.868 0.025 0.000 0.997 1309 T HN 0.670 nan 8.240 nan 0.000 0.443 1310 V N 3.084 123.073 119.914 0.124 0.000 2.435 1310 V HA 0.637 4.757 4.120 -0.000 0.000 0.290 1310 V C 0.131 176.269 176.094 0.074 0.000 1.030 1310 V CA -0.560 61.823 62.300 0.138 0.000 0.881 1310 V CB 1.801 33.719 31.823 0.159 0.000 0.983 1310 V HN 1.133 nan 8.190 nan 0.000 0.445 1311 T N 4.335 118.930 114.554 0.068 0.000 2.864 1311 T HA 0.673 5.023 4.350 -0.000 0.000 0.299 1311 T C -0.023 174.703 174.700 0.043 0.000 1.011 1311 T CA -0.226 61.902 62.100 0.047 0.000 0.975 1311 T CB 1.399 70.291 68.868 0.041 0.000 0.962 1311 T HN 0.907 nan 8.240 nan 0.000 0.448 1312 A N 3.080 125.921 122.820 0.036 0.000 2.295 1312 A HA 0.859 5.179 4.320 -0.000 0.000 0.318 1312 A C -0.118 177.481 177.584 0.025 0.000 1.134 1312 A CA -0.600 51.456 52.037 0.031 0.000 0.827 1312 A CB 0.909 19.926 19.000 0.028 0.000 1.136 1312 A HN 0.806 nan 8.150 nan 0.000 0.493 1313 E N 0.131 120.344 120.200 0.022 0.000 2.381 1313 E HA 0.503 4.853 4.350 -0.000 0.000 0.286 1313 E C -0.377 176.232 176.600 0.014 0.000 0.960 1313 E CA 0.122 56.534 56.400 0.019 0.000 0.793 1313 E CB 1.644 31.356 29.700 0.019 0.000 1.225 1313 E HN 2.097 nan 8.360 nan 0.000 0.420 1314 G N 2.392 111.201 108.800 0.016 0.000 2.373 1314 G HA2 -0.041 3.918 3.960 -0.000 0.000 0.634 1314 G HA3 -0.041 3.918 3.960 -0.000 0.000 0.634 1314 G C -1.573 173.340 174.900 0.021 0.000 1.267 1314 G CA -0.830 44.279 45.100 0.015 0.000 1.008 1314 G HN 0.424 nan 8.290 nan 0.000 0.497 1315 K N 0.197 120.612 120.400 0.025 0.000 2.156 1315 K HA 0.813 5.133 4.320 -0.000 0.000 0.271 1315 K C 0.752 177.376 176.600 0.040 0.000 0.995 1315 K CA 0.718 57.027 56.287 0.036 0.000 0.890 1315 K CB 1.349 33.877 32.500 0.045 0.000 1.073 1315 K HN 2.171 nan 8.250 nan 0.000 0.454 1316 G N 0.565 109.395 108.800 0.049 0.000 2.302 1316 G HA2 0.099 4.058 3.960 -0.000 0.000 0.276 1316 G HA3 0.099 4.058 3.960 -0.000 0.000 0.276 1316 G C -1.801 173.131 174.900 0.052 0.000 1.316 1316 G CA -0.870 44.266 45.100 0.059 0.000 0.988 1316 G HN 0.567 nan 8.290 nan 0.000 0.479 1317 Q N -0.654 119.178 119.800 0.053 0.000 2.327 1317 Q HA 0.584 4.924 4.340 -0.000 0.000 0.265 1317 Q C -0.194 175.828 176.000 0.036 0.000 0.993 1317 Q CA -0.007 55.823 55.803 0.045 0.000 0.885 1317 Q CB 1.476 30.245 28.738 0.052 0.000 1.379 1317 Q HN 1.721 nan 8.270 nan 0.000 0.408 1318 G N 0.769 109.585 108.800 0.025 0.000 3.166 1318 G HA2 0.795 4.754 3.960 -0.000 0.000 0.267 1318 G HA3 0.795 4.754 3.960 -0.000 0.000 0.267 1318 G C -1.276 173.632 174.900 0.014 0.000 1.256 1318 G CA -0.487 44.623 45.100 0.015 0.000 0.859 1318 G HN 0.448 nan 8.290 nan 0.000 0.590 1319 T N 0.142 114.701 114.554 0.007 0.000 3.105 1319 T HA 0.462 4.812 4.350 -0.000 0.000 0.321 1319 T C -1.639 173.066 174.700 0.007 0.000 1.135 1319 T CA -0.290 61.815 62.100 0.008 0.000 1.053 1319 T CB 1.817 70.688 68.868 0.005 0.000 1.133 1319 T HN 0.557 nan 8.240 nan 0.000 0.463 1320 L N 3.644 124.877 121.223 0.016 0.000 2.329 1320 L HA 0.875 5.214 4.340 -0.000 0.000 0.279 1320 L C -0.477 176.410 176.870 0.030 0.000 1.014 1320 L CA -0.109 54.746 54.840 0.026 0.000 0.814 1320 L CB 1.515 43.600 42.059 0.043 0.000 1.257 1320 L HN 0.760 nan 8.230 nan 0.000 0.424 1321 S N 3.687 119.407 115.700 0.033 0.000 2.619 1321 S HA 0.815 5.285 4.470 -0.000 0.000 0.280 1321 S C -1.226 173.407 174.600 0.055 0.000 1.150 1321 S CA -0.730 57.491 58.200 0.036 0.000 0.978 1321 S CB 1.448 64.659 63.200 0.018 0.000 1.041 1321 S HN 0.422 nan 8.310 nan 0.000 0.485 1322 V N 3.216 123.175 119.914 0.076 0.000 2.443 1322 V HA 0.648 4.767 4.120 -0.000 0.000 0.293 1322 V C -0.811 175.330 176.094 0.079 0.000 1.021 1322 V CA -0.526 61.840 62.300 0.109 0.000 0.848 1322 V CB 1.504 33.458 31.823 0.218 0.000 0.998 1322 V HN 0.873 nan 8.190 nan 0.000 0.424 1323 V N 3.786 123.738 119.914 0.063 0.000 2.638 1323 V HA 0.601 4.721 4.120 -0.000 0.000 0.306 1323 V C 0.125 176.255 176.094 0.060 0.000 1.052 1323 V CA -0.543 61.791 62.300 0.056 0.000 0.885 1323 V CB 2.539 34.385 31.823 0.039 0.000 0.999 1323 V HN 0.955 nan 8.190 nan 0.000 0.424 1324 T N 2.827 117.426 114.554 0.076 0.000 2.829 1324 T HA 0.799 5.149 4.350 -0.000 0.000 0.282 1324 T C -0.534 174.251 174.700 0.142 0.000 0.990 1324 T CA -0.661 61.492 62.100 0.088 0.000 1.028 1324 T CB 1.256 70.162 68.868 0.064 0.000 0.951 1324 T HN 0.453 nan 8.240 nan 0.000 0.460 1325 M N 3.641 123.318 119.600 0.127 0.000 2.364 1325 M HA 0.636 5.116 4.480 -0.000 0.000 0.334 1325 M C -1.094 175.318 176.300 0.186 0.000 1.107 1325 M CA -0.929 54.438 55.300 0.113 0.000 0.988 1325 M CB 1.724 34.332 32.600 0.013 0.000 1.673 1325 M HN 0.951 nan 8.290 nan 0.000 0.441 1326 Y N -0.870 119.366 120.300 -0.107 0.000 2.871 1326 Y HA 0.556 5.106 4.550 -0.000 0.000 0.331 1326 Y C -1.739 174.028 175.900 -0.220 0.000 1.378 1326 Y CA -1.534 56.502 58.100 -0.106 0.000 1.079 1326 Y CB 0.839 39.298 38.460 -0.002 0.000 1.441 1326 Y HN 0.593 nan 8.280 nan 0.000 0.446 1327 H N 1.167 120.213 119.070 -0.041 0.000 2.597 1327 H HA 0.776 5.332 4.556 -0.000 0.000 0.303 1327 H C -0.408 174.854 175.328 -0.109 0.000 1.057 1327 H CA -0.082 55.882 56.048 -0.140 0.000 1.261 1327 H CB 1.254 31.012 29.762 -0.007 0.000 1.397 1327 H HN 0.908 nan 8.280 nan 0.000 0.461 1328 A N 3.056 125.736 122.820 -0.234 0.000 2.310 1328 A HA 0.226 4.546 4.320 -0.000 0.000 0.299 1328 A C 0.512 178.131 177.584 0.059 0.000 1.147 1328 A CA -0.830 51.194 52.037 -0.023 0.000 0.818 1328 A CB 0.404 19.317 19.000 -0.145 0.000 1.096 1328 A HN 0.796 nan 8.150 nan 0.000 0.495 1329 K N 2.553 123.018 120.400 0.108 0.000 2.715 1329 K HA 0.285 4.605 4.320 -0.000 0.000 0.248 1329 K C 1.143 177.775 176.600 0.053 0.000 1.276 1329 K CA 0.332 56.664 56.287 0.075 0.000 1.209 1329 K CB -0.496 32.050 32.500 0.076 0.000 1.509 1329 K HN 0.751 nan 8.250 nan 0.000 0.261 1330 A N 2.610 125.451 122.820 0.036 0.000 1.835 1330 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 1330 A C 0.220 177.820 177.584 0.027 0.000 1.199 1330 A CA 0.922 52.974 52.037 0.025 0.000 0.615 1330 A CB -0.290 18.716 19.000 0.009 0.000 0.838 1330 A HN 0.606 nan 8.150 nan 0.000 0.444 1331 K N 1.277 121.693 120.400 0.027 0.000 2.434 1331 K HA -0.031 4.289 4.320 -0.000 0.000 0.266 1331 K C -0.227 176.391 176.600 0.029 0.000 1.096 1331 K CA 0.742 57.046 56.287 0.028 0.000 1.182 1331 K CB -0.352 32.167 32.500 0.031 0.000 0.813 1331 K HN 0.552 nan 8.250 nan 0.000 0.490 1332 D N 1.135 121.550 120.400 0.026 0.000 3.396 1332 D HA -0.242 4.398 4.640 -0.000 0.000 0.196 1332 D C -0.310 176.005 176.300 0.024 0.000 1.347 1332 D CA 0.956 54.970 54.000 0.022 0.000 1.106 1332 D CB -0.485 40.326 40.800 0.019 0.000 0.619 1332 D HN 0.675 nan 8.370 nan 0.000 0.728 1333 Q N 0.599 120.412 119.800 0.022 0.000 2.398 1333 Q HA 0.157 4.497 4.340 -0.000 0.000 0.329 1333 Q C 0.691 176.710 176.000 0.031 0.000 1.079 1333 Q CA 0.493 56.311 55.803 0.025 0.000 1.041 1333 Q CB 0.038 28.790 28.738 0.023 0.000 1.084 1333 Q HN 0.495 nan 8.270 nan 0.000 0.386 1334 L N 1.760 123.005 121.223 0.036 0.000 3.597 1334 L HA -0.320 4.020 4.340 -0.000 0.000 0.440 1334 L C 1.024 177.914 176.870 0.035 0.000 1.277 1334 L CA 0.400 55.261 54.840 0.036 0.000 0.852 1334 L CB -1.206 40.871 42.059 0.030 0.000 1.708 1334 L HN 1.037 nan 8.230 nan 0.000 0.885 1335 T N -4.663 109.915 114.554 0.040 0.000 3.407 1335 T HA -0.127 4.223 4.350 -0.000 0.000 0.204 1335 T C 1.461 176.191 174.700 0.049 0.000 0.879 1335 T CA 0.799 62.923 62.100 0.040 0.000 2.438 1335 T CB -0.009 68.886 68.868 0.044 0.000 1.594 1335 T HN 0.790 nan 8.240 nan 0.000 0.353 1336 c N 0.966 119.604 118.600 0.065 0.000 5.680 1336 c HA -0.313 4.257 4.570 -0.000 0.000 0.311 1336 c C 1.100 175.261 174.090 0.118 0.000 2.274 1336 c CA 1.417 57.800 56.329 0.090 0.000 2.047 1336 c CB -2.682 39.879 42.510 0.085 0.000 2.998 1336 c HN 1.145 nan 8.230 nan 0.000 0.380 1337 N N -0.932 117.809 118.700 0.069 0.000 1.191 1337 N HA -0.230 4.509 4.740 -0.000 0.000 0.120 1337 N C -0.113 175.379 175.510 -0.030 0.000 0.826 1337 N CA 1.900 54.973 53.050 0.039 0.000 0.876 1337 N CB -1.069 37.469 38.487 0.085 0.000 1.050 1337 N HN 0.665 nan 8.380 nan 0.000 0.603 1338 K N 0.834 121.161 120.400 -0.122 0.000 2.968 1338 K HA 0.385 4.705 4.320 -0.000 0.000 0.249 1338 K C -0.772 175.360 176.600 -0.780 0.000 1.062 1338 K CA 0.379 56.335 56.287 -0.551 0.000 1.215 1338 K CB -0.498 31.467 32.500 -0.891 0.000 1.097 1338 K HN 0.248 nan 8.250 nan 0.000 0.462 1339 F N -0.568 119.343 119.950 -0.066 0.000 2.608 1339 F HA 0.261 4.788 4.527 -0.000 0.000 0.309 1339 F C -0.716 175.091 175.800 0.011 0.000 1.103 1339 F CA -1.286 56.722 58.000 0.014 0.000 0.954 1339 F CB 2.004 41.040 39.000 0.060 0.000 1.267 1339 F HN -0.116 nan 8.300 nan 0.000 0.444 1340 D N 3.402 123.927 120.400 0.208 0.000 2.432 1340 D HA 0.290 4.930 4.640 -0.000 0.000 0.265 1340 D C -1.049 175.326 176.300 0.125 0.000 1.160 1340 D CA -0.198 53.878 54.000 0.126 0.000 0.911 1340 D CB 1.520 42.365 40.800 0.074 0.000 1.052 1340 D HN 0.218 nan 8.370 nan 0.000 0.508 1341 L N 2.214 123.504 121.223 0.112 0.000 2.265 1341 L HA 0.399 4.739 4.340 -0.000 0.000 0.288 1341 L C -0.679 176.220 176.870 0.048 0.000 1.058 1341 L CA -0.229 54.654 54.840 0.072 0.000 0.809 1341 L CB 0.539 42.623 42.059 0.042 0.000 1.179 1341 L HN -0.039 nan 8.230 nan 0.000 0.429 1342 K N 4.123 124.543 120.400 0.034 0.000 2.450 1342 K HA 0.643 4.963 4.320 -0.000 0.000 0.257 1342 K C -1.304 175.294 176.600 -0.002 0.000 0.953 1342 K CA -0.329 55.971 56.287 0.022 0.000 0.844 1342 K CB 2.022 34.535 32.500 0.020 0.000 1.103 1342 K HN 0.354 nan 8.250 nan 0.000 0.429 1343 V N 2.448 122.363 119.914 0.002 0.000 2.555 1343 V HA 0.610 4.730 4.120 -0.000 0.000 0.302 1343 V C -0.466 175.610 176.094 -0.030 0.000 1.038 1343 V CA -0.627 61.650 62.300 -0.039 0.000 0.887 1343 V CB 2.075 33.889 31.823 -0.016 0.000 0.991 1343 V HN 0.788 nan 8.190 nan 0.000 0.434 1344 T N 5.185 119.680 114.554 -0.098 0.000 2.933 1344 T HA 0.620 4.970 4.350 -0.000 0.000 0.305 1344 T C -1.048 173.563 174.700 -0.149 0.000 1.092 1344 T CA -0.299 61.755 62.100 -0.077 0.000 1.008 1344 T CB 1.978 70.811 68.868 -0.057 0.000 1.102 1344 T HN 0.462 nan 8.240 nan 0.000 0.469 1345 I N 2.638 123.147 120.570 -0.102 0.000 2.433 1345 I HA 0.622 4.792 4.170 -0.000 0.000 0.292 1345 I C -1.029 175.029 176.117 -0.098 0.000 1.001 1345 I CA -0.460 60.754 61.300 -0.142 0.000 1.119 1345 I CB 0.953 38.893 38.000 -0.101 0.000 1.289 1345 I HN 0.512 nan 8.210 nan 0.000 0.438 1346 K N 7.222 127.555 120.400 -0.113 0.000 2.502 1346 K HA 0.574 4.893 4.320 -0.000 0.000 0.257 1346 K C -2.664 173.893 176.600 -0.072 0.000 0.938 1346 K CA -1.652 54.590 56.287 -0.076 0.000 0.819 1346 K CB 1.827 34.288 32.500 -0.066 0.000 1.333 1346 K HN 0.254 nan 8.250 nan 0.000 0.434 1347 P HA 0.028 nan 4.420 nan 0.000 0.274 1347 P C -1.194 176.087 177.300 -0.031 0.000 1.264 1347 P CA -0.312 62.771 63.100 -0.029 0.000 0.795 1347 P CB 0.472 32.164 31.700 -0.014 0.000 1.064 1348 A N 0.087 122.897 122.820 -0.017 0.000 2.356 1348 A HA 0.703 5.023 4.320 -0.000 0.000 0.323 1348 A C -2.005 175.576 177.584 -0.004 0.000 1.119 1348 A CA -1.116 50.911 52.037 -0.015 0.000 0.790 1348 A CB -1.218 17.774 19.000 -0.013 0.000 1.273 1348 A HN 0.447 nan 8.150 nan 0.000 0.452 1360 N N 1.211 119.935 118.700 0.039 0.000 2.171 1360 N HA -0.050 4.689 4.740 -0.000 0.000 0.184 1360 N C -0.286 175.285 175.510 0.101 0.000 1.021 1360 N CA 1.777 54.872 