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 2xwb_1_D 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 0.000 176.327 176.300 0.045 0.000 2.045 730 D CA 0.000 54.053 54.000 0.088 0.000 0.868 730 D CB 0.000 40.933 40.800 0.221 0.000 0.688 731 E N 0.487 120.726 120.200 0.065 0.000 2.250 731 E HA 0.355 4.705 4.350 -0.000 0.000 0.265 731 E C -0.522 176.086 176.600 0.013 0.000 1.033 731 E CA -0.291 56.131 56.400 0.037 0.000 0.888 731 E CB 0.654 30.383 29.700 0.048 0.000 1.151 731 E HN 0.511 nan 8.360 nan 0.000 0.412 732 D N 0.875 121.275 120.400 0.000 0.000 2.927 732 D HA -0.213 4.427 4.640 -0.000 0.000 0.236 732 D C -1.106 175.128 176.300 -0.110 0.000 1.163 732 D CA 0.774 54.759 54.000 -0.024 0.000 0.801 732 D CB -1.097 39.706 40.800 0.006 0.000 0.975 732 D HN 0.462 nan 8.370 nan 0.000 0.413 733 I N 1.152 121.662 120.570 -0.100 0.000 2.746 733 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 733 I C -0.361 175.707 176.117 -0.081 0.000 1.600 733 I CA -1.044 60.146 61.300 -0.183 0.000 1.019 733 I CB 1.105 38.826 38.000 -0.464 0.000 1.426 733 I HN 0.025 nan 8.210 nan 0.000 0.460 734 I N 5.973 126.518 120.570 -0.041 0.000 2.752 734 I HA 0.067 4.237 4.170 -0.000 0.000 0.289 734 I C 1.078 177.173 176.117 -0.037 0.000 1.197 734 I CA 0.237 61.528 61.300 -0.015 0.000 1.432 734 I CB 0.747 38.742 38.000 -0.007 0.000 1.359 734 I HN 0.673 nan 8.210 nan 0.000 0.571 735 A N 6.875 129.683 122.820 -0.021 0.000 2.540 735 A HA 0.039 4.359 4.320 -0.000 0.000 0.239 735 A C 1.161 178.740 177.584 -0.010 0.000 1.061 735 A CA -0.246 51.781 52.037 -0.016 0.000 0.758 735 A CB 0.119 19.115 19.000 -0.007 0.000 0.991 735 A HN 0.775 nan 8.150 nan 0.000 0.502 736 E N 1.760 121.957 120.200 -0.004 0.000 2.516 736 E HA -0.096 4.254 4.350 -0.000 0.000 0.199 736 E C 0.605 177.215 176.600 0.016 0.000 1.069 736 E CA 0.988 57.394 56.400 0.010 0.000 0.876 736 E CB 0.155 29.865 29.700 0.017 0.000 0.843 736 E HN 0.828 nan 8.360 nan 0.000 0.530 737 E N -0.165 120.041 120.200 0.010 0.000 2.330 737 E HA 0.048 4.398 4.350 -0.000 0.000 0.200 737 E C 0.909 177.512 176.600 0.005 0.000 0.922 737 E CA 0.034 56.440 56.400 0.011 0.000 0.935 737 E CB 0.055 29.761 29.700 0.010 0.000 0.917 737 E HN 0.004 nan 8.360 nan 0.000 0.491 738 N N 0.849 119.547 118.700 -0.002 0.000 2.471 738 N HA 0.054 4.794 4.740 -0.000 0.000 0.205 738 N C -0.586 174.917 175.510 -0.012 0.000 1.251 738 N CA 0.442 53.484 53.050 -0.012 0.000 0.843 738 N CB 0.027 38.499 38.487 -0.024 0.000 1.044 738 N HN 0.225 nan 8.380 nan 0.000 0.461 739 I N 0.964 121.536 120.570 0.002 0.000 2.330 739 I HA 0.152 4.322 4.170 -0.000 0.000 0.286 739 I C -0.231 175.895 176.117 0.015 0.000 1.025 739 I CA -0.735 60.573 61.300 0.013 0.000 1.197 739 I CB 1.301 39.319 38.000 0.030 0.000 1.358 739 I HN -0.310 nan 8.210 nan 0.000 0.467 740 V N 5.995 125.914 119.914 0.009 0.000 2.356 740 V HA 0.109 4.229 4.120 -0.000 0.000 0.258 740 V C 0.694 176.798 176.094 0.017 0.000 1.065 740 V CA -0.060 62.244 62.300 0.007 0.000 0.935 740 V CB 0.466 32.286 31.823 -0.005 0.000 1.061 740 V HN 0.735 nan 8.190 nan 0.000 0.484 741 S N 5.349 121.063 115.700 0.023 0.000 2.585 741 S HA 0.402 4.872 4.470 -0.000 0.000 0.273 741 S C 0.491 175.105 174.600 0.023 0.000 1.339 741 S CA -0.623 57.603 58.200 0.043 0.000 1.028 741 S CB 0.625 63.858 63.200 0.054 0.000 0.906 741 S HN 0.676 nan 8.310 nan 0.000 0.528 742 R N 0.818 121.353 120.500 0.057 0.000 2.582 742 R HA 0.300 4.640 4.340 -0.000 0.000 0.271 742 R C 0.893 177.131 176.300 -0.104 0.000 1.078 742 R CA 0.127 56.212 56.100 -0.025 0.000 1.127 742 R CB 0.508 30.875 30.300 0.113 0.000 1.038 742 R HN 0.853 nan 8.270 nan 0.000 0.500 743 S N -0.559 114.870 115.700 -0.452 0.000 2.699 743 S HA 0.011 4.481 4.470 -0.000 0.000 0.277 743 S C -0.093 174.088 174.600 -0.699 0.000 1.062 743 S CA -0.613 57.352 58.200 -0.393 0.000 1.116 743 S CB 0.220 63.326 63.200 -0.157 0.000 0.977 743 S HN 0.569 nan 8.310 nan 0.000 0.498 744 E N 1.659 121.403 120.200 -0.761 0.000 1.865 744 E HA 0.282 4.632 4.350 -0.000 0.000 0.269 744 E C -1.526 174.682 176.600 -0.653 0.000 1.177 744 E CA -0.165 55.904 56.400 -0.552 0.000 0.932 744 E CB -0.043 29.425 29.700 -0.387 0.000 1.066 744 E HN 0.455 nan 8.360 nan 0.000 0.405 745 F N 3.098 123.056 119.950 0.013 0.000 2.471 745 F HA 0.299 4.826 4.527 -0.000 0.000 0.318 745 F C -2.010 173.860 175.800 0.115 0.000 1.308 745 F CA -2.510 55.536 58.000 0.076 0.000 1.162 745 F CB 0.221 39.257 39.000 0.060 0.000 1.383 745 F HN 0.218 nan 8.300 nan 0.000 0.552 746 P HA 0.217 nan 4.420 nan 0.000 0.274 746 P C 0.455 177.993 177.300 0.396 0.000 1.237 746 P CA -0.242 63.003 63.100 0.242 0.000 0.793 746 P CB 1.195 32.985 31.700 0.151 0.000 0.977 747 E N -0.548 119.839 120.200 0.311 0.000 2.415 747 E HA 0.082 4.432 4.350 -0.000 0.000 0.197 747 E C -0.164 176.654 176.600 0.364 0.000 1.007 747 E CA 0.276 56.864 56.400 0.312 0.000 0.890 747 E CB 0.262 30.071 29.700 0.182 0.000 0.891 747 E HN 0.501 nan 8.360 nan 0.000 0.496 748 S N 0.349 116.258 115.700 0.347 0.000 2.562 748 S HA 0.519 4.989 4.470 -0.000 0.000 