53.050 0.075 0.000 0.854 1360 N CB -0.338 38.213 38.487 0.106 0.000 0.994 1360 N HN 0.464 nan 8.380 nan 0.000 0.426 1361 T N 0.290 114.932 114.554 0.147 0.000 0.543 1361 T HA -0.232 4.118 4.350 -0.000 0.000 0.774 1361 T C -0.498 174.209 174.700 0.012 0.000 0.992 1361 T CA 0.672 62.803 62.100 0.052 0.000 4.076 1361 T CB -0.491 68.342 68.868 -0.059 0.000 2.302 1361 T HN 0.140 nan 8.240 nan 0.000 0.398 1362 M N 3.850 123.429 119.600 -0.035 0.000 2.704 1362 M HA 0.640 5.120 4.480 -0.000 0.000 0.284 1362 M C -0.477 175.734 176.300 -0.148 0.000 1.275 1362 M CA -1.057 54.194 55.300 -0.081 0.000 0.811 1362 M CB 2.081 34.624 32.600 -0.096 0.000 1.741 1362 M HN 0.494 nan 8.290 nan 0.000 0.458 1363 I N 1.934 122.404 120.570 -0.165 0.000 2.378 1363 I HA 0.372 4.541 4.170 -0.000 0.000 0.291 1363 I C -1.285 174.649 176.117 -0.304 0.000 0.992 1363 I CA -0.813 60.360 61.300 -0.211 0.000 1.154 1363 I CB 1.744 39.656 38.000 -0.146 0.000 1.315 1363 I HN 0.357 nan 8.210 nan 0.000 0.448 1364 L N 7.073 128.014 121.223 -0.469 0.000 2.313 1364 L HA 0.381 4.721 4.340 -0.000 0.000 0.273 1364 L C -0.131 176.431 176.870 -0.514 0.000 1.028 1364 L CA -0.030 54.448 54.840 -0.603 0.000 0.871 1364 L CB 0.872 42.377 42.059 -0.923 0.000 1.242 1364 L HN 0.555 nan 8.230 nan 0.000 0.434 1365 E N 5.054 125.061 120.200 -0.321 0.000 2.200 1365 E HA 0.418 4.768 4.350 -0.000 0.000 0.283 1365 E C -1.126 175.370 176.600 -0.174 0.000 1.015 1365 E CA -0.399 55.878 56.400 -0.206 0.000 0.819 1365 E CB 0.862 30.483 29.700 -0.131 0.000 1.081 1365 E HN 0.641 nan 8.360 nan 0.000 0.397 1366 I N 5.447 125.945 120.570 -0.120 0.000 2.420 1366 I HA 0.267 4.437 4.170 -0.000 0.000 0.282 1366 I C -0.659 175.445 176.117 -0.023 0.000 1.019 1366 I CA -0.833 60.422 61.300 -0.074 0.000 1.130 1366 I CB 1.201 39.166 38.000 -0.058 0.000 1.262 1366 I HN 0.533 nan 8.210 nan 0.000 0.454 1367 c N 3.669 122.263 118.600 -0.011 0.000 2.366 1367 c HA 0.796 5.365 4.570 -0.000 0.000 0.345 1367 c C 0.635 174.751 174.090 0.044 0.000 1.209 1367 c CA -0.290 56.048 56.329 0.016 0.000 2.050 1367 c CB 1.413 43.931 42.510 0.013 0.000 2.359 1367 c HN 0.770 nan 8.230 nan 0.000 0.527 1368 T N 2.145 116.741 114.554 0.071 0.000 2.932 1368 T HA 0.656 5.006 4.350 -0.000 0.000 0.318 1368 T C -1.208 173.579 174.700 0.145 0.000 1.265 1368 T CA -0.510 61.666 62.100 0.126 0.000 1.036 1368 T CB 1.251 70.210 68.868 0.152 0.000 1.209 1368 T HN 0.893 nan 8.240 nan 0.000 0.484 1369 R N 1.829 122.440 120.500 0.185 0.000 2.799 1369 R HA 0.613 4.952 4.340 -0.000 0.000 0.270 1369 R C -2.101 174.290 176.300 0.152 0.000 1.010 1369 R CA -0.810 55.382 56.100 0.152 0.000 0.916 1369 R CB 1.828 32.182 30.300 0.090 0.000 1.228 1369 R HN 0.688 nan 8.270 nan 0.000 0.469 1370 Y N 1.414 121.689 120.300 -0.042 0.000 2.364 1370 Y HA 0.441 4.991 4.550 -0.000 0.000 0.340 1370 Y C -0.668 175.159 175.900 -0.121 0.000 0.975 1370 Y CA -0.773 57.193 58.100 -0.225 0.000 1.089 1370 Y CB 1.478 39.814 38.460 -0.207 0.000 1.192 1370 Y HN 0.434 nan 8.280 nan 0.000 0.454 1371 R N 4.722 124.757 120.500 -0.775 0.000 2.419 1371 R HA 0.520 4.860 4.340 -0.000 0.000 0.305 1371 R C -0.339 175.595 176.300 -0.610 0.000 1.242 1371 R CA 0.013 55.808 56.100 -0.508 0.000 1.105 1371 R CB -0.041 30.031 30.300 -0.380 0.000 1.116 1371 R HN 0.897 nan 8.270 nan 0.000 0.523 1372 G N 0.543 109.198 108.800 -0.242 0.000 2.495 1372 G HA2 0.036 3.996 3.960 -0.000 0.000 0.294 1372 G HA3 0.036 3.996 3.960 -0.000 0.000 0.294 1372 G C -0.831 173.914 174.900 -0.258 0.000 1.397 1372 G CA -0.602 44.436 45.100 -0.103 0.000 0.790 1372 G HN 0.269 nan 8.290 nan 0.000 0.486 1373 D N 0.024 120.262 120.400 -0.270 0.000 2.349 1373 D HA 0.183 4.823 4.640 -0.000 0.000 0.214 1373 D C 0.265 176.253 176.300 -0.519 0.000 1.063 1373 D CA 0.669 54.398 54.000 -0.452 0.000 0.847 1373 D CB 0.636 41.331 40.800 -0.175 0.000 0.933 1373 D HN 0.192 nan 8.370 nan 0.000 0.513 1374 Q N 0.737 120.343 119.800 -0.324 0.000 2.323 1374 Q HA 0.219 4.559 4.340 -0.000 0.000 0.271 1374 Q C -0.948 175.082 176.000 0.050 0.000 1.048 1374 Q CA -0.623 55.130 55.803 -0.083 0.000 0.792 1374 Q CB 1.991 30.709 28.738 -0.033 0.000 1.280 1374 Q HN -0.075 nan 8.270 nan 0.000 0.441 1375 D N 2.022 122.544 120.400 0.202 0.000 2.402 1375 D HA 0.143 4.782 4.640 -0.000 0.000 0.268 1375 D C 0.214 176.457 176.300 -0.096 0.000 1.294 1375 D CA 0.387 54.464 54.000 0.128 0.000 0.945 1375 D CB 0.318 41.175 40.800 0.096 0.000 1.112 1375 D HN 0.540 nan 8.370 nan 0.000 0.517 1376 A N 3.170 125.771 122.820 -0.366 0.000 2.587 1376 A HA 0.185 4.505 4.320 -0.000 0.000 0.233 1376 A C 1.473 178.973 177.584 -0.140 0.000 1.049 1376 A CA 0.295 52.000 52.037 -0.553 0.000 0.754 1376 A CB 0.012 18.461 19.000 -0.918 0.000 0.977 1376 A HN 0.628 nan 8.150 nan 0.000 0.509 1377 T N 1.365 115.914 114.554 -0.008 0.000 5.193 1377 T HA 0.303 4.653 4.350 -0.000 0.000 0.380 1377 T C 0.758 175.543 174.700 0.141 0.000 1.047 1377 T CA 0.201 62.370 62.100 0.116 0.000 0.901 1377 T CB -0.182 68.848 68.868 0.269 0.000 1.613 1377 T HN 0.523 nan 8.240 nan 0.000 0.435 1378 M N 1.811 121.542 119.600 0.219 0.000 2.227 1378 M HA 0.350 4.830 4.480 -0.000 0.000 0.349 1378 M C -0.328 176.092 176.300 0.200 0.000 1.443 1378 M CA -0.111 55.288 55.300 0.164 0.000 1.110 1378 M CB 0.587 33.219 32.600 0.055 0.000 1.773 1378 M HN 0.475 nan 8.290 nan 0.000 0.463 1379 S N 2.910 118.671 115.700 0.101 0.000 2.689 1379 S HA 0.811 5.281 4.470 -0.000 0.000 0.306 1379 S C -0.625 173.901 174.600 -0.123 0.000 1.104 1379 S CA -0.752 57.444 58.200 -0.006 0.000 0.973 1379 S CB 1.645 64.867 63.200 0.037 0.000 1.121 1379 S HN 0.470 nan 8.310 nan 0.000 0.523 1380 I N 1.092 121.418 120.570 -0.407 0.000 2.569 1380 I HA 0.431 4.601 4.170 -0.000 0.000 0.296 1380 I C -1.001 174.837 176.117 -0.465 0.000 1.028 1380 I CA -0.193 60.802 61.300 -0.509 0.000 1.082 1380 I CB 1.449 38.973 38.000 -0.793 0.000 1.264 1380 I HN 0.394 nan 8.210 nan 0.000 0.429 1381 L N 4.802 125.819 121.223 -0.342 0.000 2.335 1381 L HA 0.359 4.699 4.340 -0.000 0.000 0.268 1381 L C -0.701 176.057 176.870 -0.187 0.000 1.037 1381 L CA -0.410 54.296 54.840 -0.223 0.000 0.895 1381 L CB 0.698 42.667 42.059 -0.149 0.000 1.266 1381 L HN 0.503 nan 8.230 nan 0.000 0.439 1382 D N 4.435 124.762 120.400 -0.120 0.000 2.422 1382 D HA 0.317 4.957 4.640 -0.000 0.000 0.227 1382 D C -0.256 176.029 176.300 -0.024 0.000 1.190 1382 D CA 0.010 53.978 54.000 -0.054 0.000 0.905 1382 D CB 0.454 41.276 40.800 0.037 0.000 1.034 1382 D HN 0.249 nan 8.370 nan 0.000 0.507 1383 I N 1.985 122.548 120.570 -0.012 0.000 2.437 1383 I HA 0.260 4.430 4.170 -0.000 0.000 0.298 1383 I C 0.204 176.366 176.117 0.074 0.000 0.984 1383 I CA -0.854 60.479 61.300 0.054 0.000 1.214 1383 I CB 1.783 39.846 38.000 0.104 0.000 1.365 1383 I HN 0.286 nan 8.210 nan 0.000 0.469 1384 S N 6.549 122.320 115.700 0.117 0.000 2.640 1384 S HA 0.545 5.014 4.470 -0.000 0.000 0.320 1384 S C -0.334 174.369 174.600 0.171 0.000 1.097 1384 S CA -1.018 57.244 58.200 0.103 0.000 1.092 1384 S CB 1.181 64.413 63.200 0.053 0.000 0.988 1384 S HN 0.386 nan 8.310 nan 0.000 0.470 1385 M N 2.996 122.709 119.600 0.187 0.000 2.240 1385 M HA 0.242 4.722 4.480 -0.000 0.000 0.317 1385 M C 0.446 176.854 176.300 0.180 0.000 1.087 1385 M CA 0.462 55.915 55.300 0.254 0.000 1.176 1385 M CB -0.168 32.598 32.600 0.275 0.000 1.439 1385 M HN 0.687 nan 8.290 nan 0.000 0.452 1386 M N 0.597 120.307 119.600 0.183 0.000 2.233 1386 M HA 0.076 4.555 4.480 -0.000 0.000 0.350 1386 M C 0.688 177.171 176.300 0.305 0.000 1.176 1386 M CA -0.029 55.350 55.300 0.132 0.000 1.150 1386 M CB 0.423 32.998 32.600 -0.042 0.000 1.530 1386 M HN 0.631 nan 8.290 nan 0.000 0.459 1387 T N 1.978 116.656 114.554 0.205 0.000 2.738 1387 T HA 0.245 4.595 4.350 -0.000 0.000 0.277 1387 T C 1.047 175.834 174.700 0.144 0.000 0.981 1387 T CA 1.527 63.717 62.100 0.150 0.000 1.211 1387 T CB -0.533 68.386 68.868 0.085 0.000 0.932 1387 T HN 0.963 nan 8.240 nan 0.000 0.522 1388 G N 3.837 112.620 108.800 -0.029 0.000 2.163 1388 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.213 1388 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.213 1388 G C -0.162 174.319 174.900 -0.698 0.000 0.991 1388 G CA -0.323 44.493 45.100 -0.474 0.000 0.653 1388 G HN 0.660 nan 8.290 nan 0.000 0.518 1389 F N 0.682 120.650 119.950 0.030 0.000 2.563 1389 F HA 0.819 5.346 4.527 -0.000 0.000 0.316 1389 F C 0.322 176.408 175.800 0.478 0.000 1.076 1389 F CA -0.297 57.851 58.000 0.246 0.000 0.921 1389 F CB 2.532 41.635 39.000 0.171 0.000 1.209 1389 F HN 0.446 nan 8.300 nan 0.000 0.462 1390 A N 3.064 126.292 122.820 0.679 0.000 2.455 1390 A HA 0.818 5.138 4.320 -0.000 0.000 0.300 1390 A C -3.041 174.739 177.584 0.327 0.000 1.040 1390 A CA -1.976 50.312 52.037 0.418 0.000 0.697 1390 A CB 1.537 20.694 19.000 0.261 0.000 1.265 1390 A HN 0.382 nan 8.150 nan 0.000 0.407 1391 P HA 0.112 nan 4.420 nan 0.000 0.267 1391 P C -0.752 176.614 177.300 0.110 0.000 1.200 1391 P CA 0.190 63.417 63.100 0.212 0.000 0.772 1391 P CB 0.483 32.188 31.700 0.009 0.000 0.855 1392 D N 1.028 121.581 120.400 0.256 0.000 2.339 1392 D HA 0.003 4.643 4.640 -0.000 0.000 0.256 1392 D C 1.241 177.585 176.300 0.072 0.000 1.214 1392 D CA 0.220 54.392 54.000 0.287 0.000 0.877 1392 D CB 0.457 41.475 40.800 0.364 0.000 1.111 1392 D HN 0.335 nan 8.370 nan 0.000 0.478 1393 T N 1.058 115.599 114.554 -0.022 0.000 2.665 1393 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 1393 T C 1.228 175.912 174.700 -0.026 0.000 1.035 1393 T CA 1.292 63.342 62.100 -0.084 0.000 1.151 1393 T CB -0.171 68.640 68.868 -0.095 0.000 0.862 1393 T HN 0.301 nan 8.240 nan 0.000 0.438 1394 D N 1.845 122.267 120.400 0.037 0.000 2.123 1394 D HA -0.084 4.556 4.640 -0.000 0.000 0.196 1394 D C 1.935 178.252 176.300 0.029 0.000 0.992 1394 D CA 1.440 55.463 54.000 0.037 0.000 0.833 1394 D CB -0.592 40.249 40.800 0.069 0.000 0.954 1394 D HN 0.453 nan 8.370 nan 0.000 0.455 1395 D N -0.141 120.291 120.400 0.054 0.000 2.219 1395 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 1395 D C 2.256 178.548 176.300 -0.013 0.000 0.970 1395 D CA 0.225 54.257 54.000 0.054 0.000 0.851 1395 D CB -0.217 40.661 40.800 0.131 0.000 0.943 1395 D HN 0.238 nan 8.370 nan 0.000 0.488 1396 L N 0.118 121.294 121.223 -0.078 0.000 2.093 1396 L HA -0.133 4.206 4.340 -0.000 0.000 0.208 1396 L C 2.111 178.913 176.870 -0.112 0.000 1.085 1396 L CA 0.919 55.661 54.840 -0.163 0.000 0.755 1396 L CB -0.215 41.712 42.059 -0.219 0.000 0.904 1396 L HN -0.108 nan 8.230 nan 0.000 0.435 1397 K N -0.060 120.296 120.400 -0.073 0.000 2.147 1397 K HA -0.203 4.116 4.320 -0.000 0.000 0.205 1397 K C 2.066 178.647 176.600 -0.032 0.000 1.049 1397 K CA 0.978 57.234 56.287 -0.052 0.000 0.936 1397 K CB -0.249 32.230 32.500 -0.034 0.000 0.722 1397 K HN 0.090 nan 8.250 nan 0.000 0.446 1398 Q N 0.438 120.226 119.800 -0.020 0.000 2.119 1398 Q HA 0.010 4.350 4.340 -0.000 0.000 0.201 1398 Q C 1.626 177.622 176.000 -0.007 0.000 0.972 1398 Q CA 1.436 57.237 55.803 -0.004 0.000 0.847 1398 Q CB -0.053 28.692 28.738 0.011 0.000 0.903 1398 Q HN 0.316 nan 8.270 nan 0.000 0.433 1399 L N -0.508 120.702 121.223 -0.022 0.000 2.240 1399 L HA 0.067 4.406 4.340 -0.000 0.000 0.211 1399 L C 2.281 179.134 176.870 -0.028 0.000 1.106 1399 L CA 0.659 55.485 54.840 -0.023 0.000 0.793 1399 L CB -0.588 41.444 42.059 -0.044 0.000 0.927 1399 L HN 0.262 nan 8.230 nan 0.000 0.446 1400 A N 0.589 123.380 122.820 -0.049 0.000 1.873 1400 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 1400 A C 1.917 179.504 177.584 0.006 0.000 1.186 1400 A CA 1.611 53.621 52.037 -0.046 0.000 0.616 1400 A CB -0.431 18.518 19.000 -0.084 0.000 0.823 1400 A HN 0.389 nan 8.150 nan 0.000 0.442 1401 N N 0.531 119.233 118.700 0.004 0.000 2.494 1401 N HA 0.046 4.786 4.740 -0.000 0.000 0.182 1401 N C 1.039 176.563 175.510 0.023 0.000 1.076 1401 N CA 0.721 53.782 53.050 0.018 0.000 0.908 1401 N CB -0.518 37.974 38.487 0.010 0.000 0.967 1401 N HN 0.444 nan 8.380 nan 0.000 0.449 1402 G N 0.272 109.084 108.800 0.021 0.000 2.664 1402 G HA2 0.211 4.171 3.960 -0.000 0.000 0.242 1402 G HA3 0.211 4.171 3.960 -0.000 0.000 0.242 1402 G C -0.089 174.829 174.900 0.031 0.000 1.225 1402 G CA -0.377 44.736 45.100 0.023 0.000 0.849 1402 G HN 0.090 nan 8.290 nan 0.000 0.581 1403 V N 0.927 120.856 119.914 0.026 0.000 2.686 1403 V HA 0.285 4.405 4.120 -0.000 0.000 0.295 1403 V C 0.500 176.613 176.094 0.032 0.000 1.055 1403 V CA 0.440 62.755 62.300 0.026 0.000 1.050 1403 V CB 0.906 32.739 31.823 0.017 0.000 0.984 1403 V HN 0.947 nan 8.190 nan 0.000 0.482 1404 D N 3.086 123.506 120.400 0.034 0.000 3.059 1404 D HA -0.156 4.484 4.640 -0.000 0.000 0.220 1404 D C 0.104 176.441 176.300 0.061 0.000 1.169 1404 D CA 1.229 55.252 54.000 0.039 0.000 0.902 1404 D CB -0.839 39.980 40.800 0.032 0.000 1.116 1404 D HN 0.774 nan 8.370 nan 0.000 0.417 1405 R N -0.465 120.082 120.500 0.078 0.000 2.673 1405 R HA 0.628 4.968 4.340 -0.000 0.000 0.281 1405 R C -1.157 175.246 176.300 0.172 0.000 0.991 1405 R CA -0.852 55.309 56.100 0.100 0.000 0.896 1405 R CB 2.455 32.787 30.300 0.053 0.000 1.201 1405 R HN 0.099 nan 8.270 nan 0.000 0.457 1406 Y N 2.799 123.127 120.300 0.047 0.000 2.482 1406 Y HA 0.537 5.087 4.550 -0.000 0.000 0.334 1406 Y C -1.794 174.176 175.900 0.118 0.000 1.091 1406 Y CA -0.782 57.351 58.100 0.056 0.000 1.027 1406 Y CB 1.493 39.971 38.460 0.031 0.000 1.306 1406 Y HN 0.514 nan 8.280 nan 0.000 0.446 1407 I N 5.421 125.562 120.570 -0.716 0.000 2.466 1407 I HA 0.320 4.490 4.170 -0.000 0.000 0.289 1407 I C -0.300 175.337 176.117 -0.801 0.000 1.026 1407 I CA -1.141 59.818 61.300 -0.569 0.000 1.078 1407 I CB 2.183 40.001 38.000 -0.304 0.000 1.249 1407 I HN 0.763 nan 8.210 nan 0.000 0.429 1408 S N 4.783 120.196 115.700 -0.478 0.000 2.563 1408 S HA -0.044 4.426 4.470 -0.000 0.000 0.294 1408 S C 1.102 175.638 174.600 -0.106 0.000 1.279 1408 S CA -0.260 57.822 58.200 -0.197 0.000 1.069 1408 S CB 0.953 64.224 63.200 0.119 0.000 0.828 1408 S HN 0.865 nan 8.310 nan 0.000 0.497 1409 K N 2.166 122.551 120.400 -0.024 0.000 2.152 1409 K HA -0.240 4.080 4.320 -0.000 0.000 0.206 1409 K C 1.649 178.265 176.600 0.026 0.000 1.048 1409 K CA 1.630 57.916 56.287 -0.001 0.000 0.933 1409 K CB -0.365 32.163 32.500 0.047 0.000 0.721 1409 K HN 0.871 nan 8.250 nan 0.000 0.447 1410 Y N 1.239 121.518 120.300 -0.035 0.000 2.483 1410 Y HA -0.174 4.376 4.550 -0.000 0.000 0.291 1410 Y C 1.890 177.757 175.900 -0.056 0.000 1.143 1410 Y CA 1.702 59.783 58.100 -0.032 0.000 1.289 1410 Y CB 0.114 38.569 38.460 -0.007 0.000 0.983 1410 Y HN 0.219 nan 8.280 nan 0.000 0.556 1411 E N -0.572 119.596 120.200 -0.053 0.000 2.216 1411 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 1411 E C 1.707 178.191 176.600 -0.193 0.000 0.973 1411 E CA 0.656 56.974 56.400 -0.137 0.000 0.851 1411 E CB -0.271 29.385 29.700 -0.073 0.000 0.804 1411 E HN 0.394 nan 8.360 nan 0.000 0.477 1412 L N 1.501 122.624 121.223 -0.166 0.000 2.017 1412 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 1412 L C 0.541 177.306 176.870 -0.175 0.000 1.073 1412 L CA 1.627 56.367 54.840 -0.166 0.000 0.745 1412 L CB -0.777 41.204 42.059 -0.130 0.000 0.894 1412 L HN 0.213 nan 8.230 nan 0.000 0.432 1413 D N -0.620 119.674 120.400 -0.177 0.000 2.558 1413 D HA 0.093 4.732 4.640 -0.000 0.000 0.221 1413 D C 0.533 176.696 176.300 -0.228 0.000 1.143 1413 D CA 0.061 53.958 54.000 -0.173 0.000 1.010 1413 D CB 0.119 40.838 40.800 -0.135 0.000 1.068 1413 D HN 0.249 nan 8.370 nan 0.000 0.511 1414 K N 0.459 120.724 120.400 -0.225 0.000 2.562 1414 K HA 0.431 4.751 4.320 -0.000 0.000 0.218 1414 K C 0.589 177.068 176.600 -0.202 0.000 1.374 1414 K CA 0.089 56.235 56.287 -0.235 0.000 0.996 1414 K CB 0.975 33.316 32.500 -0.265 0.000 1.127 1414 K HN 0.358 nan 8.250 nan 0.000 0.603 1415 A N 1.070 123.769 122.820 -0.202 0.000 6.204 1415 A HA -0.272 4.048 4.320 -0.000 0.000 0.272 1415 A C 0.279 177.694 177.584 -0.282 0.000 2.040 1415 A CA 1.058 52.990 52.037 -0.176 0.000 0.717 1415 A CB -1.431 17.537 19.000 -0.053 0.000 1.126 1415 A HN 0.265 nan 8.150 nan 0.000 0.378 1416 F N 0.743 120.581 119.950 -0.186 0.000 2.725 1416 F HA 0.197 4.724 4.527 -0.000 0.000 0.303 1416 F C 2.235 177.778 175.800 -0.429 0.000 1.167 1416 F CA 1.170 58.985 58.000 -0.308 0.000 1.403 1416 F CB -0.037 38.804 39.000 -0.265 0.000 1.077 1416 F HN 0.616 nan 8.300 nan 0.000 0.537 1417 S N 0.137 115.737 115.700 -0.167 0.000 2.380 1417 S HA -0.121 4.349 4.470 -0.000 0.000 0.213 1417 S C 0.667 175.137 174.600 -0.217 0.000 1.037 1417 S CA 1.424 59.522 58.200 -0.170 0.000 1.034 1417 S CB -0.049 63.076 63.200 -0.124 0.000 1.022 1417 S HN 0.204 nan 8.310 nan 0.000 0.418 1418 D N 0.324 120.611 120.400 -0.189 0.000 2.621 1418 D HA 0.253 4.892 4.640 -0.000 0.000 0.274 1418 D C -0.657 175.558 176.300 -0.141 0.000 1.215 1418 D CA -0.108 53.803 54.000 -0.148 0.000 0.810 1418 D CB 0.529 41.265 40.800 -0.107 0.000 1.248 1418 D HN 0.244 nan 8.370 nan 0.000 0.517 1419 R N 1.879 122.286 120.500 -0.156 0.000 3.130 1419 R HA 0.071 4.410 4.340 -0.000 0.000 0.348 1419 R C 0.649 176.925 176.300 -0.040 0.000 1.241 1419 R CA -0.217 55.805 56.100 -0.130 0.000 1.141 1419 R CB -0.092 30.085 30.300 -0.203 0.000 1.453 1419 R HN 0.027 nan 8.270 nan 0.000 0.590 1420 N N -0.585 118.116 118.700 0.002 0.000 2.461 1420 N HA -0.070 4.669 4.740 -0.000 0.000 0.188 1420 N C -0.345 175.192 175.510 0.045 0.000 1.134 1420 N CA 0.281 53.372 53.050 0.068 0.000 0.878 1420 N CB 0.446 38.978 38.487 0.075 0.000 0.972 1420 N HN 0.174 nan 8.380 nan 0.000 0.456 1421 T N -1.799 112.757 114.554 0.003 0.000 2.890 1421 T HA 0.565 4.915 4.350 -0.000 0.000 0.295 1421 T C -0.964 173.715 174.700 -0.034 0.000 0.993 1421 T CA -0.988 61.109 62.100 -0.004 0.000 0.979 1421 T CB 1.445 70.305 68.868 -0.014 0.000 0.967 1421 T HN 0.059 nan 8.240 nan 0.000 0.441 1422 L N 3.696 124.896 121.223 -0.039 0.000 2.362 1422 L HA 0.792 5.132 4.340 -0.000 0.000 0.271 1422 L C -1.426 175.369 176.870 -0.125 0.000 1.002 1422 L CA -1.261 53.520 54.840 -0.099 0.000 0.818 1422 L CB 1.605 43.580 42.059 -0.139 0.000 1.298 1422 L HN 0.828 nan 8.230 nan 0.000 0.420 1423 I N 6.285 126.746 120.570 -0.181 0.000 2.439 1423 I HA 0.387 4.556 4.170 -0.000 0.000 0.283 1423 I C -0.832 175.054 176.117 -0.385 0.000 1.023 1423 I CA -0.327 60.796 61.300 -0.296 0.000 1.100 1423 I CB 1.578 39.370 38.000 -0.346 0.000 1.238 1423 I HN 0.472 nan 8.210 nan 0.000 0.445 1424 I N 6.658 127.021 120.570 -0.345 0.000 2.330 1424 I HA 0.253 4.423 4.170 -0.000 0.000 0.286 1424 I C -0.686 175.293 176.117 -0.230 0.000 1.025 1424 I CA -0.661 60.490 61.300 -0.248 0.000 1.197 1424 I CB 0.474 38.377 38.000 -0.162 0.000 1.358 1424 I HN 0.388 nan 8.210 nan 0.000 0.467 1425 Y N 6.470 126.761 120.300 -0.015 0.000 2.465 1425 Y HA 0.288 4.838 4.550 -0.000 0.000 0.331 1425 Y C 0.295 176.217 175.900 0.037 0.000 1.102 1425 Y CA -0.021 58.099 58.100 0.033 0.000 1.358 1425 Y CB 0.406 38.959 38.460 0.155 0.000 1.213 1425 Y HN 0.365 nan 8.280 nan 0.000 0.525 1426 L N 3.455 124.759 121.223 0.135 0.000 2.331 1426 L HA 0.338 4.678 4.340 -0.000 0.000 0.275 1426 L C 0.196 177.121 176.870 0.091 0.000 1.022 1426 L CA -0.705 54.191 54.840 0.092 0.000 0.812 1426 L CB 1.599 43.688 42.059 0.051 0.000 1.257 1426 L HN 0.604 nan 8.230 nan 0.000 0.435 1427 D N 0.903 121.344 120.400 0.068 0.000 2.216 1427 D HA 0.019 4.659 4.640 -0.000 0.000 0.208 1427 D C 0.068 176.395 176.300 0.044 0.000 0.960 1427 D CA 1.068 55.093 54.000 0.042 0.000 0.861 1427 D CB 0.397 41.211 40.800 0.023 0.000 0.985 1427 D HN 0.505 nan 8.370 nan 0.000 0.493 1428 K N -0.914 119.514 120.400 0.047 0.000 2.587 1428 K HA 0.499 4.819 4.320 -0.000 0.000 0.276 1428 K C -1.463 175.166 176.600 0.048 0.000 0.956 1428 K CA -0.993 55.318 56.287 0.040 0.000 0.857 1428 K CB 2.134 34.650 32.500 0.026 0.000 1.431 1428 K HN -0.165 nan 8.250 nan 0.000 0.420 1429 V N -1.409 118.533 119.914 0.047 0.000 2.488 1429 V HA 0.460 4.579 4.120 -0.000 0.000 0.293 1429 V C 0.018 176.153 176.094 0.068 0.000 1.027 1429 V CA -0.723 61.622 62.300 0.075 0.000 0.862 1429 V CB 1.100 33.012 31.823 0.149 0.000 1.008 1429 V HN 0.889 nan 8.190 nan 0.000 0.428 1430 S N 3.215 118.943 115.700 0.047 0.000 2.558 1430 S HA 0.070 4.540 4.470 -0.000 0.000 0.287 1430 S C 1.195 175.835 174.600 0.067 0.000 1.321 1430 S CA 0.571 58.778 58.200 0.011 0.000 1.048 1430 S CB 0.134 63.302 63.200 -0.054 0.000 0.844 1430 S HN 1.185 nan 8.310 nan 0.000 0.512 1431 H N 2.203 121.325 119.070 0.086 0.000 2.551 1431 H HA 0.300 4.855 4.556 -0.000 0.000 0.271 1431 H C 1.198 176.563 175.328 0.063 0.000 0.984 1431 H CA 0.298 56.416 56.048 0.117 0.000 1.164 1431 H CB -0.173 29.690 29.762 0.168 0.000 1.437 1431 H HN 0.438 nan 8.280 nan 0.000 0.550 1432 S N 0.671 116.202 115.700 -0.282 0.000 2.297 1432 S HA 0.030 4.500 4.470 -0.000 0.000 0.200 1432 S C 0.844 175.414 174.600 -0.050 0.000 1.011 1432 S CA 0.136 58.234 58.200 -0.169 0.000 0.938 1432 S CB 0.425 63.491 63.200 -0.224 0.000 0.924 1432 S HN 0.465 nan 8.310 nan 0.000 0.504 1433 E N 0.920 121.091 120.200 -0.048 0.000 3.099 1433 E HA 0.305 4.655 4.350 -0.000 0.000 0.259 1433 E C -1.258 175.348 176.600 0.011 0.000 1.274 1433 E CA -0.584 55.809 56.400 -0.012 0.000 1.111 1433 E CB 0.283 29.974 29.700 -0.014 0.000 1.327 1433 E HN 0.147 nan 8.360 nan 0.000 0.652 1434 D N 1.059 121.470 120.400 0.018 0.000 2.303 1434 D HA 0.208 4.848 4.640 -0.000 0.000 0.236 1434 D C -1.278 175.040 176.300 0.031 0.000 1.068 1434 D CA -0.381 53.640 54.000 0.035 0.000 0.830 1434 D CB 0.977 41.797 40.800 0.033 0.000 1.109 1434 D HN 0.118 nan 8.370 nan 0.000 0.496 1435 D N 1.727 122.153 120.400 0.044 0.000 2.470 1435 D HA 0.104 4.743 4.640 -0.000 0.000 0.226 1435 D C -0.206 176.116 176.300 0.037 0.000 1.196 1435 D CA -0.119 53.905 54.000 0.039 0.000 0.979 1435 D CB -0.117 40.712 40.800 0.049 0.000 1.059 1435 D HN 0.196 nan 8.370 nan 0.000 0.515 1436 c N 3.004 121.618 118.600 0.024 0.000 2.350 1436 c HA 0.680 5.249 4.570 -0.000 0.000 0.348 1436 c C 0.241 174.341 174.090 0.016 0.000 1.260 1436 c CA -0.846 55.492 56.329 0.015 0.000 1.966 1436 c CB -0.648 41.865 42.510 0.004 0.000 2.380 1436 c HN 0.491 nan 8.230 nan 0.000 0.535 1437 L N 1.669 122.902 121.223 0.018 0.000 2.277 1437 L HA 1.120 5.460 4.340 -0.000 0.000 0.254 1437 L C -0.305 176.578 176.870 0.020 0.000 1.044 1437 L CA -0.957 53.904 54.840 0.035 0.000 0.842 1437 L CB 0.881 42.979 42.059 0.065 0.000 1.422 1437 L HN 0.789 nan 8.230 nan 0.000 0.422 1438 A N 0.203 123.056 122.820 0.055 0.000 2.608 1438 A HA 0.902 5.221 4.320 -0.000 0.000 0.292 1438 A C -1.646 176.004 177.584 0.111 0.000 1.066 1438 A CA -0.351 51.669 52.037 -0.027 0.000 0.676 1438 A CB 1.357 20.302 19.000 -0.091 0.000 1.277 1438 A HN 1.507 nan 8.150 nan 0.000 0.413 1439 F N -0.991 118.917 119.950 -0.071 0.000 2.665 1439 F HA 0.692 5.219 4.527 -0.000 0.000 0.308 1439 F C -0.550 175.210 175.800 -0.067 0.000 