0.274 748 S C -1.077 173.729 174.600 0.342 0.000 1.160 748 S CA -1.177 57.197 58.200 0.290 0.000 0.933 748 S CB 1.105 64.383 63.200 0.130 0.000 1.100 748 S HN 0.322 nan 8.310 nan 0.000 0.468 749 W N 1.293 122.619 121.300 0.043 0.000 2.962 749 W HA 0.710 5.370 4.660 -0.000 0.000 0.405 749 W C -0.610 175.945 176.519 0.060 0.000 1.121 749 W CA -1.304 56.047 57.345 0.009 0.000 1.164 749 W CB -0.119 29.272 29.460 -0.114 0.000 1.489 749 W HN 1.231 nan 8.180 nan 0.000 0.599 750 L N 1.604 122.952 121.223 0.208 0.000 3.608 750 L HA -0.224 4.116 4.340 -0.000 0.000 0.422 750 L C -0.022 176.878 176.870 0.050 0.000 1.260 750 L CA 0.321 55.154 54.840 -0.012 0.000 0.889 750 L CB -1.349 40.392 42.059 -0.530 0.000 1.821 750 L HN 0.649 nan 8.230 nan 0.000 0.884 751 W N 2.241 123.525 121.300 -0.026 0.000 1.694 751 W HA 0.259 4.919 4.660 -0.000 0.000 0.425 751 W C 0.379 176.890 176.519 -0.012 0.000 0.615 751 W CA -0.429 56.902 57.345 -0.024 0.000 2.237 751 W CB -0.031 29.431 29.460 0.003 0.000 1.478 751 W HN 0.405 nan 8.180 nan 0.000 0.427 752 N N 0.353 118.983 118.700 -0.116 0.000 2.725 752 N HA 0.487 5.227 4.740 -0.000 0.000 0.312 752 N C -0.929 174.454 175.510 -0.211 0.000 1.295 752 N CA -0.605 52.373 53.050 -0.120 0.000 0.914 752 N CB 1.425 39.892 38.487 -0.032 0.000 1.177 752 N HN -0.200 nan 8.380 nan 0.000 0.601 753 V N 0.202 120.033 119.914 -0.139 0.000 2.823 753 V HA 0.470 4.590 4.120 -0.000 0.000 0.312 753 V C -0.583 175.458 176.094 -0.089 0.000 1.072 753 V CA -0.662 61.555 62.300 -0.137 0.000 0.937 753 V CB 2.233 33.982 31.823 -0.123 0.000 1.013 753 V HN 0.484 nan 8.190 nan 0.000 0.430 754 E N 1.574 121.722 120.200 -0.086 0.000 2.369 754 E HA 0.582 4.932 4.350 -0.000 0.000 0.270 754 E C -1.810 174.756 176.600 -0.056 0.000 0.909 754 E CA -0.743 55.620 56.400 -0.062 0.000 0.775 754 E CB 2.624 32.288 29.700 -0.060 0.000 1.270 754 E HN 0.614 nan 8.360 nan 0.000 0.445 755 D N 1.401 121.776 120.400 -0.043 0.000 2.696 755 D HA 0.310 4.950 4.640 -0.000 0.000 0.251 755 D C -0.349 175.930 176.300 -0.034 0.000 1.188 755 D CA -0.392 53.585 54.000 -0.038 0.000 0.876 755 D CB 1.422 42.202 40.800 -0.032 0.000 1.334 755 D HN 0.165 nan 8.370 nan 0.000 0.540 756 L N 2.816 124.018 121.223 -0.035 0.000 2.387 756 L HA 0.246 4.586 4.340 -0.000 0.000 0.267 756 L C 1.044 177.899 176.870 -0.026 0.000 1.197 756 L CA 0.094 54.916 54.840 -0.031 0.000 1.070 756 L CB 0.005 42.043 42.059 -0.034 0.000 1.349 756 L HN 0.109 nan 8.230 nan 0.000 0.422 757 K N 1.228 121.614 120.400 -0.023 0.000 2.593 757 K HA 0.198 4.518 4.320 -0.000 0.000 0.208 757 K C -0.269 176.320 176.600 -0.017 0.000 1.051 757 K CA -0.285 55.990 56.287 -0.019 0.000 1.111 757 K CB 0.546 33.035 32.500 -0.018 0.000 0.849 757 K HN 0.404 nan 8.250 nan 0.000 0.479 758 E N 1.258 121.446 120.200 -0.018 0.000 2.283 758 E HA 0.171 4.521 4.350 -0.000 0.000 0.271 758 E C -2.578 174.013 176.600 -0.016 0.000 1.031 758 E CA -2.383 54.007 56.400 -0.017 0.000 0.868 758 E CB 0.192 29.881 29.700 -0.018 0.000 1.094 758 E HN -0.134 nan 8.360 nan 0.000 0.401 759 P HA 0.054 nan 4.420 nan 0.000 0.256 759 P C -2.383 174.909 177.300 -0.014 0.000 1.189 759 P CA -0.664 62.428 63.100 -0.013 0.000 0.808 759 P CB -0.300 31.393 31.700 -0.011 0.000 0.793 760 P HA 0.177 nan 4.420 nan 0.000 0.272 760 P C -0.472 176.820 177.300 -0.014 0.000 1.223 760 P CA 0.039 63.130 63.100 -0.016 0.000 0.784 760 P CB 0.761 32.451 31.700 -0.015 0.000 0.923 761 K N 2.584 122.975 120.400 -0.015 0.000 2.604 761 K HA 0.234 4.554 4.320 -0.000 0.000 0.247 761 K C -0.610 175.982 176.600 -0.013 0.000 0.956 761 K CA -0.570 55.709 56.287 -0.013 0.000 0.896 761 K CB 1.115 33.606 32.500 -0.014 0.000 1.131 761 K HN 0.340 nan 8.250 nan 0.000 0.440 762 N N 1.444 120.137 118.700 -0.012 0.000 2.776 762 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 762 N C 0.583 176.085 175.510 -0.013 0.000 1.111 762 N CA 1.455 54.498 53.050 -0.011 0.000 0.711 762 N CB -1.421 37.059 38.487 -0.011 0.000 1.065 762 N HN 1.115 nan 8.380 nan 0.000 0.556 763 G N -1.490 107.302 108.800 -0.013 0.000 2.148 763 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.254 763 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.254 763 G C -0.238 174.652 174.900 -0.017 0.000 0.981 763 G CA 0.415 45.507 45.100 -0.014 0.000 0.670 763 G HN 0.412 nan 8.290 nan 0.000 0.528 764 I N 1.543 122.102 120.570 -0.018 0.000 2.410 764 I HA 0.429 4.599 4.170 -0.000 0.000 0.286 764 I C 0.332 176.435 176.117 -0.023 0.000 1.009 764 I CA -0.737 60.550 61.300 -0.022 0.000 1.111 764 I CB 1.306 39.292 38.000 -0.022 0.000 1.262 764 I HN 0.027 nan 8.210 nan 0.000 0.443 765 S N 4.234 119.918 115.700 -0.026 0.000 2.585 765 S HA 0.649 5.119 4.470 -0.000 0.000 0.277 765 S C 0.186 174.767 174.600 -0.032 0.000 1.241 765 S CA -0.369 57.815 58.200 -0.026 0.000 1.041 765 S CB 1.511 64.695 63.200 -0.026 0.000 0.987 765 S HN 0.590 nan 8.310 nan 0.000 0.512 766 T N 2.637 117.172 114.554 -0.031 0.000 2.881 766 T HA 0.406 4.756 4.350 -0.000 0.000 0.291 766 T C -0.672 174.008 174.700 -0.034 0.000 0.990 766 T CA -0.691 61.387 62.100 -0.036 0.000 0.976 766 T CB 1.150 69.997 68.868 -0.035 0.000 0.970 766 T HN 0.496 nan 8.240 nan 0.000 0.438 767 K N 3.560 123.936 120.400 -0.040 0.000 2.221 767 K HA 0.604 4.924 4.320 -0.000 0.000 0.258 767 K C -1.053 175.524 176.600 -0.038 0.000 0.944 767 K CA -0.856 55.410 56.287 -0.035 0.000 0.823 767 K CB 0.962 33.440 32.500 -0.036 0.000 1.113 767 K HN 0.486 nan 8.250 nan 0.000 0.431 768 L N 6.071 127.277 121.223 -0.028 0.000 2.371 768 L HA 0.336 4.676 4.340 -0.000 0.000 0.262 768 L C 0.019 176.879 176.870 -0.017 0.000 1.054 768 L CA -0.506 54.318 54.840 -0.027 0.000 0.924 768 L CB 0.765 42.811 42.059 -0.022 0.000 1.295 768 L HN 0.672 nan 8.230 nan 0.000 0.441 769 M N 1.674 121.263 119.600 -0.018 0.000 2.157 769 M HA 0.107 4.587 4.480 -0.000 0.000 0.304 769 M C 0.414 176.719 176.300 0.007 0.000 1.171 769 M CA 0.464 55.764 55.300 0.000 0.000 1.157 769 M CB 0.539 33.138 32.600 -0.002 0.000 1.403 769 M HN 0.444 nan 8.290 nan 0.000 0.473 770 N N 2.066 120.788 118.700 0.036 0.000 2.727 770 N HA 0.328 5.068 4.740 -0.000 0.000 0.252 770 N C -1.259 174.294 175.510 0.072 0.000 1.283 770 N CA -0.289 52.772 53.050 0.018 0.000 0.782 770 N CB 0.701 39.200 38.487 0.019 0.000 1.199 770 N HN 0.611 nan 8.380 nan 0.000 0.520 771 I N -1.147 119.466 120.570 0.072 0.000 2.662 771 I HA 0.453 4.623 4.170 -0.000 0.000 0.291 771 I C -0.959 175.226 176.117 0.114 0.000 1.046 771 I CA -0.320 61.102 61.300 0.202 0.000 1.361 771 I CB 0.524 38.657 38.000 0.221 0.000 1.429 771 I HN 0.083 nan 8.210 nan 0.000 0.558 772 F N 5.015 125.015 119.950 0.082 0.000 2.361 772 F HA 0.496 5.023 4.527 -0.000 0.000 0.364 772 F C 0.143 175.842 175.800 -0.168 0.000 1.117 772 F CA -0.564 57.419 58.000 -0.027 0.000 1.071 772 F CB 1.207 40.165 39.000 -0.070 0.000 1.188 772 F HN 0.330 nan 8.300 nan 0.000 0.464 773 L N 4.801 126.002 121.223 -0.037 0.000 2.456 773 L HA 0.101 4.441 4.340 -0.000 0.000 0.272 773 L C 1.032 177.689 176.870 -0.355 0.000 1.189 773 L CA -0.401 54.326 54.840 -0.188 0.000 0.846 773 L CB 0.338 42.411 42.059 0.023 0.000 1.111 773 L HN 0.535 nan 8.230 nan 0.000 0.475 774 K N 1.744 121.746 120.400 -0.664 0.000 2.863 774 K HA 0.040 4.360 4.320 -0.000 0.000 0.315 774 K C 0.303 176.812 176.600 -0.151 0.000 1.051 774 K CA -0.024 55.950 56.287 -0.521 0.000 1.028 774 K CB 0.189 32.269 32.500 -0.699 0.000 1.129 774 K HN 0.508 nan 8.250 nan 0.000 0.459 775 D N -0.392 119.946 120.400 -0.103 0.000 2.454 775 D HA 0.052 4.692 4.640 -0.000 0.000 0.214 775 D C -0.187 176.314 176.300 0.336 0.000 1.088 775 D CA 0.196 54.185 54.000 -0.018 0.000 0.855 775 D CB 0.192 40.757 40.800 -0.392 0.000 1.025 775 D HN 0.137 nan 8.370 nan 0.000 0.502 776 S N 1.050 117.061 115.700 0.518 0.000 2.525 776 S HA 0.139 4.609 4.470 -0.000 0.000 0.285 776 S C 0.739 175.415 174.600 0.126 0.000 1.283 776 S CA -0.092 58.387 58.200 0.465 0.000 1.072 776 S CB 0.633 64.087 63.200 0.423 0.000 0.867 776 S HN 0.130 nan 8.310 nan 0.000 0.492 777 I N 3.901 124.413 120.570 -0.097 0.000 2.278 777 I HA 0.258 4.428 4.170 -0.000 0.000 0.296 777 I C 0.712 176.610 176.117 -0.366 0.000 1.121 777 I CA 0.142 61.266 61.300 -0.294 0.000 1.267 777 I CB 0.119 37.759 38.000 -0.600 0.000 1.447 777 I HN 0.611 nan 8.210 nan 0.000 0.509 778 T N 3.049 117.362 114.554 -0.402 0.000 2.669 778 T HA 0.270 4.620 4.350 -0.000 0.000 0.302 778 T C -0.996 173.389 174.700 -0.526 0.000 1.659 778 T CA -0.358 61.459 62.100 -0.472 0.000 0.979 778 T CB 1.669 70.205 68.868 -0.555 0.000 1.895 778 T HN 0.301 nan 8.240 nan 0.000 0.466 779 T N 2.110 116.376 114.554 -0.480 0.000 2.758 779 T HA 0.536 4.886 4.350 -0.000 0.000 0.285 779 T C -1.082 173.407 174.700 -0.352 0.000 0.981 779 T CA -0.212 61.677 62.100 -0.350 0.000 0.965 779 T CB 0.239 68.981 68.868 -0.210 0.000 0.927 779 T HN 0.425 nan 8.240 nan 0.000 0.448 780 W N 2.158 123.464 121.300 0.010 0.000 2.322 780 W HA 0.391 5.051 4.660 -0.000 0.000 0.307 780 W C 0.782 177.274 176.519 -0.044 0.000 1.220 780 W CA -0.767 56.600 57.345 0.037 0.000 1.210 780 W CB 0.525 30.066 29.460 0.136 0.000 1.223 780 W HN 0.590 nan 8.180 nan 0.000 0.511 781 E N 4.375 124.682 120.200 0.177 0.000 2.014 781 E HA 0.266 4.616 4.350 -0.000 0.000 0.275 781 E C -0.636 176.009 176.600 0.074 0.000 0.997 781 E CA -0.369 56.077 56.400 0.076 0.000 0.804 781 E CB 0.292 30.018 29.700 0.044 0.000 1.090 781 E HN 0.420 nan 8.360 nan 0.000 0.401 782 I N 5.452 126.064 120.570 0.070 0.000 2.352 782 I HA 0.128 4.298 4.170 -0.000 0.000 0.290 782 I C -0.224 175.921 176.117 0.046 0.000 1.036 782 I CA -0.633 60.683 61.300 0.027 0.000 1.336 782 I CB 0.687 38.712 38.000 0.043 0.000 1.407 782 I HN 0.435 nan 8.210 nan 0.000 0.497 783 L N 7.480 128.709 121.223 0.010 0.000 2.309 783 L HA 0.768 5.108 4.340 -0.000 0.000 0.282 783 L C -0.287 176.568 176.870 -0.024 0.000 1.036 783 L CA -0.145 54.703 54.840 0.012 0.000 0.806 783 L CB 1.417 43.490 42.059 0.025 0.000 1.220 783 L HN 0.659 nan 8.230 nan 0.000 0.429 784 A N 4.890 127.696 122.820 -0.023 0.000 2.343 784 A HA 0.749 5.069 4.320 -0.000 0.000 0.308 784 A C -1.455 176.099 177.584 -0.050 0.000 1.092 784 