1.112 1439 F CA -1.045 56.921 58.000 -0.056 0.000 0.972 1439 F CB 0.962 39.932 39.000 -0.051 0.000 1.295 1439 F HN 0.537 nan 8.300 nan 0.000 0.440 1440 K N 1.628 122.081 120.400 0.090 0.000 2.319 1440 K HA 0.584 4.904 4.320 -0.000 0.000 0.265 1440 K C -0.793 175.827 176.600 0.034 0.000 1.000 1440 K CA -0.573 55.690 56.287 -0.040 0.000 0.943 1440 K CB 1.439 33.897 32.500 -0.070 0.000 0.950 1440 K HN 0.680 nan 8.250 nan 0.000 0.485 1441 V N -0.332 119.538 119.914 -0.072 0.000 2.445 1441 V HA 0.264 4.384 4.120 -0.000 0.000 0.283 1441 V C -0.447 175.756 176.094 0.182 0.000 1.014 1441 V CA -1.033 61.341 62.300 0.123 0.000 0.852 1441 V CB 0.842 32.733 31.823 0.113 0.000 1.021 1441 V HN 0.667 nan 8.190 nan 0.000 0.435 1442 H N 2.993 122.303 119.070 0.400 0.000 2.547 1442 H HA 0.393 4.949 4.556 -0.000 0.000 0.362 1442 H C -0.434 175.071 175.328 0.296 0.000 1.181 1442 H CA -0.164 56.085 56.048 0.336 0.000 1.376 1442 H CB 2.010 31.951 29.762 0.298 0.000 1.488 1442 H HN 0.810 nan 8.280 nan 0.000 0.583 1443 Q N 2.272 122.148 119.800 0.128 0.000 2.466 1443 Q HA 0.069 4.409 4.340 -0.000 0.000 0.242 1443 Q C -0.058 175.827 176.000 -0.191 0.000 1.046 1443 Q CA -0.663 54.914 55.803 -0.377 0.000 0.841 1443 Q CB 0.237 28.556 28.738 -0.698 0.000 1.193 1443 Q HN 0.691 nan 8.270 nan 0.000 0.508 1444 Y N 3.059 123.313 120.300 -0.077 0.000 2.420 1444 Y HA 0.240 4.789 4.550 -0.000 0.000 0.292 1444 Y C -0.402 175.500 175.900 0.004 0.000 1.119 1444 Y CA -0.235 57.835 58.100 -0.050 0.000 1.229 1444 Y CB 0.254 38.748 38.460 0.057 0.000 1.026 1444 Y HN 0.396 nan 8.280 nan 0.000 0.554 1445 F N 2.301 121.765 119.950 -0.810 0.000 2.529 1445 F HA 0.452 4.979 4.527 -0.000 0.000 0.320 1445 F C -0.966 174.557 175.800 -0.462 0.000 1.118 1445 F CA -1.488 56.193 58.000 -0.533 0.000 0.915 1445 F CB 1.100 39.769 39.000 -0.552 0.000 1.161 1445 F HN -0.091 nan 8.300 nan 0.000 0.445 1446 N N 4.897 123.137 118.700 -0.767 0.000 2.421 1446 N HA 0.582 5.322 4.740 -0.000 0.000 0.285 1446 N C -1.906 173.345 175.510 -0.431 0.000 1.027 1446 N CA -0.068 52.688 53.050 -0.490 0.000 0.918 1446 N CB 1.906 40.163 38.487 -0.383 0.000 1.152 1446 N HN 0.617 nan 8.380 nan 0.000 0.485 1447 V N 3.080 122.909 119.914 -0.141 0.000 2.924 1447 V HA 0.268 4.388 4.120 -0.000 0.000 0.300 1447 V C -0.780 175.328 176.094 0.023 0.000 1.227 1447 V CA -0.865 61.428 62.300 -0.012 0.000 0.954 1447 V CB 1.798 33.727 31.823 0.177 0.000 1.055 1447 V HN 0.818 nan 8.190 nan 0.000 0.429 1448 E N 6.607 126.820 120.200 0.021 0.000 2.404 1448 E HA 0.453 4.803 4.350 -0.000 0.000 0.261 1448 E C -0.309 176.333 176.600 0.071 0.000 1.074 1448 E CA -0.302 56.119 56.400 0.036 0.000 0.917 1448 E CB 0.584 30.295 29.700 0.019 0.000 0.965 1448 E HN 0.848 nan 8.360 nan 0.000 0.433 1449 L N 1.159 122.432 121.223 0.083 0.000 3.546 1449 L HA -0.249 4.091 4.340 -0.000 0.000 0.668 1449 L C -0.245 176.715 176.870 0.150 0.000 1.139 1449 L CA 0.032 54.939 54.840 0.112 0.000 1.122 1449 L CB -1.891 40.225 42.059 0.095 0.000 1.545 1449 L HN 0.603 nan 8.230 nan 0.000 0.851 1450 I N -1.358 119.317 120.570 0.174 0.000 2.764 1450 I HA 0.471 4.641 4.170 -0.000 0.000 0.294 1450 I C 0.500 176.739 176.117 0.203 0.000 1.045 1450 I CA -0.102 61.309 61.300 0.186 0.000 1.340 1450 I CB 0.820 38.936 38.000 0.193 0.000 1.436 1450 I HN 0.401 nan 8.210 nan 0.000 0.567 1451 Q N 4.495 124.401 119.800 0.176 0.000 2.256 1451 Q HA 0.480 4.820 4.340 -0.000 0.000 0.254 1451 Q C -2.413 173.636 176.000 0.081 0.000 0.916 1451 Q CA -1.963 53.922 55.803 0.137 0.000 0.932 1451 Q CB 1.136 29.967 28.738 0.156 0.000 1.207 1451 Q HN 0.499 nan 8.270 nan 0.000 0.426 1452 P HA 0.023 nan 4.420 nan 0.000 0.267 1452 P C -0.450 176.754 177.300 -0.160 0.000 1.200 1452 P CA 0.082 63.179 63.100 -0.005 0.000 0.772 1452 P CB 0.676 32.389 31.700 0.023 0.000 0.855 1453 G N 0.746 109.168 108.800 -0.630 0.000 2.535 1453 G HA2 0.637 4.597 3.960 -0.000 0.000 0.303 1453 G HA3 0.637 4.597 3.960 -0.000 0.000 0.303 1453 G C -1.229 173.464 174.900 -0.345 0.000 1.237 1453 G CA -0.385 44.303 45.100 -0.688 0.000 0.986 1453 G HN 0.651 nan 8.290 nan 0.000 0.494 1454 A N -1.375 121.403 122.820 -0.071 0.000 2.547 1454 A HA 0.650 4.970 4.320 -0.000 0.000 0.297 1454 A C -1.357 176.210 177.584 -0.029 0.000 1.056 1454 A CA -0.405 51.526 52.037 -0.176 0.000 0.688 1454 A CB 1.806 20.535 19.000 -0.452 0.000 1.282 1454 A HN 1.180 nan 8.150 nan 0.000 0.400 1455 V N 1.703 121.561 119.914 -0.093 0.000 2.588 1455 V HA 0.639 4.759 4.120 -0.000 0.000 0.304 1455 V C -0.131 175.898 176.094 -0.108 0.000 1.042 1455 V CA -0.617 61.653 62.300 -0.050 0.000 0.877 1455 V CB 1.858 33.672 31.823 -0.015 0.000 0.996 1455 V HN 0.924 nan 8.190 nan 0.000 0.425 1456 K N 3.308 123.664 120.400 -0.074 0.000 2.378 1456 K HA 0.831 5.151 4.320 -0.000 0.000 0.252 1456 K C -1.308 175.250 176.600 -0.069 0.000 0.931 1456 K CA -0.583 55.672 56.287 -0.053 0.000 0.794 1456 K CB 2.280 34.786 32.500 0.010 0.000 1.181 1456 K HN 0.643 nan 8.250 nan 0.000 0.425 1457 V N 1.307 121.125 119.914 -0.159 0.000 2.656 1457 V HA 0.818 4.938 4.120 -0.000 0.000 0.307 1457 V C -1.377 174.398 176.094 -0.530 0.000 1.051 1457 V CA -0.576 61.474 62.300 -0.416 0.000 0.893 1457 V CB 0.810 32.297 31.823 -0.559 0.000 0.999 1457 V HN 0.904 nan 8.190 nan 0.000 0.426 1458 Y N 1.522 121.478 120.300 -0.574 0.000 2.774 1458 Y HA 0.899 5.449 4.550 -0.000 0.000 0.346 1458 Y C -0.289 175.534 175.900 -0.129 0.000 1.222 1458 Y CA -0.875 56.993 58.100 -0.388 0.000 1.088 1458 Y CB 0.552 38.881 38.460 -0.218 0.000 1.354 1458 Y HN 1.098 nan 8.280 nan 0.000 0.455 1459 A N 0.925 123.782 122.820 0.061 0.000 2.272 1459 A HA 0.428 4.748 4.320 -0.000 0.000 0.275 1459 A C 0.154 177.693 177.584 -0.074 0.000 1.096 1459 A CA -0.080 51.875 52.037 -0.136 0.000 0.822 1459 A CB -0.235 18.359 19.000 -0.677 0.000 1.088 1459 A HN 1.315 nan 8.150 nan 0.000 0.495 1460 Y N -1.011 119.259 120.300 -0.050 0.000 2.516 1460 Y HA -0.035 4.515 4.550 -0.000 0.000 0.291 1460 Y C 1.365 177.347 175.900 0.136 0.000 1.131 1460 Y CA 1.403 59.559 58.100 0.093 0.000 1.281 1460 Y CB -0.733 37.804 38.460 0.129 0.000 1.013 1460 Y HN 0.674 nan 8.280 nan 0.000 0.554 1461 Y N -0.461 119.521 120.300 -0.530 0.000 2.522 1461 Y HA 0.331 4.881 4.550 -0.000 0.000 0.277 1461 Y C 0.180 176.011 175.900 -0.115 0.000 1.104 1461 Y CA -0.706 57.154 58.100 -0.401 0.000 1.260 1461 Y CB -0.340 37.764 38.460 -0.594 0.000 1.151 1461 Y HN 0.092 nan 8.280 nan 0.000 0.539 1462 N N 1.410 119.838 118.700 -0.453 0.000 2.479 1462 N HA 0.261 5.001 4.740 -0.000 0.000 0.261 1462 N C -0.100 175.355 175.510 -0.093 0.000 0.979 1462 N CA -0.250 52.701 53.050 -0.165 0.000 0.930 1462 N CB 1.577 39.994 38.487 -0.115 0.000 1.172 1462 N HN 0.370 nan 8.380 nan 0.000 0.499 1463 L N 3.492 124.668 121.223 -0.079 0.000 2.221 1463 L HA 0.139 4.479 4.340 -0.000 0.000 0.202 1463 L C 1.616 178.383 176.870 -0.172 0.000 1.074 1463 L CA 0.847 55.565 54.840 -0.203 0.000 0.795 1463 L CB 0.022 41.942 42.059 -0.232 0.000 0.960 1463 L HN 0.532 nan 8.230 nan 0.000 0.458 1464 E N 0.917 121.067 120.200 -0.083 0.000 2.049 1464 E HA -0.215 4.135 4.350 -0.000 0.000 0.198 1464 E C 0.373 176.966 176.600 -0.012 0.000 1.007 1464 E CA 1.192 57.565 56.400 -0.046 0.000 0.809 1464 E CB -0.201 29.489 29.700 -0.016 0.000 0.749 1464 E HN 0.476 nan 8.360 nan 0.000 0.450 1465 E N 0.936 121.153 120.200 0.028 0.000 1.944 1465 E HA 0.195 4.545 4.350 -0.000 0.000 0.272 1465 E C -0.535 176.151 176.600 0.144 0.000 1.195 1465 E CA -0.226 56.229 56.400 0.091 0.000 0.926 1465 E CB 0.230 30.003 29.700 0.122 0.000 1.051 1465 E HN 0.149 nan 8.360 nan 0.000 0.404 1466 S N 1.391 117.149 115.700 0.098 0.000 2.688 1466 S HA 0.596 5.066 4.470 -0.000 0.000 0.275 1466 S C -1.099 173.531 174.600 0.050 0.000 1.175 1466 S CA -1.011 57.220 58.200 0.053 0.000 0.818 1466 S CB 2.033 65.214 63.200 -0.032 0.000 1.157 1466 S HN 0.451 nan 8.310 nan 0.000 0.482 1467 c N 1.425 120.013 118.600 -0.020 0.000 2.608 1467 c HA 0.831 5.401 4.570 -0.000 0.000 0.325 1467 c C -0.917 173.145 174.090 -0.047 0.000 1.147 1467 c CA 0.164 56.498 56.329 0.009 0.000 1.359 1467 c CB 0.546 43.103 42.510 0.079 0.000 1.912 1467 c HN 0.959 nan 8.230 nan 0.000 0.466 1468 T N 6.442 120.965 114.554 -0.052 0.000 2.812 1468 T HA 0.625 4.975 4.350 -0.000 0.000 0.282 1468 T C -0.606 173.976 174.700 -0.196 0.000 0.990 1468 T CA -0.557 61.451 62.100 -0.153 0.000 0.960 1468 T CB 0.902 69.653 68.868 -0.194 0.000 0.948 1468 T HN 0.669 nan 8.240 nan 0.000 0.438 1469 R N 1.818 122.172 120.500 -0.244 0.000 2.778 1469 R HA 0.664 5.003 4.340 -0.000 0.000 0.277 1469 R C -1.185 174.926 176.300 -0.315 0.000 0.977 1469 R CA -0.870 55.140 56.100 -0.150 0.000 0.950 1469 R CB 1.319 31.618 30.300 -0.002 0.000 1.165 1469 R HN 0.498 nan 8.270 nan 0.000 0.474 1470 F N 1.313 121.307 119.950 0.074 0.000 2.492 1470 F HA 0.457 4.984 4.527 -0.000 0.000 0.327 1470 F C -0.006 175.858 175.800 0.106 0.000 1.079 1470 F CA -0.909 57.117 58.000 0.044 0.000 0.967 1470 F CB 1.243 40.232 39.000 -0.018 0.000 1.169 1470 F HN 0.389 nan 8.300 nan 0.000 0.472 1471 Y N 0.086 120.495 120.300 0.181 0.000 2.462 1471 Y HA 0.707 5.257 4.550 -0.000 0.000 0.346 1471 Y C -1.324 174.648 175.900 0.120 0.000 0.976 1471 Y CA -1.014 57.143 58.100 0.095 0.000 1.044 1471 Y CB 1.413 39.868 38.460 -0.008 0.000 1.230 1471 Y HN 0.705 nan 8.280 nan 0.000 0.455 1472 H N 4.137 123.249 119.070 0.070 0.000 2.954 1472 H HA 0.298 4.853 4.556 -0.000 0.000 0.361 1472 H C -2.540 172.797 175.328 0.015 0.000 1.122 1472 H CA -2.139 53.899 56.048 -0.016 0.000 1.217 1472 H CB 3.180 32.917 29.762 -0.041 0.000 1.776 1472 H HN 0.491 nan 8.280 nan 0.000 0.533 1473 P HA -0.121 nan 4.420 nan 0.000 0.216 1473 P C 0.517 177.842 177.300 0.041 0.000 1.153 1473 P CA 1.547 64.550 63.100 -0.160 0.000 0.858 1473 P CB 0.685 32.224 31.700 -0.269 0.000 0.789 1474 E N -0.898 119.461 120.200 0.264 0.000 2.110 1474 E HA 0.080 4.430 4.350 -0.000 0.000 0.194 1474 E C 0.310 177.044 176.600 0.224 0.000 0.944 1474 E CA -0.080 56.471 56.400 0.251 0.000 0.899 1474 E CB -0.175 29.665 29.700 0.233 0.000 0.907 1474 E HN 0.139 nan 8.360 nan 0.000 0.473 1475 K N 2.639 123.156 120.400 0.195 0.000 2.491 1475 K HA -0.038 4.282 4.320 -0.000 0.000 0.279 1475 K C 0.058 176.677 176.600 0.032 0.000 1.026 1475 K CA 0.201 56.443 56.287 -0.076 0.000 1.070 1475 K CB 0.359 32.592 32.500 -0.445 0.000 0.887 1475 K HN 0.157 nan 8.250 nan 0.000 0.481 1476 E N 2.938 123.147 120.200 0.014 0.000 2.413 1476 E HA -0.108 4.242 4.350 -0.000 0.000 0.263 1476 E C -0.299 176.329 176.600 0.047 0.000 1.015 1476 E CA 0.147 56.569 56.400 0.037 0.000 0.916 1476 E CB 0.345 30.057 29.700 0.021 0.000 0.947 1476 E HN 0.660 nan 8.360 nan 0.000 0.440 1477 D N 2.386 122.833 120.400 0.078 0.000 2.782 1477 D HA -0.253 4.387 4.640 -0.000 0.000 0.231 1477 D C 0.674 177.057 176.300 0.139 0.000 1.163 1477 D CA 1.126 55.192 54.000 0.109 0.000 0.680 1477 D CB -1.876 38.979 40.800 0.092 0.000 1.062 1477 D HN 0.887 nan 8.370 nan 0.000 0.425 1478 G N -1.551 107.326 108.800 0.128 0.000 2.233 1478 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.270 1478 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.270 1478 G C 0.341 175.210 174.900 -0.052 0.000 1.011 1478 G CA 0.680 45.848 45.100 0.113 0.000 0.762 1478 G HN 0.688 nan 8.290 nan 0.000 0.511 1479 K N -0.553 119.795 120.400 -0.086 0.000 2.118 1479 K HA 0.717 5.037 4.320 -0.000 0.000 0.264 1479 K C 0.908 177.389 