A CA -0.519 51.487 52.037 -0.052 0.000 0.751 784 A CB 1.393 20.363 19.000 -0.049 0.000 1.203 784 A HN 0.487 nan 8.150 nan 0.000 0.452 785 V N 3.207 123.077 119.914 -0.073 0.000 2.376 785 V HA 0.424 4.544 4.120 -0.000 0.000 0.287 785 V C 0.372 176.425 176.094 -0.069 0.000 1.015 785 V CA -0.399 61.863 62.300 -0.063 0.000 0.834 785 V CB 1.354 33.136 31.823 -0.069 0.000 1.001 785 V HN 1.017 nan 8.190 nan 0.000 0.428 786 S N 4.972 120.641 115.700 -0.053 0.000 2.537 786 S HA 0.741 5.211 4.470 -0.000 0.000 0.275 786 S C -0.474 174.099 174.600 -0.044 0.000 1.272 786 S CA -0.603 57.566 58.200 -0.051 0.000 1.050 786 S CB 1.445 64.619 63.200 -0.043 0.000 0.961 786 S HN 0.639 nan 8.310 nan 0.000 0.496 787 M N 3.770 123.342 119.600 -0.046 0.000 2.006 787 M HA 0.463 4.943 4.480 -0.000 0.000 0.314 787 M C -0.566 175.714 176.300 -0.033 0.000 0.926 787 M CA -0.299 54.978 55.300 -0.039 0.000 0.906 787 M CB 1.045 33.618 32.600 -0.043 0.000 1.422 787 M HN 0.759 nan 8.290 nan 0.000 0.397 788 S N 1.662 117.345 115.700 -0.028 0.000 2.549 788 S HA 0.489 4.959 4.470 -0.000 0.000 0.297 788 S C 0.506 175.094 174.600 -0.020 0.000 1.115 788 S CA -0.583 57.603 58.200 -0.024 0.000 1.059 788 S CB 0.829 64.016 63.200 -0.023 0.000 1.046 788 S HN 0.753 nan 8.310 nan 0.000 0.506 789 D N 3.257 123.646 120.400 -0.018 0.000 2.363 789 D HA 0.057 4.697 4.640 -0.000 0.000 0.226 789 D C 0.930 177.221 176.300 -0.014 0.000 1.020 789 D CA 0.756 54.746 54.000 -0.015 0.000 0.892 789 D CB 0.149 40.940 40.800 -0.015 0.000 0.900 789 D HN 0.502 nan 8.370 nan 0.000 0.531 790 K N -0.227 120.165 120.400 -0.014 0.000 2.313 790 K HA 0.149 4.469 4.320 -0.000 0.000 0.215 790 K C 1.844 178.437 176.600 -0.012 0.000 1.109 790 K CA -0.217 56.062 56.287 -0.013 0.000 0.895 790 K CB 0.359 32.851 32.500 -0.013 0.000 1.234 790 K HN -0.179 nan 8.250 nan 0.000 0.463 791 K N 0.660 121.051 120.400 -0.014 0.000 2.031 791 K HA 0.069 4.389 4.320 -0.000 0.000 0.205 791 K C 1.165 177.757 176.600 -0.013 0.000 1.049 791 K CA 1.278 57.557 56.287 -0.013 0.000 0.939 791 K CB -0.132 32.359 32.500 -0.015 0.000 0.717 791 K HN 0.433 nan 8.250 nan 0.000 0.438 792 G N 0.912 109.703 108.800 -0.015 0.000 2.422 792 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.607 792 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.607 792 G C -0.783 174.107 174.900 -0.017 0.000 1.270 792 G CA -0.398 44.694 45.100 -0.015 0.000 0.992 792 G HN 0.229 nan 8.290 nan 0.000 0.499 793 I N -0.214 120.346 120.570 -0.016 0.000 2.648 793 I HA 0.467 4.637 4.170 -0.000 0.000 0.284 793 I C 0.307 176.414 176.117 -0.016 0.000 1.153 793 I CA -0.018 61.271 61.300 -0.018 0.000 1.426 793 I CB 0.224 38.215 38.000 -0.015 0.000 1.381 793 I HN 0.910 nan 8.210 nan 0.000 0.571 794 C N 7.855 127.143 119.300 -0.020 0.000 2.620 794 C HA 0.428 4.888 4.460 -0.000 0.000 0.356 794 C C -0.526 174.453 174.990 -0.018 0.000 1.082 794 C CA -0.546 58.462 59.018 -0.017 0.000 1.293 794 C CB 0.451 28.180 27.740 -0.018 0.000 1.836 794 C HN 0.595 nan 8.230 nan 0.000 0.453 795 V N 7.128 127.036 119.914 -0.011 0.000 2.356 795 V HA 0.473 4.593 4.120 -0.000 0.000 0.258 795 V C 1.233 177.324 176.094 -0.004 0.000 1.065 795 V CA 0.497 62.792 62.300 -0.008 0.000 0.935 795 V CB 0.326 32.149 31.823 0.000 0.000 1.061 795 V HN 1.086 nan 8.190 nan 0.000 0.484 796 A N 4.752 127.568 122.820 -0.007 0.000 2.281 796 A HA 0.304 4.624 4.320 -0.000 0.000 0.271 796 A C 0.159 177.751 177.584 0.014 0.000 1.196 796 A CA -0.377 51.658 52.037 -0.002 0.000 0.807 796 A CB 0.103 19.096 19.000 -0.011 0.000 1.138 796 A HN 0.733 nan 8.150 nan 0.000 0.506 797 D N 0.712 121.126 120.400 0.024 0.000 2.256 797 D HA 0.471 5.111 4.640 -0.000 0.000 0.250 797 D C -2.373 173.970 176.300 0.071 0.000 1.093 797 D CA -0.889 53.137 54.000 0.042 0.000 0.882 797 D CB 0.295 41.123 40.800 0.046 0.000 1.185 797 D HN 0.153 nan 8.370 nan 0.000 0.437 798 P HA 0.055 nan 4.420 nan 0.000 0.262 798 P C -0.734 176.648 177.300 0.137 0.000 1.199 798 P CA -0.127 63.023 63.100 0.083 0.000 0.763 798 P CB 0.048 31.776 31.700 0.047 0.000 0.790 799 F N 3.449 123.401 119.950 0.003 0.000 2.385 799 F HA 0.267 4.794 4.527 -0.000 0.000 0.360 799 F C 0.374 176.190 175.800 0.027 0.000 1.122 799 F CA -0.767 57.239 58.000 0.009 0.000 1.090 799 F CB 0.884 39.885 39.000 0.001 0.000 1.150 799 F HN 0.260 nan 8.300 nan 0.000 0.472 800 E N 4.146 123.999 120.200 -0.579 0.000 2.349 800 E HA 0.498 4.848 4.350 -0.000 0.000 0.265 800 E C -1.162 175.036 176.600 -0.670 0.000 1.064 800 E CA -0.761 55.369 56.400 -0.450 0.000 0.886 800 E CB 2.123 31.662 29.700 -0.269 0.000 1.036 800 E HN 0.403 nan 8.360 nan 0.000 0.413 801 V N 2.615 122.372 119.914 -0.262 0.000 2.498 801 V HA 0.128 4.248 4.120 -0.000 0.000 0.283 801 V C -0.441 175.649 176.094 -0.006 0.000 1.015 801 V CA -0.751 61.482 62.300 -0.112 0.000 0.867 801 V CB 1.718 33.607 31.823 0.110 0.000 1.025 801 V HN 0.674 nan 8.190 nan 0.000 0.441 802 T N 4.319 118.833 114.554 -0.066 0.000 2.832 802 T HA 0.529 4.879 4.350 -0.000 0.000 0.296 802 T C -0.115 174.568 174.700 -0.029 0.000 0.968 802 T CA -0.202 61.849 62.100 -0.083 0.000 1.107 802 T CB 1.426 70.228 68.868 -0.109 0.000 0.916 802 T HN 0.355 nan 8.240 nan 0.000 0.517 803 V N 4.965 124.848 119.914 -0.052 0.000 2.398 803 V HA 0.453 4.573 4.120 -0.000 0.000 0.282 803 V C -0.207 175.824 176.094 -0.106 0.000 1.014 803 V CA -0.683 61.611 62.300 -0.010 0.000 0.838 803 V CB 1.242 33.137 31.823 0.120 0.000 1.018 803 V HN 0.861 nan 8.190 nan 0.000 0.432 804 M N 3.204 122.741 119.600 -0.106 0.000 2.821 804 M HA 0.669 5.149 4.480 -0.000 0.000 0.304 804 M C -1.116 175.148 176.300 -0.061 0.000 1.233 804 M CA -0.558 54.642 55.300 -0.167 0.000 0.851 804 M CB 2.767 35.259 32.600 -0.180 0.000 1.723 804 M HN 0.704 nan 8.290 nan 0.000 0.493 805 Q N 0.293 120.098 119.800 0.008 0.000 2.345 805 Q HA 0.216 4.556 4.340 -0.000 0.000 0.275 805 Q C -0.816 175.407 176.000 0.371 0.000 1.063 805 Q CA -0.677 55.232 55.803 0.178 0.000 0.819 805 Q CB 1.997 30.843 28.738 0.181 0.000 1.356 805 Q HN 0.762 nan 8.270 nan 0.000 0.418 806 D N 1.342 121.929 120.400 0.310 0.000 2.123 806 D HA -0.075 4.565 4.640 -0.000 0.000 0.196 806 D C -0.160 176.406 176.300 0.444 0.000 0.992 806 D CA 1.584 55.789 54.000 0.343 0.000 0.833 806 D CB 0.118 41.064 40.800 0.243 0.000 0.954 806 D HN 0.316 nan 8.370 nan 0.000 0.455 807 F N 0.423 120.528 119.950 0.259 0.000 2.539 807 F HA 0.446 4.973 4.527 -0.000 0.000 0.318 807 F C -1.446 174.520 175.800 0.278 0.000 1.135 807 F CA -1.271 56.828 58.000 0.164 0.000 0.915 807 F CB 0.973 40.024 39.000 0.086 0.000 1.176 807 F HN -0.154 nan 8.300 nan 0.000 0.440 808 F N 4.612 124.222 119.950 -0.566 0.000 2.745 808 F HA 0.779 5.306 4.527 -0.000 0.000 0.316 808 F C -2.037 173.525 175.800 -0.397 0.000 1.155 808 F CA -1.684 56.044 58.000 -0.454 0.000 0.937 808 F CB 1.109 40.043 39.000 -0.110 0.000 1.361 808 F HN 0.253 nan 8.300 nan 0.000 0.472 809 I N 1.322 121.919 120.570 0.045 0.000 2.441 809 I HA 0.326 4.496 4.170 -0.000 0.000 0.295 809 I C -1.289 174.975 176.117 0.245 0.000 0.994 809 I CA -0.533 60.795 61.300 0.047 0.000 1.144 809 I CB 1.744 39.750 38.000 0.009 0.000 1.314 809 I HN 0.562 nan 8.210 nan 0.000 0.445 810 D N 6.458 127.000 120.400 0.236 0.000 2.477 810 D HA 0.247 4.887 4.640 -0.000 0.000 0.239 810 D C -1.079 175.283 176.300 0.102 0.000 1.102 810 D CA -0.458 53.684 54.000 0.237 0.000 0.901 810 D CB 0.949 42.036 40.800 0.479 0.000 1.026 810 D HN 0.197 nan 8.370 nan 0.000 0.515 811 L N 4.568 125.807 121.223 0.027 0.000 2.302 811 L HA 0.377 4.717 4.340 -0.000 0.000 0.285 811 L C -0.157 176.701 176.870 -0.020 0.000 1.090 811 L CA -0.165 54.679 54.840 0.005 0.000 0.866 811 L CB -0.002 42.048 42.059 -0.015 0.000 1.244 811 L HN 0.187 nan 8.230 nan 0.000 0.435 812 R N 4.930 125.435 120.500 0.009 0.000 2.196 812 R HA 0.496 4.836 4.340 -0.000 0.000 0.340 812 R C -1.096 175.207 176.300 0.005 0.000 1.043 812 R CA -0.804 55.298 56.100 0.003 0.000 0.883 812 R CB 0.896 31.210 30.300 0.023 0.000 1.078 812 R HN 0.376 nan 8.270 nan 0.000 0.462 813 L N 4.031 125.253 121.223 -0.003 0.000 2.330 813 L HA 0.524 4.864 4.340 -0.000 0.000 0.271 813 L C -1.827 175.058 176.870 0.024 0.000 1.013 813 L CA -2.092 52.751 54.840 0.005 0.000 0.816 813 L CB 0.866 42.920 42.059 -0.008 0.000 1.287 813 L HN 0.441 nan 8.230 nan 0.000 0.435 814 P HA 0.075 nan 4.420 nan 0.000 0.273 814 P C 0.183 177.538 177.300 0.092 0.000 1.250 814 P CA -0.216 62.924 63.100 0.066 0.000 0.793 814 P CB 0.380 32.118 31.700 0.064 0.000 1.011 815 Y N 0.620 120.927 120.300 0.012 0.000 2.145 815 Y HA -0.116 4.434 4.550 -0.000 0.000 0.286 815 Y C 0.733 176.649 175.900 0.027 0.000 1.145 815 Y CA 1.920 60.031 58.100 0.017 0.000 1.148 815 Y CB 0.110 38.577 38.460 0.011 0.000 0.981 815 Y HN 0.432 nan 8.280 nan 0.000 0.507 816 S N -0.505 115.275 115.700 0.134 0.000 2.550 816 S HA 0.637 5.107 4.470 -0.000 0.000 0.270 816 S C -1.213 173.438 174.600 0.086 0.000 1.145 816 S CA -0.364 57.868 58.200 0.053 0.000 0.852 816 S CB 1.682 64.948 63.200 0.109 0.000 1.119 816 S HN 0.612 nan 8.310 nan 0.000 0.465 817 V N -0.807 119.148 119.914 0.068 0.000 2.876 817 V HA 0.860 4.980 4.120 -0.000 0.000 0.312 817 V C -0.361 175.774 176.094 0.067 0.000 1.085 817 V CA -0.970 61.376 62.300 0.077 0.000 0.945 817 V CB 1.263 33.143 31.823 0.095 0.000 1.017 817 V HN 0.878 nan 8.190 nan 0.000 0.428 818 V N 3.329 123.281 119.914 0.063 0.000 2.686 818 V HA 0.368 4.488 4.120 -0.000 0.000 0.295 818 V C 0.843 176.966 176.094 0.048 0.000 1.055 818 V CA -0.301 62.030 62.300 0.052 0.000 1.050 818 V CB 1.062 32.912 31.823 0.045 0.000 0.984 818 V HN 1.086 nan 8.190 nan 0.000 0.482 819 R N 4.273 124.795 120.500 0.037 0.000 2.590 819 R HA 0.079 4.419 4.340 -0.000 0.000 0.274 819 R C 0.786 177.100 176.300 0.024 0.000 1.061 819 R CA 0.313 56.425 56.100 0.020 0.000 1.081 819 R CB 0.051 30.356 30.300 0.008 0.000 0.984 819 R HN 0.877 nan 8.270 nan 0.000 0.448 820 N N 0.559 119.269 118.700 0.017 0.000 2.972 820 N HA -0.190 4.550 4.740 -0.000 0.000 0.225 820 N C -1.289 174.234 175.510 0.021 0.000 0.883 820 N CA 1.732 54.792 53.050 0.018 0.000 1.010 820 N CB -0.786 37.713 38.487 0.020 0.000 1.052 820 