176.600 -0.198 0.000 1.000 1479 K CA -0.552 55.634 56.287 -0.169 0.000 0.929 1479 K CB 0.652 33.096 32.500 -0.093 0.000 1.021 1479 K HN 0.216 nan 8.250 nan 0.000 0.463 1480 L N 2.772 123.871 121.223 -0.205 0.000 2.334 1480 L HA 0.318 4.658 4.340 -0.000 0.000 0.277 1480 L C -0.104 176.691 176.870 -0.124 0.000 1.075 1480 L CA -0.987 53.746 54.840 -0.177 0.000 0.804 1480 L CB 0.873 42.833 42.059 -0.165 0.000 1.174 1480 L HN 0.525 nan 8.230 nan 0.000 0.438 1481 N N 3.746 122.378 118.700 -0.113 0.000 2.434 1481 N HA 0.096 4.835 4.740 -0.000 0.000 0.268 1481 N C -0.731 174.739 175.510 -0.067 0.000 1.256 1481 N CA 0.272 53.273 53.050 -0.081 0.000 0.914 1481 N CB 0.187 38.630 38.487 -0.073 0.000 1.088 1481 N HN 0.475 nan 8.380 nan 0.000 0.478 1482 K N 0.297 120.662 120.400 -0.059 0.000 2.581 1482 K HA 0.308 4.628 4.320 -0.000 0.000 0.249 1482 K C -1.231 175.330 176.600 -0.064 0.000 0.966 1482 K CA -0.975 55.278 56.287 -0.057 0.000 0.811 1482 K CB 1.189 33.666 32.500 -0.038 0.000 1.223 1482 K HN 0.125 nan 8.250 nan 0.000 0.438 1483 L N 3.382 124.524 121.223 -0.134 0.000 2.530 1483 L HA 0.185 4.525 4.340 -0.000 0.000 0.273 1483 L C -1.148 175.650 176.870 -0.121 0.000 1.141 1483 L CA 0.345 55.051 54.840 -0.222 0.000 0.905 1483 L CB -0.074 41.664 42.059 -0.536 0.000 1.202 1483 L HN 0.816 nan 8.230 nan 0.000 0.473 1484 c N 5.657 124.283 118.600 0.043 0.000 2.411 1484 c HA 0.755 5.325 4.570 -0.000 0.000 0.330 1484 c C 0.117 174.391 174.090 0.307 0.000 1.224 1484 c CA -0.836 55.603 56.329 0.184 0.000 1.770 1484 c CB 1.311 43.893 42.510 0.120 0.000 2.297 1484 c HN 0.899 nan 8.230 nan 0.000 0.507 1485 R N 2.375 123.099 120.500 0.372 0.000 2.518 1485 R HA 0.371 4.711 4.340 -0.000 0.000 0.287 1485 R C -0.507 175.860 176.300 0.111 0.000 1.135 1485 R CA -0.148 56.120 56.100 0.280 0.000 0.967 1485 R CB 0.620 31.155 30.300 0.392 0.000 1.212 1485 R HN 0.954 nan 8.270 nan 0.000 0.422 1486 D N 2.528 122.976 120.400 0.080 0.000 4.508 1486 D HA -0.271 4.369 4.640 -0.000 0.000 0.178 1486 D C -0.262 176.060 176.300 0.037 0.000 0.644 1486 D CA 2.102 56.123 54.000 0.035 0.000 1.244 1486 D CB -0.282 40.508 40.800 -0.016 0.000 0.727 1486 D HN 0.799 nan 8.370 nan 0.000 0.495 1487 E N -0.232 119.976 120.200 0.014 0.000 3.521 1487 E HA 0.376 4.726 4.350 -0.000 0.000 0.183 1487 E C -0.836 175.769 176.600 0.010 0.000 0.981 1487 E CA -0.214 56.194 56.400 0.014 0.000 1.349 1487 E CB 1.005 30.703 29.700 -0.005 0.000 1.102 1487 E HN 0.138 nan 8.360 nan 0.000 0.449 1488 L N 0.968 122.217 121.223 0.043 0.000 2.446 1488 L HA 0.448 4.787 4.340 -0.000 0.000 0.268 1488 L C -1.479 175.544 176.870 0.256 0.000 0.975 1488 L CA -0.519 54.361 54.840 0.067 0.000 0.848 1488 L CB 1.003 43.020 42.059 -0.071 0.000 1.225 1488 L HN 0.051 nan 8.230 nan 0.000 0.410 1489 c N 4.508 123.224 118.600 0.193 0.000 2.417 1489 c HA 0.812 5.382 4.570 -0.000 0.000 0.324 1489 c C -0.211 173.966 174.090 0.145 0.000 1.240 1489 c CA -0.799 55.645 56.329 0.191 0.000 1.632 1489 c CB 1.560 44.123 42.510 0.088 0.000 2.241 1489 c HN 0.870 nan 8.230 nan 0.000 0.499 1490 R N 1.633 122.195 120.500 0.103 0.000 2.494 1490 R HA 0.612 4.952 4.340 -0.000 0.000 0.305 1490 R C -0.537 175.761 176.300 -0.003 0.000 0.959 1490 R CA -0.315 55.822 56.100 0.061 0.000 0.864 1490 R CB 0.663 31.019 30.300 0.093 0.000 1.159 1490 R HN 0.717 nan 8.270 nan 0.000 0.446 1491 c N 3.120 121.729 118.600 0.014 0.000 2.592 1491 c HA 0.281 4.851 4.570 -0.000 0.000 0.408 1491 c C 1.250 175.335 174.090 -0.008 0.000 1.436 1491 c CA 0.457 56.788 56.329 0.003 0.000 1.595 1491 c CB -0.958 41.569 42.510 0.028 0.000 2.487 1491 c HN 0.907 nan 8.230 nan 0.000 0.610 1492 A N 5.155 127.956 122.820 -0.032 0.000 2.574 1492 A HA 0.289 4.609 4.320 -0.000 0.000 0.283 1492 A C 0.830 178.394 177.584 -0.033 0.000 1.270 1492 A CA 0.029 52.043 52.037 -0.039 0.000 0.945 1492 A CB -0.154 18.808 19.000 -0.063 0.000 1.127 1492 A HN 0.881 nan 8.150 nan 0.000 0.522 1493 E N 2.046 122.232 120.200 -0.023 0.000 2.346 1493 E HA 0.107 4.457 4.350 -0.000 0.000 0.317 1493 E C 0.088 176.684 176.600 -0.008 0.000 1.404 1493 E CA 0.229 56.614 56.400 -0.025 0.000 1.534 1493 E CB -0.367 29.316 29.700 -0.029 0.000 1.309 1493 E HN 0.900 nan 8.360 nan 0.000 0.499 1494 E N -0.635 119.554 120.200 -0.017 0.000 2.433 1494 E HA 0.360 4.710 4.350 -0.000 0.000 0.264 1494 E C -0.422 176.150 176.600 -0.047 0.000 0.960 1494 E CA -1.002 55.387 56.400 -0.019 0.000 0.866 1494 E CB 0.486 30.182 29.700 -0.007 0.000 1.615 1494 E HN -0.192 nan 8.360 nan 0.000 0.442 1495 N N -0.373 118.287 118.700 -0.066 0.000 2.371 1495 N HA 0.077 4.817 4.740 -0.000 0.000 0.243 1495 N C 0.673 176.096 175.510 -0.145 0.000 1.287 1495 N CA -0.257 52.716 53.050 -0.128 0.000 0.911 1495 N CB 0.339 38.732 38.487 -0.157 0.000 1.142 1495 N HN 0.529 nan 8.380 nan 0.000 0.451 1496 c N -0.210 118.237 118.600 -0.254 0.000 2.473 1496 c HA 0.022 4.592 4.570 -0.000 0.000 0.279 1496 c C 1.049 175.089 174.090 -0.083 0.000 1.250 1496 c CA 0.707 56.916 56.329 -0.199 0.000 1.713 1496 c CB -1.220 41.112 42.510 -0.296 0.000 2.066 1496 c HN 0.780 nan 8.230 nan 0.000 0.474 1497 F N -2.608 117.281 119.950 -0.103 0.000 3.084 1497 F HA 0.619 5.145 4.527 -0.000 0.000 0.336 1497 F C 0.807 176.543 175.800 -0.107 0.000 1.230 1497 F CA -1.155 56.773 58.000 -0.121 0.000 0.993 1497 F CB -0.406 38.474 39.000 -0.200 0.000 1.496 1497 F HN -0.176 nan 8.300 nan 0.000 0.522 1498 I N 0.261 120.957 120.570 0.210 0.000 2.040 1498 I HA -0.151 4.018 4.170 -0.000 0.000 0.224 1498 I C 1.030 177.164 176.117 0.028 0.000 1.038 1498 I CA 2.055 63.419 61.300 0.106 0.000 1.330 1498 I CB -0.420 37.670 38.000 0.149 0.000 1.076 1498 I HN 0.787 nan 8.210 nan 0.000 0.388 1499 Q N -0.205 119.619 119.800 0.041 0.000 2.922 1499 Q HA 0.478 4.818 4.340 -0.000 0.000 0.392 1499 Q C -1.018 174.987 176.000 0.008 0.000 0.689 1499 Q CA -0.960 54.834 55.803 -0.015 0.000 0.905 1499 Q CB 1.448 30.193 28.738 0.012 0.000 1.222 1499 Q HN 0.070 nan 8.270 nan 0.000 0.432 1504 K N 0.472 120.896 120.400 0.041 0.000 2.502 1504 K HA 0.187 4.507 4.320 -0.000 0.000 0.211 1504 K C 0.129 176.762 176.600 0.055 0.000 1.259 1504 K CA 0.406 56.715 56.287 0.036 0.000 0.983 1504 K CB 2.410 34.925 32.500 0.025 0.000 1.054 1504 K HN -0.035 nan 8.250 nan 0.000 0.572 1505 V N 2.142 122.107 119.914 0.085 0.000 5.887 1505 V HA -0.255 3.865 4.120 -0.000 0.000 0.167 1505 V C 0.326 176.464 176.094 0.073 0.000 0.718 1505 V CA 0.751 63.124 62.300 0.121 0.000 0.553 1505 V CB -2.946 29.020 31.823 0.237 0.000 0.464 1505 V HN 0.455 nan 8.190 nan 0.000 0.392 1506 T N 0.950 115.532 114.554 0.047 0.000 2.652 1506 T HA 0.434 4.783 4.350 -0.000 0.000 0.319 1506 T C 1.201 175.911 174.700 0.018 0.000 1.029 1506 T CA 0.358 62.473 62.100 0.025 0.000 0.990 1506 T CB 1.319 70.199 68.868 0.020 0.000 1.098 1506 T HN 0.684 nan 8.240 nan 0.000 0.520 1507 L N 0.233 121.467 121.223 0.018 0.000 1.994 1507 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 1507 L C 2.865 179.765 176.870 0.051 0.000 1.071 1507 L CA 1.790 56.654 54.840 0.039 0.000 0.745 1507 L CB -0.557 41.529 42.059 0.046 0.000 0.892 1507 L HN 0.729 nan 8.230 nan 0.000 0.431 1508 E N -0.074 120.143 120.200 0.028 0.000 2.160 1508 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 1508 E C 2.062 178.668 176.600 0.010 0.000 0.991 1508 E CA 1.002 57.411 56.400 0.015 0.000 0.810 1508 E CB -0.130 29.570 29.700 0.001 0.000 0.742 1508 E HN 0.450 nan 8.360 nan 0.000 0.466 1509 E N 0.484 120.691 120.200 0.012 0.000 2.085 1509 E HA -0.165 4.184 4.350 -0.000 0.000 0.194 1509 E C 2.062 178.638 176.600 -0.040 0.000 0.994 1509 E CA 1.039 57.446 56.400 0.012 0.000 0.801 1509 E CB -0.187 29.543 29.700 0.050 0.000 0.743 1509 E HN 0.316 nan 8.360 nan 0.000 0.453 1510 R N 0.295 120.743 120.500 -0.087 0.000 2.115 1510 R HA 0.033 4.373 4.340 -0.000 0.000 0.226 1510 R C 2.686 178.943 176.300 -0.072 0.000 1.100 1510 R CA 0.513 56.463 56.100 -0.251 0.000 0.980 1510 R CB -0.297 29.678 30.300 -0.541 0.000 0.875 1510 R HN 0.141 nan 8.270 nan 0.000 0.445 1511 L N 0.830 122.116 121.223 0.105 0.000 1.989 1511 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 1511 L C 1.683 178.501 176.870 -0.088 0.000 1.071 1511 L CA 1.358 56.233 54.840 0.058 0.000 0.749 1511 L CB -0.505 41.559 42.059 0.009 0.000 0.890 1511 L HN 0.137 nan 8.230 nan 0.000 0.431 1512 D N 0.035 120.388 120.400 -0.079 0.000 2.117 1512 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 1512 D C 2.134 178.359 176.300 -0.124 0.000 0.982 1512 D CA 1.101 55.049 54.000 -0.086 0.000 0.828 1512 D CB -0.089 40.685 40.800 -0.043 0.000 0.967 1512 D HN 0.239 nan 8.370 nan 0.000 0.464 1513 K N 0.205 120.517 120.400 -0.146 0.000 2.439 1513 K HA 0.110 4.430 4.320 -0.000 0.000 0.197 1513 K C 1.625 177.958 176.600 -0.446 0.000 1.041 1513 K CA 0.660 56.865 56.287 -0.138 0.000 0.970 1513 K CB 0.262 32.770 32.500 0.013 0.000 0.773 1513 K HN 0.028 nan 8.250 nan 0.000 0.479 1514 A N -0.206 122.202 122.820 -0.687 0.000 2.169 1514 A HA 0.015 4.335 4.320 -0.000 0.000 0.210 1514 A C 1.548 178.820 177.584 -0.520 0.000 1.168 1514 A CA 0.211 51.633 52.037 -1.025 0.000 0.813 1514 A CB 0.100 18.532 19.000 -0.947 0.000 0.861 1514 A HN 0.302 nan 8.150 nan 0.000 0.481 1515 c N 1.321 119.731 118.600 -0.317 0.000 2.688 1515 c HA 0.257 4.827 4.570 -0.000 0.000 0.297 1515 c C 0.575 174.585 174.090 -0.134 0.000 1.308 1515 c CA -0.825 55.385 56.329 -0.199 0.000 1.726 1515 c CB -1.706 40.712 42.510 -0.154 0.000 1.982 1515 c HN 0.508 nan 8.230 nan 0.000 0.604 1516 E N 2.109 122.228 120.200 -0.135 0.000 2.398 1516 E HA 0.041 4.390 4.350 -0.000 0.000 0.263 1516 E C -1.496 175.080 176.600 -0.039 0.000 1.046 1516 E CA -0.923 55.439 56.400 -0.062 0.000 0.908 1516 E CB 0.593 30.276 29.700 -0.028 0.000 0.963 1516 E HN 0.141 nan 8.360 nan 0.000 0.431 1517 P HA -0.173 nan 4.420 nan 0.000 0.218 1517 P C 1.160 178.475 177.300 0.026 0.000 1.146 1517 P CA 1.258 64.361 63.100 0.006 0.000 0.813 1517 P CB 0.158 31.867 31.700 0.014 0.000 0.778 1518 G N -0.540 108.283 108.800 0.037 0.000 2.394 1518 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.215 1518 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.215 1518 G C 0.368 175.313 174.900 0.075 0.000 1.165 1518 G CA 0.037 45.179 45.100 0.069 0.000 0.784 1518 G HN 0.151 nan 8.290 nan 0.000 0.535 1519 V N 1.952 121.884 119.914 0.030 0.000 2.509 1519 V HA 0.050 4.169 4.120 -0.000 0.000 0.297 1519 V C 1.131 177.224 176.094 -0.001 0.000 1.014 1519 V CA 0.838 63.129 62.300 -0.014 0.000 1.127 1519 V CB 1.196 32.914 31.823 -0.176 0.000 0.925 1519 V HN 0.366 nan 8.190 nan 0.000 0.480 1520 D N 3.614 124.049 120.400 0.058 0.000 2.725 1520 D HA 0.055 4.695 4.640 -0.000 0.000 0.269 1520 D C 0.274 176.680 176.300 0.177 0.000 1.018 1520 D CA 0.519 54.625 54.000 0.176 0.000 0.956 1520 D CB 0.379 41.411 40.800 0.387 0.000 1.141 1520 D HN 0.586 nan 8.370 nan 0.000 0.478 1521 Y N -0.545 119.823 120.300 0.112 0.000 2.393 1521 Y HA 0.686 5.236 4.550 -0.000 0.000 0.341 1521 Y C -1.136 174.632 175.900 -0.221 0.000 0.988 1521 Y CA -1.437 56.590 58.100 -0.123 0.000 1.078 1521 Y CB 1.729 40.197 38.460 0.013 0.000 1.203 1521 Y HN -0.276 nan 8.280 nan 0.000 0.453 1522 V N 5.411 125.088 119.914 -0.396 0.000 2.398 1522 V HA 0.336 4.456 4.120 -0.000 0.000 0.282 1522 V C -1.335 174.664 176.094 -0.159 0.000 1.014 1522 V CA -0.792 61.426 62.300 -0.137 0.000 0.838 1522 V CB -0.195 31.614 31.823 -0.022 0.000 1.018 1522 V HN 0.752 nan 