N HN 0.740 nan 8.380 nan 0.000 0.598 821 E N 1.180 121.400 120.200 0.034 0.000 2.146 821 E HA 0.156 4.505 4.350 -0.000 0.000 0.282 821 E C 0.202 176.826 176.600 0.040 0.000 0.989 821 E CA -0.301 56.125 56.400 0.044 0.000 0.799 821 E CB 1.078 30.815 29.700 0.062 0.000 1.088 821 E HN 0.152 nan 8.360 nan 0.000 0.397 822 Q N 3.361 123.158 119.800 -0.005 0.000 2.271 822 Q HA 0.168 4.508 4.340 -0.000 0.000 0.273 822 Q C -0.495 175.519 176.000 0.024 0.000 1.051 822 Q CA -0.336 55.402 55.803 -0.109 0.000 0.901 822 Q CB 0.509 29.024 28.738 -0.371 0.000 1.174 822 Q HN 0.432 nan 8.270 nan 0.000 0.385 823 V N 0.686 120.644 119.914 0.074 0.000 3.158 823 V HA 0.672 4.791 4.120 -0.000 0.000 0.315 823 V C -0.968 175.261 176.094 0.225 0.000 1.148 823 V CA -1.002 61.434 62.300 0.228 0.000 1.042 823 V CB 1.958 33.868 31.823 0.144 0.000 1.101 823 V HN 0.869 nan 8.190 nan 0.000 0.448 824 E N 1.232 121.579 120.200 0.244 0.000 2.218 824 E HA 0.600 4.950 4.350 -0.000 0.000 0.263 824 E C -1.118 175.548 176.600 0.111 0.000 0.879 824 E CA -0.850 55.666 56.400 0.193 0.000 0.762 824 E CB 1.974 31.822 29.700 0.246 0.000 1.166 824 E HN 0.900 nan 8.360 nan 0.000 0.415 825 I N 1.032 121.660 120.570 0.096 0.000 2.498 825 I HA 0.625 4.795 4.170 -0.000 0.000 0.301 825 I C -0.561 175.622 176.117 0.110 0.000 0.984 825 I CA -1.040 60.305 61.300 0.075 0.000 1.204 825 I CB 1.462 39.480 38.000 0.029 0.000 1.362 825 I HN 0.246 nan 8.210 nan 0.000 0.471 826 R N 4.431 124.979 120.500 0.081 0.000 2.437 826 R HA 0.664 5.004 4.340 -0.000 0.000 0.310 826 R C -0.967 175.384 176.300 0.085 0.000 0.955 826 R CA -0.863 55.281 56.100 0.073 0.000 0.851 826 R CB 1.887 32.208 30.300 0.035 0.000 1.161 826 R HN 0.874 nan 8.270 nan 0.000 0.446 827 A N 3.278 126.164 122.820 0.110 0.000 2.273 827 A HA 0.418 4.738 4.320 -0.000 0.000 0.320 827 A C -0.196 177.400 177.584 0.019 0.000 1.358 827 A CA -0.650 51.450 52.037 0.105 0.000 0.910 827 A CB 0.743 19.877 19.000 0.223 0.000 1.159 827 A HN 0.404 nan 8.150 nan 0.000 0.526 828 V N 4.342 124.242 119.914 -0.024 0.000 2.368 828 V HA 0.174 4.294 4.120 -0.000 0.000 0.266 828 V C -0.422 175.522 176.094 -0.250 0.000 1.045 828 V CA -0.197 61.995 62.300 -0.180 0.000 0.899 828 V CB 0.568 32.241 31.823 -0.250 0.000 1.006 828 V HN 0.683 nan 8.190 nan 0.000 0.470 829 L N 6.893 127.963 121.223 -0.257 0.000 2.261 829 L HA 0.419 4.759 4.340 -0.000 0.000 0.289 829 L C -0.219 176.425 176.870 -0.375 0.000 1.059 829 L CA 0.142 54.845 54.840 -0.229 0.000 0.816 829 L CB -0.061 41.996 42.059 -0.004 0.000 1.191 829 L HN 0.449 nan 8.230 nan 0.000 0.431 830 Y N 2.111 122.107 120.300 -0.507 0.000 2.307 830 Y HA 0.388 4.938 4.550 -0.000 0.000 0.324 830 Y C 0.835 176.497 175.900 -0.397 0.000 1.238 830 Y CA -0.201 57.539 58.100 -0.600 0.000 1.280 830 Y CB 0.948 38.824 38.460 -0.973 0.000 1.248 830 Y HN 0.537 nan 8.280 nan 0.000 0.508 831 N N 1.586 120.151 118.700 -0.226 0.000 2.640 831 N HA 0.133 4.873 4.740 -0.000 0.000 0.262 831 N C -1.520 173.905 175.510 -0.141 0.000 1.174 831 N CA -0.535 52.487 53.050 -0.048 0.000 0.791 831 N CB -0.059 38.425 38.487 -0.004 0.000 1.279 831 N HN 0.513 nan 8.380 nan 0.000 0.535 832 Y N 0.940 121.317 120.300 0.127 0.000 2.495 832 Y HA 0.319 4.869 4.550 -0.000 0.000 0.293 832 Y C 0.632 176.591 175.900 0.097 0.000 1.186 832 Y CA -0.256 57.916 58.100 0.119 0.000 1.266 832 Y CB 0.164 38.712 38.460 0.145 0.000 1.101 832 Y HN 0.149 nan 8.280 nan 0.000 0.517 833 R N 1.053 121.654 120.500 0.169 0.000 2.404 833 R HA -0.042 4.298 4.340 -0.000 0.000 0.315 833 R C 1.317 177.669 176.300 0.087 0.000 1.032 833 R CA -0.079 56.088 56.100 0.111 0.000 0.992 833 R CB 0.637 30.968 30.300 0.052 0.000 0.959 833 R HN 0.272 nan 8.270 nan 0.000 0.428 834 Q N 2.689 122.544 119.800 0.092 0.000 2.062 834 Q HA -0.219 4.121 4.340 -0.000 0.000 0.209 834 Q C -0.058 175.973 176.000 0.052 0.000 0.996 834 Q CA 2.028 57.878 55.803 0.078 0.000 0.859 834 Q CB 0.094 28.873 28.738 0.070 0.000 0.920 834 Q HN 0.672 nan 8.270 nan 0.000 0.415 835 N N -0.192 118.531 118.700 0.040 0.000 2.752 835 N HA 0.221 4.961 4.740 -0.000 0.000 0.260 835 N C -1.705 173.815 175.510 0.017 0.000 1.562 835 N CA -0.365 52.700 53.050 0.026 0.000 0.788 835 N CB 0.853 39.355 38.487 0.025 0.000 1.192 835 N HN 0.221 nan 8.380 nan 0.000 0.503 836 Q N 0.705 120.508 119.800 0.006 0.000 2.507 836 Q HA 0.064 4.404 4.340 -0.000 0.000 0.242 836 Q C -1.497 174.487 176.000 -0.027 0.000 0.911 836 Q CA -0.417 55.382 55.803 -0.008 0.000 1.019 836 Q CB 1.640 30.369 28.738 -0.014 0.000 1.523 836 Q HN 0.580 nan 8.270 nan 0.000 0.459 837 E N 4.228 124.414 120.200 -0.024 0.000 2.374 837 E HA 0.475 4.825 4.350 -0.000 0.000 0.260 837 E C -0.859 175.710 176.600 -0.051 0.000 1.101 837 E CA -0.467 55.912 56.400 -0.035 0.000 0.907 837 E CB 1.075 30.759 29.700 -0.026 0.000 1.014 837 E HN 0.442 nan 8.360 nan 0.000 0.427 838 L N 1.719 122.900 121.223 -0.069 0.000 2.381 838 L HA 0.369 4.709 4.340 -0.000 0.000 0.274 838 L C -0.119 176.722 176.870 -0.049 0.000 0.988 838 L CA -0.928 53.851 54.840 -0.102 0.000 0.824 838 L CB 1.864 43.785 