8.190 nan 0.000 0.432 1523 Y N 1.762 122.260 120.300 0.329 0.000 2.549 1523 Y HA 0.580 5.130 4.550 -0.000 0.000 0.339 1523 Y C 0.308 176.312 175.900 0.173 0.000 1.053 1523 Y CA -1.580 56.652 58.100 0.219 0.000 1.105 1523 Y CB 1.855 40.428 38.460 0.187 0.000 1.258 1523 Y HN 0.415 nan 8.280 nan 0.000 0.478 1524 K N 2.306 122.850 120.400 0.240 0.000 2.419 1524 K HA 0.350 4.669 4.320 -0.000 0.000 0.244 1524 K C -0.825 175.796 176.600 0.035 0.000 1.045 1524 K CA -0.284 56.031 56.287 0.046 0.000 1.004 1524 K CB 0.173 32.518 32.500 -0.260 0.000 1.376 1524 K HN 0.898 nan 8.250 nan 0.000 0.460 1525 T N 0.359 114.962 114.554 0.082 0.000 2.912 1525 T HA 0.420 4.770 4.350 -0.000 0.000 0.280 1525 T C -0.189 174.534 174.700 0.037 0.000 0.989 1525 T CA -0.965 61.162 62.100 0.045 0.000 0.995 1525 T CB 1.603 70.473 68.868 0.002 0.000 1.077 1525 T HN 0.519 nan 8.240 nan 0.000 0.531 1526 R N 0.976 121.467 120.500 -0.014 0.000 2.451 1526 R HA 0.416 4.756 4.340 -0.000 0.000 0.307 1526 R C -1.142 175.139 176.300 -0.032 0.000 0.965 1526 R CA -0.974 55.057 56.100 -0.115 0.000 0.865 1526 R CB 1.087 31.224 30.300 -0.272 0.000 1.174 1526 R HN 0.623 nan 8.270 nan 0.000 0.455 1527 L N 6.415 127.670 121.223 0.054 0.000 2.678 1527 L HA 0.016 4.356 4.340 -0.000 0.000 0.276 1527 L C 0.241 177.130 176.870 0.032 0.000 1.142 1527 L CA 0.688 55.576 54.840 0.079 0.000 0.961 1527 L CB 0.787 42.952 42.059 0.176 0.000 1.291 1527 L HN 0.600 nan 8.230 nan 0.000 0.476 1528 V N 4.003 123.933 119.914 0.026 0.000 2.283 1528 V HA 0.063 4.182 4.120 -0.000 0.000 0.239 1528 V C 1.000 177.104 176.094 0.016 0.000 1.035 1528 V CA 0.986 63.294 62.300 0.012 0.000 1.018 1528 V CB -0.419 31.414 31.823 0.017 0.000 0.658 1528 V HN 0.791 nan 8.190 nan 0.000 0.459 1529 K N -0.211 120.202 120.400 0.023 0.000 2.426 1529 K HA 0.598 4.918 4.320 -0.000 0.000 0.251 1529 K C -1.877 174.708 176.600 -0.024 0.000 0.941 1529 K CA -0.484 55.804 56.287 0.002 0.000 0.808 1529 K CB 2.545 35.047 32.500 0.003 0.000 1.265 1529 K HN 0.016 nan 8.250 nan 0.000 0.432 1530 V N 4.303 124.175 119.914 -0.070 0.000 2.326 1530 V HA 0.277 4.397 4.120 -0.000 0.000 0.281 1530 V C -0.866 175.121 176.094 -0.179 0.000 1.015 1530 V CA -0.706 61.485 62.300 -0.182 0.000 0.823 1530 V CB 1.194 32.901 31.823 -0.193 0.000 1.009 1530 V HN 0.747 nan 8.190 nan 0.000 0.436 1531 Q N 4.591 124.278 119.800 -0.188 0.000 2.307 1531 Q HA 0.597 4.936 4.340 -0.000 0.000 0.262 1531 Q C -1.299 174.590 176.000 -0.185 0.000 0.961 1531 Q CA -0.815 54.902 55.803 -0.142 0.000 0.882 1531 Q CB 2.490 31.181 28.738 -0.077 0.000 1.264 1531 Q HN 0.542 nan 8.270 nan 0.000 0.446 1532 L N 2.498 123.623 121.223 -0.164 0.000 2.426 1532 L HA 0.215 4.555 4.340 -0.000 0.000 0.255 1532 L C -0.220 176.544 176.870 -0.176 0.000 1.080 1532 L CA -0.102 54.638 54.840 -0.166 0.000 0.960 1532 L CB 0.827 42.809 42.059 -0.129 0.000 1.326 1532 L HN 0.484 nan 8.230 nan 0.000 0.441 1533 S N 0.701 116.244 115.700 -0.262 0.000 2.464 1533 S HA 0.497 4.967 4.470 -0.000 0.000 0.313 1533 S C 0.756 175.145 174.600 -0.352 0.000 1.078 1533 S CA -0.721 57.297 58.200 -0.302 0.000 1.096 1533 S CB 0.451 63.432 63.200 -0.365 0.000 1.032 1533 S HN 0.573 nan 8.310 nan 0.000 0.498 1534 N N 3.006 121.584 118.700 -0.204 0.000 1.613 1534 N HA -0.317 4.423 4.740 -0.000 0.000 0.146 1534 N C 0.734 176.156 175.510 -0.147 0.000 0.527 1534 N CA 2.476 55.437 53.050 -0.148 0.000 1.174 1534 N CB -1.616 36.799 38.487 -0.120 0.000 1.340 1534 N HN 0.767 nan 8.380 nan 0.000 0.437 1535 D N 2.212 122.529 120.400 -0.137 0.000 2.096 1535 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 1535 D C 1.064 177.354 176.300 -0.016 0.000 0.980 1535 D CA 1.593 55.577 54.000 -0.026 0.000 0.860 1535 D CB -1.202 39.666 40.800 0.114 0.000 1.005 1535 D HN 0.601 nan 8.370 nan 0.000 0.449 1536 F N 0.545 120.496 119.950 0.001 0.000 2.396 1536 F HA 0.502 5.028 4.527 -0.000 0.000 0.343 1536 F C -0.360 175.442 175.800 0.002 0.000 1.104 1536 F CA -1.463 56.530 58.000 -0.012 0.000 1.161 1536 F CB 0.401 39.395 39.000 -0.011 0.000 1.146 1536 F HN -0.285 nan 8.300 nan 0.000 0.522 1537 D N 2.724 123.198 120.400 0.123 0.000 2.256 1537 D HA 0.254 4.893 4.640 -0.000 0.000 0.250 1537 D C -0.548 175.852 176.300 0.166 0.000 1.093 1537 D CA -0.284 53.747 54.000 0.051 0.000 0.882 1537 D CB 1.243 42.094 40.800 0.086 0.000 1.185 1537 D HN 0.658 nan 8.370 nan 0.000 0.437 1538 E N 1.036 121.239 120.200 0.005 0.000 2.183 1538 E HA 0.349 4.699 4.350 -0.000 0.000 0.271 1538 E C -0.883 175.647 176.600 -0.117 0.000 0.919 1538 E CA -0.783 55.677 56.400 0.100 0.000 0.781 1538 E CB 1.587 31.359 29.700 0.120 0.000 1.140 1538 E HN 0.339 nan 8.360 nan 0.000 0.402 1539 Y N 1.945 122.339 120.300 0.157 0.000 2.526 1539 Y HA 0.315 4.864 4.550 -0.000 0.000 0.328 1539 Y C -0.162 175.834 175.900 0.160 0.000 0.995 1539 Y CA -0.625 57.541 58.100 0.110 0.000 1.304 1539 Y CB 0.663 39.156 38.460 0.055 0.000 1.096 1539 Y HN 0.405 nan 8.280 nan 0.000 0.499 1540 I N 5.296 125.983 120.570 0.194 0.000 2.483 1540 I HA 0.089 4.259 4.170 -0.000 0.000 0.291 1540 I C -0.284 175.919 176.117 0.145 0.000 1.112 1540 I CA 0.347 61.751 61.300 0.174 0.000 1.350 1540 I CB 0.026 38.086 38.000 0.100 0.000 1.419 1540 I HN 0.426 nan 8.210 nan 0.000 0.523 1541 M N 5.270 124.980 119.600 0.183 0.000 2.537 1541 M HA 0.578 5.058 4.480 -0.000 0.000 0.324 1541 M C -0.131 176.215 176.300 0.076 0.000 1.187 1541 M CA -0.686 54.664 55.300 0.083 0.000 0.993 1541 M CB 1.763 34.339 32.600 -0.041 0.000 1.666 1541 M HN 0.511 nan 8.290 nan 0.000 0.461 1542 A N 3.322 126.158 122.820 0.026 0.000 2.291 1542 A HA 0.669 4.989 4.320 -0.000 0.000 0.311 1542 A C -0.232 177.350 177.584 -0.005 0.000 1.224 1542 A CA -0.656 51.387 52.037 0.009 0.000 0.821 1542 A CB 0.182 19.182 19.000 0.001 0.000 1.172 1542 A HN 0.863 nan 8.150 nan 0.000 0.494 1543 I N 3.437 123.987 120.570 -0.033 0.000 2.574 1543 I HA -0.012 4.158 4.170 -0.000 0.000 0.291 1543 I C 0.971 177.081 176.117 -0.011 0.000 1.131 1543 I CA -0.087 61.185 61.300 -0.046 0.000 1.352 1543 I CB 0.357 38.254 38.000 -0.172 0.000 1.431 1543 I HN 0.744 nan 8.210 nan 0.000 0.543 1544 E N 5.731 125.933 120.200 0.004 0.000 2.150 1544 E HA -0.142 4.207 4.350 -0.000 0.000 0.193 1544 E C 0.342 176.933 176.600 -0.015 0.000 0.985 1544 E CA 0.944 57.336 56.400 -0.012 0.000 0.814 1544 E CB 0.080 29.752 29.700 -0.047 0.000 0.752 1544 E HN 0.803 nan 8.360 nan 0.000 0.466 1545 Q N -1.013 118.796 119.800 0.016 0.000 2.545 1545 Q HA 0.266 4.606 4.340 -0.000 0.000 0.273 1545 Q C -1.102 174.995 176.000 0.162 0.000 0.975 1545 Q CA -0.602 55.232 55.803 0.051 0.000 0.876 1545 Q CB 0.851 29.591 28.738 0.004 0.000 1.472 1545 Q HN -0.087 nan 8.270 nan 0.000 0.389 1546 T N 0.321 114.991 114.554 0.194 0.000 3.005 1546 T HA 0.396 4.746 4.350 -0.000 0.000 0.323 1546 T C 1.006 175.813 174.700 0.179 0.000 1.131 1546 T CA -0.581 61.717 62.100 0.331 0.000 0.977 1546 T CB -0.272 68.802 68.868 0.343 0.000 1.055 1546 T HN 0.639 nan 8.240 nan 0.000 0.562 1547 I N 1.076 121.733 120.570 0.144 0.000 2.179 1547 I HA -0.033 4.137 4.170 -0.000 0.000 0.242 1547 I C 1.483 177.601 176.117 0.002 0.000 1.088 1547 I CA 1.192 62.527 61.300 0.058 0.000 1.357 1547 I CB 0.014 38.064 38.000 0.084 0.000 1.051 1547 I HN 0.513 nan 8.210 nan 0.000 0.409 1548 K N 1.139 121.527 120.400 -0.021 0.000 2.535 1548 K HA 0.276 4.596 4.320 -0.000 0.000 0.253 1548 K C -0.797 175.811 176.600 0.014 0.000 0.953 1548 K CA -0.341 55.925 56.287 -0.034 0.000 0.863 1548 K CB 1.397 33.845 32.500 -0.087 0.000 1.111 1548 K HN -0.137 nan 8.250 nan 0.000 0.431 1549 S N 2.697 118.449 115.700 0.086 0.000 2.465 1549 S HA 0.097 4.567 4.470 -0.000 0.000 0.307 1549 S C 0.617 175.316 174.600 0.166 0.000 1.187 1549 S CA -0.283 58.017 58.200 0.167 0.000 1.141 1549 S CB 0.632 63.911 63.200 0.133 0.000 1.108 1549 S HN 0.769 nan 8.310 nan 0.000 0.525 1550 G N 2.262 111.217 108.800 0.259 0.000 2.485 1550 G HA2 0.184 4.144 3.960 -0.000 0.000 0.260 1550 G HA3 0.184 4.144 3.960 -0.000 0.000 0.260 1550 G C 1.086 176.133 174.900 0.244 0.000 1.459 1550 G CA -0.047 45.232 45.100 0.297 0.000 1.060 1550 G HN 0.696 nan 8.290 nan 0.000 0.546 1551 S N -1.380 114.459 115.700 0.232 0.000 2.561 1551 S HA 0.013 4.483 4.470 -0.000 0.000 0.225 1551 S C 0.468 175.084 174.600 0.028 0.000 0.977 1551 S CA 0.700 58.938 58.200 0.062 0.000 0.926 1551 S CB 0.103 63.258 63.200 -0.074 0.000 0.769 1551 S HN 0.439 nan 8.310 nan 0.000 0.533 1552 D N 2.650 123.162 120.400 0.187 0.000 2.396 1552 D HA 0.162 4.801 4.640 -0.000 0.000 0.225 1552 D C -0.528 175.882 176.300 0.184 0.000 1.121 1552 D CA -0.332 53.774 54.000 0.177 0.000 0.853 1552 D CB 0.645 41.669 40.800 0.373 0.000 1.043 1552 D HN 0.044 nan 8.370 nan 0.000 0.500 1553 E N 2.844 123.100 120.200 0.094 0.000 1.833 1553 E HA 0.087 4.437 4.350 -0.000 0.000 0.258 1553 E C -0.495 176.151 176.600 0.076 0.000 1.257 1553 E CA -0.030 56.419 56.400 0.082 0.000 1.003 1553 E CB 0.657 30.382 29.700 0.042 0.000 1.068 1553 E HN 0.173 nan 8.360 nan 0.000 0.422 1554 V N 3.442 123.415 119.914 0.098 0.000 2.483 1554 V HA 0.207 4.327 4.120 -0.000 0.000 0.297 1554 V C -0.832 175.284 176.094 0.036 0.000 1.027 1554 V CA -0.774 61.554 62.300 0.047 0.000 0.855 1554 V CB 1.937 33.761 31.823 0.002 0.000 0.995 1554 V HN 0.374 nan 8.190 nan 0.000 0.424 1555 Q N 3.796 123.609 119.800 0.022 0.000 2.260 1555 Q HA 0.539 4.879 4.340 -0.000 0.000 0.242 1555 Q C -0.312 175.690 176.000 0.004 0.000 0.932 1555 Q CA -0.301 55.516 55.803 0.022 0.000 0.891 1555 Q CB 1.773 30.523 28.738 0.020 0.000 1.222 1555 Q HN 0.682 nan 8.270 nan 0.000 0.453 1556 V N 2.054 121.976 119.914 0.012 0.000 2.644 1556 V HA 0.237 4.357 4.120 -0.000 0.000 0.305 1556 V C 1.390 177.483 176.094 -0.002 0.000 1.053 1556 V CA 1.974 64.276 62.300 0.002 0.000 1.186 1556 V CB 0.026 31.857 31.823 0.013 0.000 0.895 1556 V HN 1.036 nan 8.190 nan 0.000 0.490 1557 G N 3.254 112.049 108.800 -0.008 0.000 2.307 1557 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.210 1557 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.210 1557 G C 0.162 175.060 174.900 -0.003 0.000 1.005 1557 G CA -0.023 45.076 45.100 -0.002 0.000 0.634 1557 G HN 0.626 nan 8.290 nan 0.000 0.496 1558 Q N 0.518 120.312 119.800 -0.009 0.000 2.368 1558 Q HA 0.564 4.904 4.340 -0.000 0.000 0.237 1558 Q C -0.057 175.941 176.000 -0.003 0.000 0.987 1558 Q CA 0.196 55.996 55.803 -0.004 0.000 0.896 1558 Q CB 0.567 29.301 28.738 -0.006 0.000 1.241 1558 Q HN 0.525 nan 8.270 nan 0.000 0.485 1559 Q N 1.182 120.993 119.800 0.018 0.000 2.316 1559 Q HA 0.447 4.787 4.340 -0.000 0.000 0.264 1559 Q C -0.803 175.237 176.000 0.067 0.000 0.987 1559 Q CA -0.781 55.047 55.803 0.043 0.000 0.852 1559 Q CB 1.695 30.464 28.738 0.051 0.000 1.287 1559 Q HN 0.180 nan 8.270 nan 0.000 0.448 1560 R N 1.090 121.655 120.500 0.108 0.000 2.589 1560 R HA 0.483 4.823 4.340 -0.000 0.000 0.293 1560 R C -0.732 175.702 176.300 0.224 0.000 0.963 1560 R CA -0.589 55.594 56.100 0.139 0.000 0.905 1560 R CB 1.890 32.251 30.300 0.101 0.000 1.144 1560 R HN 0.524 nan 8.270 nan 0.000 0.459 1561 T N 3.759 118.407 114.554 0.156 0.000 2.733 1561 T HA 0.426 4.776 4.350 -0.000 0.000 0.294 1561 T C -0.207 174.599 174.700 0.177 0.000 0.956 1561 T CA -0.196 62.035 62.100 0.218 0.000 0.987 1561 T CB 0.064 69.033 68.868 0.168 0.000 0.920 1561 T HN 0.153 nan 8.240 nan 0.000 0.470 1562 F N 2.561 122.631 119.950 0.201 0.000 2.378 1562 F HA 0.641 5.168 4.527 -0.000 0.000 0.325 1562 F C 0.560 176.508 175.800 0.247 0.000 1.097 1562 F CA -1.342 56.775 58.000 0.196 0.000 1.079 1562 F CB 0.888 39.959 39.000 0.118 0.000 1.240 1562 F HN 0.323 nan 8.300 nan 0.000 0.519 1563 I N 1.218 121.986 120.570 0.330 0.000 2.533 1563 I HA 0.419 4.589 4.170 -0.000 0.000 0.290 1563 I C -0.759 175.467 176.117 0.180 0.000 1.056 1563 I CA -0.487 60.971 61.300 0.264 0.000 1.057 1563 I CB 2.169 40.226 38.000 0.096 0.000 1.240 1563 I HN 0.463 nan 8.210 nan 0.000 0.423 1564 S N 6.239 122.070 115.700 0.219 0.000 2.536 1564 S HA 0.634 5.103 4.470 -0.000 0.000 0.271 1564 S C -2.776 171.895 174.600 0.119 0.000 1.134 1564 S CA -1.200 57.069 58.200 0.115 0.000 0.897 1564 S CB 2.064 65.274 63.200 0.016 0.000 1.094 1564 S HN 0.209 nan 8.310 nan 0.000 0.473 1565 P HA 0.192 nan 4.420 nan 0.000 0.270 1565 P C 0.568 177.898 177.300 0.051 0.000 1.227 1565 P CA -0.216 62.903 63.100 0.031 0.000 0.788 1565 P CB 0.298 31.996 31.700 -0.003 0.000 0.926 1566 I N 1.024 121.612 120.570 0.031 0.000 2.439 1566 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 1566 I C 2.197 178.329 176.117 0.025 0.000 1.139 1566 I CA 1.478 62.798 61.300 0.032 0.000 1.438 1566 I CB -0.984 37.023 38.000 0.012 0.000 1.085 1566 I HN 0.427 nan 8.210 nan 0.000 0.427 1567 K N 0.186 120.591 120.400 0.008 0.000 2.211 1567 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 1567 K C 1.681 178.282 176.600 0.001 0.000 1.047 1567 K CA 1.726 58.012 56.287 -0.002 0.000 0.935 1567 K CB -0.805 31.683 32.500 -0.019 0.000 0.728 1567 K HN 0.338 nan 8.250 nan 0.000 0.452 1568 c N 0.858 119.466 118.600 0.014 0.000 2.696 1568 c HA 0.254 4.824 4.570 -0.000 0.000 0.264 1568 c C 2.400 176.526 174.090 0.060 0.000 1.288 1568 c CA -0.534 55.811 56.329 0.027 0.000 1.717 1568 c CB -0.982 41.547 42.510 0.032 0.000 1.893 1568 c HN 0.531 nan 8.230 nan 0.000 0.577 1569 R N 1.843 122.385 120.500 0.070 0.000 2.120 1569 R HA -0.169 4.170 4.340 -0.000 0.000 0.234 1569 R C 2.079 178.420 176.300 0.067 0.000 1.123 1569 R CA 1.547 57.707 56.100 0.099 0.000 0.975 1569 R CB -0.192 30.169 30.300 0.101 0.000 0.866 1569 R HN 0.664 nan 8.270 nan 0.000 0.446 1570 E N -0.609 119.618 120.200 0.045 0.000 2.158 1570 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 1570 E C 1.529 178.151 176.600 0.037 0.000 0.982 1570 E CA 0.852 57.271 56.400 0.032 0.000 0.823 1570 E CB 0.052 29.763 29.700 0.019 0.000 0.766 1570 E HN 0.459 nan 8.360 nan 0.000 0.468 1571 A N 0.583 123.437 122.820 0.056 0.000 2.021 1571 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 1571 A C 2.037 179.696 177.584 0.126 0.000 1.163 1571 A CA 0.348 52.446 52.037 0.102 0.000 0.676 1571 A CB -0.229 18.837 19.000 0.110 0.000 0.818 1571 A HN 0.248 nan 8.150 nan 0.000 0.453 1572 L N -0.821 120.444 121.223 0.071 0.000 2.131 1572 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 1572 L C 1.050 177.873 176.870 -0.079 0.000 1.087 1572 L CA 1.084 55.877 54.840 -0.079 0.000 0.767 1572 L CB -0.410 41.555 42.059 -0.157 0.000 0.917 1572 L HN 0.539 nan 8.230 nan 0.000 0.441 1573 K N 0.504 120.901 120.400 -0.004 0.000 3.264 1573 K HA -0.219 4.100 4.320 -0.000 0.000 0.267 1573 K C -0.611 176.009 176.600 0.033 0.000 0.886 1573 K CA 0.978 57.276 56.287 0.019 0.000 0.665 1573 K CB -2.807 29.701 32.500 0.014 0.000 1.447 1573 K HN 0.276 nan 8.250 nan 0.000 0.464 1574 L N 1.093 122.325 121.223 0.014 0.000 2.360 1574 L HA 0.184 4.524 4.340 -0.000 0.000 0.276 1574 L C 0.679 177.635 176.870 0.143 0.000 1.121 1574 L CA 0.047 54.903 54.840 0.025 0.000 0.845 1574 L CB 0.476 42.439 42.059 -0.159 0.000 1.143 1574 L HN 0.316 nan 8.230 nan 0.000 0.452 1575 E N 2.957 123.299 120.200 0.237 0.000 2.191 1575 E HA 0.295 4.644 4.350 -0.000 0.000 0.274 1575 E C -0.701 176.002 176.600 0.173 0.000 0.948 1575 E CA -0.777 55.722 56.400 0.165 0.000 0.802 1575 E CB 1.765 31.542 29.700 0.129 0.000 1.137 1575 E HN 0.511 nan 8.360 nan 0.000 0.397 1576 E N 1.545 121.804 120.200 0.098 0.000 2.425 1576 E HA -0.029 4.321 4.350 -0.000 0.000 0.258 1576 E C -0.276 176.344 176.600 0.033 0.000 1.151 1576 E CA 0.100 56.539 56.400 0.066 0.000 0.958 1576 E CB 0.350 30.069 29.700 0.032 0.000 0.968 1576 E HN 0.405 nan 8.360 nan 0.000 0.451 1577 K N -0.057 120.334 120.400 -0.014 0.000 3.088 1577 K HA -0.240 4.080 4.320 -0.000 0.000 0.273 1577 K C -0.679 175.840 176.600 -0.136 0.000 1.111 1577 K CA 0.922 57.164 56.287 -0.075 0.000 0.803 1577 K CB -1.082 31.399 32.500 -0.032 0.000 1.226 1577 K HN 0.366 nan 8.250 nan 0.000 0.485 1578 K N 0.444 120.757 120.400 -0.145 0.000 2.328 1578 K HA 0.372 4.691 4.320 -0.000 0.000 0.246 1578 K C -0.338 175.959 176.600 -0.505 0.000 0.955 1578 K CA -0.908 55.220 56.287 -0.265 0.000 0.817 1578 K CB 1.441 33.850 32.500 -0.150 0.000 1.208 1578 K HN 0.085 nan 8.250 nan 0.000 0.432 1579 H N 1.350 120.146 119.070 -0.456 0.000 2.481 1579 H HA 0.287 4.843 4.556 -0.000 0.000 0.339 1579 H C -0.891 174.054 175.328 -0.639 0.000 1.131 1579 H CA -0.009 55.800 56.048 -0.398 0.000 1.301 1579 H CB 0.886 30.462 29.762 -0.310 0.000 1.476 1579 H HN 0.449 nan 8.280 nan 0.000 0.529 1580 Y N 0.697 121.032 120.300 0.058 0.000 2.504 1580 Y HA 0.155 4.704 4.550 -0.000 0.000 0.344 1580 Y C -0.561 175.422 175.900 0.138 0.000 1.023 1580 Y CA -0.943 57.197 58.100 0.067 0.000 1.020 1580 Y CB 1.777 40.203 38.460 -0.057 0.000 1.282 1580 Y HN 0.371 nan 8.280 nan 0.000 0.454 1581 L N 6.085 127.563 121.223 0.425 0.000 2.255 1581 L HA 0.671 5.011 4.340 -0.000 0.000 0.289 1581 L C -0.734 176.324 176.870 0.314 0.000 1.046 1581 L CA -0.612 54.488 54.840 0.434 0.000 0.816 1581 L CB 0.164 42.594 42.059 0.618 0.000 1.197 1581 L HN 0.661 nan 8.230 nan 0.000 0.427 1582 M N 4.197 123.954 119.600 0.262 0.000 2.386 1582 M HA 0.724 5.203 4.480 -0.000 0.000 0.293 1582 M C -1.861 174.585 176.300 0.244 0.000 1.120 1582 M CA -0.636 54.748 55.300 0.140 0.000 0.909 1582 M CB 1.955 34.561 32.600 0.010 0.000 1.661 1582 M HN 0.632 nan 8.290 nan 0.000 0.452 1583 W N 1.333 122.689 121.300 0.093 0.000 3.022 1583 W HA 0.943 5.603 4.660 -0.000 0.000 0.335 1583 W C -1.221 175.091 176.519 -0.346 0.000 1.133 1583 W CA -0.730 56.457 57.345 -0.263 0.000 1.219 1583 W CB 0.818 30.140 29.460 -0.231 0.000 1.409 1583 W HN 0.975 nan 8.180 nan 0.000 0.507 1584 G N 1.900 110.241 108.800 -0.766 0.000 3.015 1584 G HA2 0.742 4.702 3.960 -0.000 0.000 0.281 1584 G HA3 0.742 4.702 3.960 -0.000 0.000 0.281 1584 G C -1.477 173.350 174.900 -0.122 0.000 1.386 1584 G CA -1.358 43.594 45.100 -0.247 0.000 0.959 1584 G HN 0.709 nan 8.290 nan 0.000 0.522 1585 L N 0.242 121.564 121.223 0.165 0.000 2.439 1585 L HA 0.273 4.613 4.340 -0.000 0.000 0.259 1585 L C 1.925 179.016 176.870 0.368 0.000 1.129 1585 L CA -0.380 54.592 54.840 0.220 0.000 0.803 1585 L CB 1.726 43.900 42.059 0.192 0.000 1.161 1585 L HN 0.694 nan 8.230 nan 0.000 0.462 1586 S N -1.825 114.105 115.700 0.384 0.000 2.561 1586 S HA -0.082 4.388 4.470 -0.000 0.000 0.225 1586 S C 1.192 176.104 174.600 0.521 0.000 0.977 1586 S CA 0.462 59.002 58.200 0.568 0.000 0.926 1586 S CB -0.282 63.129 63.200 0.351 0.000 0.769 1586 S HN 0.723 nan 8.310 nan 0.000 0.533 1587 S N 0.164 116.068 115.700 0.340 0.000 2.614 1587 S HA 0.285 4.754 4.470 -0.000 0.000 0.230 1587 S C -0.098 174.653 174.600 0.253 0.000 0.952 1587 S CA -0.489 57.873 58.200 0.271 0.000 0.949 1587 S CB -0.009 63.303 63.200 0.185 0.000 0.786 1587 S HN 0.278 nan 8.310 nan 0.000 0.478 1588 D N 0.834 121.380 120.400 0.243 0.000 2.462 1588 D HA 0.352 4.992 4.640 -0.000 0.000 0.221 1588 D C -0.602 175.676 176.300 -0.036 0.000 1.173 1588 D CA -0.297 53.774 54.000 0.119 0.000 0.831 1588 D CB -0.019 40.867 40.800 0.144 0.000 1.001 1588 D HN 0.352 nan 8.370 nan 0.000 0.499 1589 F N 0.264 120.250 119.950 0.059 0.000 2.371 1589 F HA 0.371 4.898 4.527 -0.000 0.000 0.329 1589 F C 0.457 176.326 175.800 0.115 0.000 1.107 1589 F CA -0.551 57.411 58.000 -0.062 0.000 1.137 1589 F CB 1.168 40.081 39.000 -0.144 0.000 1.214 1589 F HN -0.096 nan 8.300 nan 0.000 0.536 1590 W N 2.825 124.111 121.300 -0.025 0.000 2.835 1590 W HA 0.468 5.128 4.660 -0.000 0.000 0.326 1590 W C -0.577 175.883 176.519 -0.097 0.000 1.024 1590 W CA -0.506 56.800 57.345 -0.067 0.000 1.267 1590 W CB 1.493 30.891 29.460 -0.102 0.000 1.267 1590 W HN 0.817 nan 8.180 nan 0.000 0.412 1591 G N 3.296 111.824 108.800 -0.453 0.000 2.440 1591 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.684 1591 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.684 1591 G C -1.367 173.388 174.900 -0.241 0.000 1.309 1591 G CA -1.084 43.785 45.100 -0.384 0.000 0.931 1591 G HN 0.250 nan 8.290 nan 0.000 0.612 1592 E N 0.770 120.848 120.200 -0.203 0.000 2.249 1592 E HA 0.331 4.681 4.350 -0.000 0.000 0.280 1592 E C 0.555 177.086 176.600 -0.116 0.000 1.016 1592 E CA -0.468 55.840 56.400 -0.153 0.000 0.830 1592 E CB 1.389 31.007 29.700 -0.137 0.000 1.081 1592 E HN 0.524 nan 8.360 nan 0.000 0.395 1593 K N 2.449 122.784 120.400 -0.108 0.000 2.380 1593 K HA 0.062 4.381 4.320 -0.000 0.000 0.267 1593 K C -1.554 175.007 176.600 -0.065 0.000 0.990 1593 K CA -1.033 55.203 56.287 -0.085 0.000 0.946 1593 K CB 0.060 32.506 32.500 -0.091 0.000 0.937 1593 K HN 0.179 nan 8.250 nan 0.000 0.491 1594 P HA 0.049 nan 4.420 nan 0.000 0.253 1594 P C -0.829 176.451 177.300 -0.034 0.000 1.260 1594 P CA 0.319 63.396 63.100 -0.038 0.000 0.800 1594 P CB 0.199 31.886 31.700 -0.022 0.000 1.162 1595 N N 0.684 119.357 118.700 -0.046 0.000 3.303 1595 N HA 0.121 4.860 4.740 -0.000 0.000 0.304 1595 N C -0.118 175.357 175.510 -0.058 0.000 1.302 1595 N CA 0.134 53.159 53.050 -0.042 0.000 1.213 1595 N CB -0.392 38.067 38.487 -0.045 0.000 1.481 1595 N HN 0.235 nan 8.380 nan 0.000 0.546 1596 L N -0.002 121.189 121.223 -0.053 0.000 2.418 1596 L HA 0.359 4.699 4.340 -0.000 0.000 0.265 1596 L C 0.325 177.145 176.870 -0.084 0.000 1.143 1596 L CA -0.137 54.661 54.840 -0.071 0.000 0.809 1596 L CB 0.828 42.845 42.059 -0.070 0.000 1.124 1596 L HN 0.075 nan 8.230 nan 0.000 0.456 1597 S N 0.728 116.366 115.700 -0.104 0.000 2.776 1597 S HA 0.404 4.874 4.470 -0.000 0.000 0.284 1597 S C -0.926 173.540 174.600 -0.223 0.000 1.160 1597 S CA -0.653 57.491 58.200 -0.094 0.000 1.051 1597 S CB 0.692 63.916 63.200 0.040 0.000 1.037 1597 S HN 0.223 nan 8.310 nan 0.000 0.485 1598 Y N 2.432 122.420 120.300 -0.520 0.000 2.480 1598 Y HA 0.233 4.783 4.550 -0.000 0.000 0.338 1598 Y C 0.683 176.377 175.900 -0.342 0.000 1.220 1598 Y CA -0.197 57.477 58.100 -0.709 0.000 1.430 1598 Y CB 0.369 37.943 38.460 -1.477 0.000 1.311 1598 Y HN 0.404 nan 8.280 nan 0.000 0.575 1599 I N 4.473 125.030 120.570 -0.020 0.000 2.406 1599 I HA 0.217 4.386 4.170 -0.000 0.000 0.290 1599 I C -0.150 176.061 176.117 0.156 0.000 0.999 1599 I CA -0.992 60.339 61.300 0.053 0.000 1.124 1599 I CB 1.451 39.443 38.000 -0.014 0.000 1.289 1599 I HN 0.545 nan 8.210 nan 0.000 0.441 1600 I N 5.993 126.656 120.570 0.156 0.000 2.227 1600 I HA 0.183 4.353 4.170 -0.000 0.000 0.297 1600 I C 1.171 177.340 176.117 0.086 0.000 1.173 1600 I CA -0.024 61.356 61.300 0.132 0.000 1.356 1600 I CB -0.092 37.930 38.000 0.037 0.000 1.485 1600 I HN 0.644 nan 8.210 nan 0.000 0.604 1601 G N 3.978 112.837 108.800 0.097 0.000 2.543 1601 G HA2 0.173 4.133 3.960 -0.000 0.000 0.290 1601 G HA3 0.173 4.133 3.960 -0.000 0.000 0.290 1601 G C 0.903 175.846 174.900 0.071 0.000 1.310 1601 G CA -0.600 44.541 45.100 0.068 0.000 1.025 1601 G HN 0.719 nan 8.290 nan 0.000 0.502 1602 K N -1.334 119.090 120.400 0.041 0.000 2.515 1602 K HA 0.032 4.351 4.320 -0.000 0.000 0.196 1602 K C -0.184 176.450 176.600 0.056 0.000 1.038 1602 K CA 1.179 57.477 56.287 0.017 0.000 0.967 1602 K CB 0.273 32.765 32.500 -0.013 0.000 0.780 1602 K HN 0.172 nan 8.250 nan 0.000 0.483 1603 D N 1.129 121.583 120.400 0.090 0.000 2.593 1603 D HA 0.080 4.720 4.640 -0.000 0.000 0.241 1603 D C -0.827 175.558 176.300 0.141 0.000 1.257 1603 D CA 0.006 54.079 54.000 0.122 0.000 0.828 1603 D CB 1.167 42.040 40.800 0.122 0.000 1.049 1603 D HN 0.019 nan 8.370 nan 0.000 0.490 1604 T N 0.872 115.496 114.554 0.117 0.000 2.772 1604 T HA 0.102 4.452 4.350 -0.000 0.000 0.288 1604 T C -0.344 174.326 174.700 -0.049 0.000 0.994 1604 T CA -0.694 61.449 62.100 0.072 0.000 0.951 1604 T CB 1.423 70.362 68.868 0.118 0.000 0.933 1604 T HN 0.119 nan 8.240 nan 0.000 0.447 1605 W N 4.981 125.981 121.300 -0.499 0.000 2.238 1605 W HA 0.489 5.149 4.660 -0.000 0.000 0.321 1605 W C -1.531 174.595 176.519 -0.655 0.000 1.293 1605 W CA -0.390 56.477 57.345 -0.797 0.000 1.204 1605 W CB 0.501 28.796 29.460 -1.942 0.000 1.167 1605 W HN 0.284 nan 8.180 nan 0.000 0.553 1606 V N 5.911 125.250 119.914 -0.959 0.000 2.612 1606 V HA 0.243 4.362 4.120 -0.000 0.000 0.301 1606 V C -0.681 174.985 176.094 -0.712 0.000 1.059 1606 V CA -0.815 61.065 62.300 -0.700 0.000 0.886 1606 V CB 1.764 33.115 31.823 -0.787 0.000 1.007 1606 V HN 0.547 nan 8.190 nan 0.000 0.426 1607 E N 2.538 122.601 120.200 -0.228 0.000 2.292 1607 E HA 0.439 4.789 4.350 -0.000 0.000 0.272 1607 E C -1.276 175.469 176.600 0.241 0.000 0.881 1607 E CA -0.864 55.515 56.400 -0.036 0.000 0.754 1607 E CB 1.875 31.665 29.700 0.151 0.000 1.201 1607 E HN 0.874 nan 8.360 nan 0.000 0.425 1608 H N 4.025 123.174 119.070 0.132 0.000 2.848 1608 H HA 0.065 4.621 4.556 -0.000 0.000 0.317 1608 H C -1.185 174.173 175.328 0.051 0.000 1.046 1608 H CA -0.018 56.082 56.048 0.087 0.000 1.470 1608 H CB 0.542 30.323 29.762 0.032 0.000 1.483 1608 H HN 0.352 nan 8.280 nan 0.000 0.548 1609 W N 9.244 130.156 121.300 -0.647 0.000 2.283 1609 W HA 0.278 4.938 4.660 -0.000 0.000 0.317 1609 W C -2.779 173.449 176.519 -0.484 0.000 1.042 1609 W CA -3.032 54.085 57.345 -0.381 0.000 1.348 1609 W CB 0.740 30.075 29.460 -0.209 0.000 1.216 1609 W HN 0.632 nan 8.180 nan 0.000 0.404 1610 P HA -0.083 nan 4.420 nan 0.000 0.261 1610 P C 0.135 177.517 177.300 0.137 0.000 1.183 1610 P CA 0.827 63.946 63.100 0.032 0.000 0.761 1610 P CB 0.613 32.312 31.700 -0.002 0.000 0.785 1611 E N 1.986 122.263 120.200 0.129 0.000 2.416 1611 E HA -0.102 4.248 4.350 -0.000 0.000 0.254 1611 E C 1.241 177.891 176.600 0.084 0.000 1.241 1611 E CA -0.265 56.203 56.400 0.113 0.000 0.969 1611 E CB 0.485 30.259 29.700 0.123 0.000 0.999 1611 E HN 0.346 nan 8.360 nan 0.000 0.481 1612 E N 0.983 121.213 120.200 0.049 0.000 2.013 1612 E HA -0.273 4.076 4.350 -0.000 0.000 0.202 1612 E C 1.295 177.920 176.600 0.042 0.000 1.018 1612 E CA 2.525 58.951 56.400 0.044 0.000 0.834 1612 E CB -0.265 29.449 29.700 0.023 0.000 0.770 1612 E HN 0.648 nan 8.360 nan 0.000 0.459 1613 D N -0.173 120.250 120.400 0.039 0.000 2.350 1613 D HA -0.161 4.479 4.640 -0.000 0.000 0.216 1613 D C 1.203 177.523 176.300 0.034 0.000 0.968 1613 D CA 0.987 55.006 54.000 0.033 0.000 0.894 1613 D CB -0.415 40.403 40.800 0.031 0.000 0.909 1613 D HN 0.471 nan 8.370 nan 0.000 0.520 1614 E N -0.701 119.525 120.200 0.044 0.000 2.385 1614 E HA 0.050 4.399 4.350 -0.000 0.000 0.194 1614 E C 0.760 177.378 176.600 0.031 0.000 1.013 1614 E CA 0.134 56.560 56.400 0.044 0.000 0.866 1614 E CB 0.084 29.825 29.700 0.069 0.000 0.832 1614 E HN 0.259 nan 8.360 nan 0.000 0.500 1615 c N 2.065 120.681 118.600 0.027 0.000 2.379 1615 c HA 0.111 4.680 4.570 -0.000 0.000 0.346 1615 c C 1.323 175.417 174.090 0.008 0.000 1.305 1615 c CA -0.039 56.295 56.329 0.009 0.000 1.657 1615 c CB -1.015 41.501 42.510 0.010 0.000 1.739 1615 c HN 0.335 nan 8.230 nan 0.000 0.594 1616 Q N -0.215 119.591 119.800 0.011 0.000 2.214 1616 Q HA 0.147 4.487 4.340 -0.000 0.000 0.229 1616 Q C -0.323 175.680 176.000 0.006 0.000 0.835 1616 Q CA 0.332 56.140 55.803 0.009 0.000 0.953 1616 Q CB 0.305 29.050 28.738 0.012 0.000 1.131 1616 Q HN 0.588 nan 8.270 nan 0.000 0.501 1617 D N 2.063 122.467 120.400 0.005 0.000 2.341 1617 D HA -0.015 4.625 4.640 -0.000 0.000 0.245 1617 D C 0.912 177.211 176.300 -0.002 0.000 1.106 1617 D CA 0.005 54.007 54.000 0.003 0.000 0.905 1617 D CB 0.744 41.546 40.800 0.004 0.000 1.202 1617 D HN 0.184 nan 8.370 nan 0.000 0.426 1618 E N 0.106 120.305 120.200 -0.003 0.000 2.357 1618 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 1618 E C 0.040 176.636 176.600 -0.007 0.000 1.177 1618 E CA 0.613 57.010 56.400 -0.005 0.000 0.998 1618 E CB -0.112 29.587 29.700 -0.003 0.000 1.106 1618 E HN 0.478 nan 8.360 nan 0.000 0.470 1619 E N -0.276 119.919 120.200 -0.009 0.000 2.535 1619 E HA 0.097 4.447 4.350 -0.000 0.000 0.216 1619 E C 0.807 177.397 176.600 -0.016 0.000 0.845 1619 E CA -0.072 56.321 56.400 -0.012 0.000 1.306 1619 E CB 0.427 30.120 29.700 -0.011 0.000 1.291 1619 E HN 0.128 nan 8.360 nan 0.000 0.635 1620 N N 0.756 119.447 118.700 -0.016 0.000 2.250 1620 N HA 0.039 4.779 4.740 -0.000 0.000 0.190 1620 N C 1.323 176.810 175.510 -0.038 0.000 1.116 1620 N CA 0.261 53.295 53.050 -0.026 0.000 0.881 1620 N CB 0.364 38.842 38.487 -0.015 0.000 1.006 1620 N HN 0.108 nan 8.380 nan 0.000 0.491 1621 Q N 0.497 120.281 119.800 -0.026 0.000 2.135 1621 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 1621 Q C 1.516 177.496 176.000 -0.033 0.000 0.981 1621 Q CA 1.321 57.109 55.803 -0.025 0.000 0.856 1621 Q CB 0.025 28.755 28.738 -0.014 0.000 0.902 1621 Q HN 0.069 nan 8.270 nan 0.000 0.425 1622 K N 0.890 121.271 120.400 -0.031 0.000 2.217 1622 K HA -0.149 4.171 4.320 -0.000 0.000 0.202 1622 K C 1.799 178.370 176.600 -0.049 0.000 1.051 1622 K CA 1.194 57.462 56.287 -0.031 0.000 0.952 1622 K CB 0.082 32.568 32.500 -0.022 0.000 0.736 1622 K HN 0.181 nan 8.250 nan 0.000 0.453 1623 Q N -1.047 118.711 119.800 -0.069 0.000 2.134 1623 Q HA -0.056 4.284 4.340 -0.000 0.000 0.195 1623 Q C 1.882 177.773 176.000 -0.182 0.000 0.958 1623 Q CA 1.291 57.028 55.803 -0.111 0.000 0.840 1623 Q CB -0.083 28.591 28.738 -0.108 0.000 0.918 1623 Q HN 0.371 nan 8.270 nan 0.000 0.467 1624 c N 1.209 119.702 118.600 -0.178 0.000 2.425 1624 c HA -0.112 4.457 4.570 -0.000 0.000 0.277 1624 c C 2.566 176.575 174.090 -0.136 0.000 1.280 1624 c CA 0.816 57.013 56.329 -0.219 0.000 1.744 1624 c CB -0.838 41.595 42.510 -0.129 0.000 1.989 1624 c HN 0.599 nan 8.230 nan 0.000 0.491 1625 Q N 0.593 120.348 119.800 -0.076 0.000 2.124 1625 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 1625 Q C 1.676 177.662 176.000 -0.023 0.000 0.977 1625 Q CA 1.566 57.350 55.803 -0.031 0.000 0.850 1625 Q CB -0.195 28.532 28.738 -0.018 0.000 0.901 1625 Q HN 0.660 nan 8.270 nan 0.000 0.429 1626 D N 0.654 121.024 120.400 -0.049 0.000 2.084 1626 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 1626 D C 1.972 178.268 176.300 -0.008 0.000 0.985 1626 D CA 0.935 54.920 54.000 -0.025 0.000 0.826 1626 D CB -0.262 40.510 40.800 -0.047 0.000 0.978 1626 D HN 0.169 nan 8.370 nan 0.000 0.456 1627 L N 0.598 121.735 121.223 -0.145 0.000 2.042 1627 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 1627 L C 2.562 179.492 176.870 0.101 0.000 1.076 1627 L CA 1.440 56.163 54.840 -0.196 0.000 0.749 1627 L CB -0.908 40.604 42.059 -0.912 0.000 0.893 1627 L HN 0.102 nan 8.230 nan 0.000 0.432 1628 G N -0.178 108.657 108.800 0.058 0.000 2.459 1628 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 1628 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 1628 G C 1.760 176.760 174.900 0.166 0.000 1.183 1628 G CA 0.894 46.092 45.100 0.163 0.000 0.776 1628 G HN 0.471 nan 8.290 nan 0.000 0.552 1629 A N 0.091 122.985 122.820 0.123 0.000 1.972 1629 A HA 0.094 4.414 4.320 -0.000 0.000 0.219 1629 A C 2.158 179.822 177.584 0.134 0.000 1.169 1629 A CA 1.556 53.657 52.037 0.108 0.000 0.635 1629 A CB -0.508 18.536 19.000 0.074 0.000 0.810 1629 A HN 0.430 nan 8.150 nan 0.000 0.446 1630 F N 1.367 121.338 119.950 0.036 0.000 2.075 1630 F HA -0.175 4.352 4.527 -0.000 0.000 0.297 1630 F C 2.459 178.301 175.800 0.070 0.000 1.113 1630 F CA 2.395 60.415 58.000 0.032 0.000 1.218 1630 F CB -0.702 38.313 39.000 0.027 0.000 0.984 1630 F HN 0.203 nan 8.300 nan 0.000 0.472 1631 T N 0.361 115.046 114.554 0.218 0.000 2.652 1631 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 1631 T C 1.738 176.435 174.700 -0.005 0.000 1.039 1631 T CA 1.923 64.093 62.100 0.118 0.000 1.153 1631 T CB -0.411 68.628 68.868 0.285 0.000 0.863 1631 T HN 0.407 nan 8.240 nan 0.000 0.428 1632 E N 0.842 121.071 120.200 0.049 0.000 2.077 1632 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 1632 E C 2.470 179.100 176.600 0.050 0.000 0.989 1632 E CA 1.242 57.669 56.400 0.044 0.000 0.800 1632 E CB -0.235 29.510 29.700 0.076 0.000 0.746 1632 E HN 0.337 nan 8.360 nan 0.000 0.452 1633 S N -0.048 115.669 115.700 0.029 0.000 2.399 1633 S HA -0.101 4.368 4.470 -0.000 0.000 0.231 1633 S C 1.840 176.427 174.600 -0.021 0.000 1.022 1633 S CA 0.849 59.091 58.200 0.069 0.000 0.983 1633 S CB 0.053 63.218 63.200 -0.059 0.000 0.803 1633 S HN 0.133 nan 8.310 nan 0.000 0.480 1634 M N 0.432 119.900 119.600 -0.220 0.000 2.476 1634 M HA 0.145 4.625 4.480 -0.000 0.000 0.262 1634 M C 1.852 178.070 176.300 -0.137 0.000 1.111 1634 M CA 0.626 55.759 55.300 -0.278 0.000 1.127 1634 M CB -0.592 31.674 32.600 -0.556 0.000 1.376 1634 M HN 0.222 nan 8.290 nan 0.000 0.465 1635 V N -0.901 118.960 119.914 -0.089 0.000 2.492 1635 V HA -0.058 4.061 4.120 -0.000 0.000 0.241 1635 V C 2.360 178.403 176.094 -0.086 0.000 1.041 1635 V CA 0.736 62.998 62.300 -0.065 0.000 1.057 1635 V CB -0.077 31.721 31.823 -0.041 0.000 0.711 1635 V HN 0.115 nan 8.190 nan 0.000 0.468 1636 V N -0.391 119.455 119.914 -0.113 0.000 2.283 1636 V HA -0.143 3.977 4.120 -0.000 0.000 0.243 1636 V C 2.068 177.921 176.094 -0.401 0.000 1.039 1636 V CA 2.256 64.373 62.300 -0.305 0.000 1.016 1636 V CB -0.580 30.960 31.823 -0.472 0.000 0.650 1636 V HN 0.483 nan 8.190 nan 0.000 0.449 1637 F N 0.079 119.987 119.950 -0.069 0.000 2.505 1637 F HA 0.535 5.062 4.527 -0.000 0.000 0.289 1637 F C 1.538 177.291 175.800 -0.078 0.000 1.101 1637 F CA 0.654 58.614 58.000 -0.067 0.000 1.446 1637 F CB -0.590 38.369 39.000 -0.068 0.000 1.123 1637 F HN 0.304 nan 8.300 nan 0.000 0.564 1638 G N 0.026 108.868 108.800 0.071 0.000 2.860 1638 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.553 1638 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.553 1638 G C -0.484 174.397 174.900 -0.032 0.000 1.439 1638 G CA -1.119 43.971 45.100 -0.018 0.000 0.879 1638 G HN 0.284 nan 8.290 nan 0.000 0.545 1639 c N 3.285 121.838 118.600 -0.078 0.000 2.519 1639 c HA 0.330 4.900 4.570 -0.000 0.000 0.402 1639 c C -0.374 173.685 174.090 -0.053 0.000 1.475 1639 c CA -0.083 56.193 56.329 -0.089 0.000 1.504 1639 c CB -0.650 41.799 42.510 -0.103 0.000 2.454 1639 c HN 0.729 nan 8.230 nan 0.000 0.615 1640 P HA 0.169 nan 4.420 nan 0.000 0.269 1640 P C -0.095 177.183 177.300 -0.037 0.000 1.215 1640 P CA 0.271 63.347 63.100 -0.040 0.000 0.780 1640 P CB 0.422 32.086 31.700 -0.060 0.000 0.898 1641 N N 0.000 118.685 118.700 -0.025 0.000 1.763 1641 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1641 N CA 0.000 53.037 53.050 -0.022 0.000 0.885 1641 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667