42.059 -0.231 0.000 1.263 838 L HN 0.614 nan 8.230 nan 0.000 0.410 839 K N 3.473 123.890 120.400 0.028 0.000 2.184 839 K HA 0.431 4.751 4.320 -0.000 0.000 0.259 839 K C -0.885 175.818 176.600 0.171 0.000 1.119 839 K CA -0.360 55.969 56.287 0.070 0.000 0.991 839 K CB 0.512 33.054 32.500 0.071 0.000 1.522 839 K HN 0.389 nan 8.250 nan 0.000 0.405 840 V N 2.988 122.945 119.914 0.073 0.000 2.837 840 V HA 0.425 4.545 4.120 -0.000 0.000 0.310 840 V C 0.082 176.277 176.094 0.167 0.000 1.059 840 V CA -0.897 61.447 62.300 0.072 0.000 1.004 840 V CB 1.559 33.386 31.823 0.006 0.000 1.045 840 V HN 0.641 nan 8.190 nan 0.000 0.465 841 R N 1.509 122.096 120.500 0.145 0.000 2.472 841 R HA 0.581 4.921 4.340 -0.000 0.000 0.294 841 R C -1.476 174.894 176.300 0.117 0.000 1.243 841 R CA -0.273 55.912 56.100 0.142 0.000 1.023 841 R CB 1.645 32.034 30.300 0.148 0.000 1.157 841 R HN 0.612 nan 8.270 nan 0.000 0.530 842 V N 3.175 123.168 119.914 0.132 0.000 2.567 842 V HA 0.440 4.560 4.120 -0.000 0.000 0.289 842 V C -0.579 175.621 176.094 0.177 0.000 1.049 842 V CA -0.055 62.344 62.300 0.165 0.000 0.969 842 V CB 1.637 33.577 31.823 0.194 0.000 0.995 842 V HN 0.868 nan 8.190 nan 0.000 0.471 843 E N 4.495 124.796 120.200 0.168 0.000 2.340 843 E HA 0.474 4.824 4.350 -0.000 0.000 0.273 843 E C -1.991 174.657 176.600 0.080 0.000 0.891 843 E CA -0.984 55.511 56.400 0.157 0.000 0.757 843 E CB 2.080 31.841 29.700 0.101 0.000 1.231 843 E HN 0.659 nan 8.360 nan 0.000 0.439 844 L N 4.709 125.952 121.223 0.033 0.000 2.272 844 L HA 0.378 4.718 4.340 -0.000 0.000 0.289 844 L C -1.431 175.403 176.870 -0.060 0.000 1.032 844 L CA -0.465 54.245 54.840 -0.216 0.000 0.810 844 L CB 0.866 42.550 42.059 -0.626 0.000 1.205 844 L HN 0.553 nan 8.230 nan 0.000 0.422 845 L N 4.514 125.700 121.223 -0.062 0.000 2.452 845 L HA 0.251 4.591 4.340 -0.000 0.000 0.267 845 L C 0.159 177.051 176.870 0.037 0.000 1.188 845 L CA 0.187 55.037 54.840 0.017 0.000 0.821 845 L CB 0.138 42.209 42.059 0.020 0.000 1.102 845 L HN 0.675 nan 8.230 nan 0.000 0.470 846 H N 2.428 121.507 119.070 0.015 0.000 2.707 846 H HA 0.359 4.915 4.556 -0.000 0.000 0.359 846 H C -0.453 174.912 175.328 0.063 0.000 1.113 846 H CA 0.150 56.220 56.048 0.036 0.000 1.422 846 H CB 0.543 30.332 29.762 0.045 0.000 1.443 846 H HN 0.563 nan 8.280 nan 0.000 0.591 847 N N 4.374 122.731 118.700 -0.571 0.000 2.542 847 N HA 0.173 4.913 4.740 -0.000 0.000 0.288 847 N C -2.444 172.862 175.510 -0.340 0.000 1.115 847 N CA -1.962 50.946 53.050 -0.238 0.000 0.924 847 N CB 1.870 40.437 38.487 0.133 0.000 1.526 847 N HN 0.357 nan 8.380 nan 0.000 0.515 848 P HA -0.044 nan 4.420 nan 0.000 0.218 848 P C 0.666 177.910 177.300 -0.094 0.000 1.146 848 P CA 1.087 64.158 63.100 -0.048 0.000 0.813 848 P CB 0.297 32.032 31.700 0.058 0.000 0.778 849 A N -2.849 119.868 122.820 -0.171 0.000 2.238 849 A HA 0.134 4.454 4.320 -0.000 0.000 0.208 849 A C 0.465 177.676 177.584 -0.621 0.000 1.177 849 A CA 0.591 52.406 52.037 -0.371 0.000 0.804 849 A CB -0.743 17.977 19.000 -0.467 0.000 0.823 849 A HN 0.062 nan 8.150 nan 0.000 0.482 850 F N -3.146 116.739 119.950 -0.110 0.000 2.631 850 F HA 0.537 5.064 4.527 -0.000 0.000 0.328 850 F C -0.015 175.718 175.800 -0.112 0.000 1.067 850 F CA -1.339 56.597 58.000 -0.107 0.000 0.969 850 F CB 1.468 40.393 39.000 -0.125 0.000 1.332 850 F HN -0.164 nan 8.300 nan 0.000 0.490 851 c N 2.668 121.350 118.600 0.137 0.000 2.437 851 c HA 0.752 5.322 4.570 -0.000 0.000 0.307 851 c C -0.382 173.709 174.090 0.002 0.000 1.093 851 c CA -0.325 56.030 56.329 0.043 0.000 1.463 851 c CB -1.459 41.064 42.510 0.023 0.000 1.926 851 c HN 0.796 nan 8.230 nan 0.000 0.420 852 S N 4.447 120.133 115.700 -0.022 0.000 2.751 852 S HA 0.597 5.067 4.470 -0.000 0.000 0.310 852 S C 0.546 175.108 174.600 -0.064 0.000 1.128 852 S CA -0.811 57.336 58.200 -0.088 0.000 0.931 852 S CB 0.937 64.046 63.200 -0.152 0.000 1.177 852 S HN 0.609 nan 8.310 nan 0.000 0.530 853 L N 0.469 121.607 121.223 -0.142 0.000 2.622 853 L HA 0.217 4.557 4.340 -0.000 0.000 0.233 853 L C 1.103 178.029 176.870 0.093 0.000 1.156 853 L CA 0.340 55.172 54.840 -0.013 0.000 0.866 853 L CB -0.916 41.184 42.059 0.069 0.000 0.980 853 L HN 0.760 nan 8.230 nan 0.000 0.448 854 A N 0.414 123.277 122.820 0.073 0.000 2.252 854 A HA 0.523 4.843 4.320 -0.000 0.000 0.309 854 A C 0.488 178.235 177.584 0.272 0.000 1.285 854 A CA -0.356 51.790 52.037 0.182 0.000 0.900 854 A CB 0.228 19.329 19.000 0.170 0.000 1.157 854 A HN 0.254 nan 8.150 nan 0.000 0.536 855 T N -1.260 113.412 114.554 0.196 0.000 2.889 855 T HA 0.483 4.833 4.350 -0.000 0.000 0.278 855 T C 1.327 175.905 174.700 -0.204 0.000 0.995 855 T CA 0.301 62.466 62.100 0.109 0.000 0.966 855 T CB 0.602 69.493 68.868 0.038 0.000 1.237 855 T HN 0.832 nan 8.240 nan 0.000 0.591 856 T N -1.860 112.402 114.554 -0.488 0.000 3.035 856 T HA 0.093 4.443 4.350 -0.000 0.000 0.268 856 T C 1.206 175.811 174.700 -0.158 0.000 1.109 856 T CA 0.574 62.409 62.100 -0.443 0.000 1.119 856 T CB -0.329 68.323 68.868 -0.361 0.000 0.900 856 T HN 0.687 nan 8.240 nan 0.000 0.503 857 K N -0.259 120.087 120.400 -0.089 0.000 2.438 857 K HA 0.313 4.633 4.320 -0.000 0.000 0.206 857 K C 0.577 177.176 176.600 -0.002 0.000 1.081 857 K CA -0.333 55.935 56.287 -0.031 0.000 1.053 857 K CB 1.000 33.489 32.500 -0.018 0.000 0.908 857 K HN 0.169 nan 8.250 nan 0.000 0.556 858 R N 1.261 121.768 120.500 0.011 0.000 2.686 858 R HA 0.349 4.689 4.340 -0.000 0.000 0.286 858 R C -1.149 175.198 176.300 0.078 0.000 0.969 858 R CA -0.634 55.493 56.100 0.046 0.000 0.898 858 R CB 1.405 31.740 30.300 0.058 0.000 1.183 858 R HN -0.061 nan 8.270 nan 0.000 0.456 859 R N 2.605 123.156 120.500 0.085 0.000 2.246 859 R HA 0.150 4.490 4.340 -0.000 0.000 0.332 859 R C -0.478 175.908 176.300 0.143 0.000 0.974 859 R CA -0.610 55.555 56.100 0.109 0.000 0.837 859 R CB 0.987 31.334 30.300 0.077 0.000 1.145 859 R HN 0.495 nan 8.270 nan 0.000 0.467 860 H N 5.454 124.584 119.070 0.099 0.000 3.205 860 H HA 0.028 4.584 4.556 -0.000 0.000 0.262 860 H C -0.866 174.560 175.328 0.163 0.000 1.333 860 H CA 0.230 56.356 56.048 0.131 0.000 1.499 860 H CB 0.456 30.309 29.762 0.153 0.000 1.609 860 H HN 0.606 nan 8.280 nan 0.000 0.498 861 Q N 3.809 123.554 119.800 -0.092 0.000 2.285 861 Q HA 0.363 4.703 4.340 -0.000 0.000 0.269 861 Q C -1.354 174.599 176.000 -0.078 0.000 1.030 861 Q CA -1.201 54.592 55.803 -0.017 0.000 0.788 861 Q CB 2.152 30.922 28.738 0.052 0.000 1.266 861 Q HN 0.384 nan 8.270 nan 0.000 0.438 862 Q N 0.787 120.551 119.800 -0.060 0.000 2.195 862 Q HA 0.621 4.961 4.340 -0.000 0.000 0.250 862 Q C -0.864 175.122 176.000 -0.024 0.000 0.988 862 Q CA -0.310 55.446 55.803 -0.078 0.000 0.911 862 Q CB 2.138 30.808 28.738 -0.112 0.000 1.258 862 Q HN 0.672 nan 8.270 nan 0.000 0.475 863 T N 0.797 115.306 114.554 -0.074 0.000 2.890 863 T HA 0.604 4.954 4.350 -0.000 0.000 0.295 863 T C -0.955 173.685 174.700 -0.101 0.000 0.993 863 T CA -0.690 61.388 62.100 -0.036 0.000 0.979 863 T CB 0.538 69.392 68.868 -0.024 0.000 0.967 863 T HN 0.456 nan 8.240 nan 0.000 0.441 864 V N 0.645 120.535 119.914 -0.041 0.000 3.074 864 V HA 0.895 5.015 4.120 -0.000 0.000 0.314 864 V C -0.422 175.651 176.094 -0.035 0.000 1.117 864 V CA -0.946 61.321 62.300 -0.054 0.000 1.014 864 V CB 2.162 33.962 31.823 -0.038 0.000 1.057 864 V HN 0.692 nan 8.190 nan 0.000 0.438 865 T N 3.442 117.968 114.554 -0.046 0.000 2.791 865 T HA 0.636 4.986 4.350 -0.000 0.000 0.288 865 T C -0.240 174.433 174.700 -0.045 0.000 0.999 865 T CA 0.002 62.077 62.100 -0.042 0.000 0.952 865 T CB 0.581 69.422 68.868 -0.046 0.000 0.938 865 T HN 0.614 nan 8.240 nan 0.000 0.444 866 I N 5.600 126.144 120.570 -0.043 0.000 2.297 866 I HA 0.286 4.456 4.170 -0.000 0.000 0.291 866 I C -2.207 173.879 176.117 -0.051 0.000 1.033 866 I CA -2.557 58.714 61.300 -0.047 0.000 1.253 866 I CB 0.990 38.973 38.000 -0.028 0.000 1.396 866 I HN 0.254 nan 8.210 nan 0.000 0.476 867 P HA 0.089 nan 4.420 nan 0.000 0.270 867 P C -2.460 174.815 177.300 -0.041 0.000 1.227 867 P CA -0.874 62.197 63.100 -0.048 0.000 0.788 867 P CB -0.257 31.408 31.700 -0.057 0.000 0.926 868 P HA 0.024 nan 4.420 nan 0.000 0.269 868 P C -0.315 176.980 177.300 -0.008 0.000 1.209 868 P CA 0.237 63.330 63.100 -0.012 0.000 0.776 868 P CB 0.052 31.753 31.700 0.002 0.000 0.876 869 K N -0.757 119.641 120.400 -0.002 0.000 3.012 869 K HA -0.144 4.176 4.320 -0.000 0.000 0.259 869 K C 0.035 176.612 176.600 -0.038 0.000 0.989 869 K CA 0.856 57.145 56.287 0.003 0.000 0.728 869 K CB -1.940 30.600 32.500 0.066 0.000 1.260 869 K HN 0.744 nan 8.250 nan 0.000 0.480 870 S N -1.841 113.800 115.700 -0.099 0.000 2.705 870 S HA 0.754 5.224 4.470 -0.000 0.000 0.280 870 S C -0.484 174.017 174.600 -0.165 0.000 1.174 870 S CA -0.331 57.825 58.200 -0.073 0.000 0.823 870 S CB 2.456 65.652 63.200 -0.007 0.000 1.162 870 S HN 0.314 nan 8.310 nan 0.000 0.487 871 S N -0.076 115.533 115.700 -0.152 0.000 2.667 871 S HA 0.881 5.351 4.470 -0.000 0.000 0.292 871 S C -1.420 173.055 174.600 -0.209 0.000 1.126 871 S CA -0.778 57.244 58.200 -0.296 0.000 0.881 871 S CB 1.385 64.225 63.200 -0.599 0.000 1.132 871 S HN 1.407 nan 8.310 nan 0.000 0.492 872 L N 0.809 121.885 121.223 -0.245 0.000 2.455 872 L HA 0.762 5.102 4.340 -0.000 0.000 0.264 872 L C -0.677 176.096 176.870 -0.162 0.000 0.968 872 L CA -0.162 54.586 54.840 -0.153 0.000 0.827 872 L CB 2.181 44.182 42.059 -0.097 0.000 1.317 872 L HN 0.902 nan 8.230 nan 0.000 0.407 873 S N 3.174 118.806 115.700 -0.114 0.000 2.462 873 S HA 0.778 5.248 4.470 -0.000 0.000 0.294 873 S C -1.008 173.549 174.600 -0.071 0.000 1.144 873 S CA -0.459 57.687 58.200 -0.091 0.000 1.088 873 S CB 0.856 64.016 63.200 -0.066 0.000 1.009 873 S HN 0.479 nan 8.310 nan 0.000 0.484 874 V N 8.137 128.010 119.914 -0.068 0.000 2.334 874 V HA 0.408 4.528 4.120 -0.000 0.000 0.281 874 V C -2.330 173.643 176.094 -0.202 0.000 1.016 874 V CA -1.977 60.243 62.300 -0.134 0.000 0.832 874 V CB 1.238 32.986 31.823 -0.124 0.000 0.999 874 V HN 0.720 nan 8.190 nan 0.000 0.439 875 P HA 0.329 nan 4.420 nan 0.000 0.276 875 P C -1.365 175.747 177.300 -0.312 0.000 1.230 875 P CA -0.046 62.965 63.100 -0.147 0.000 0.776 875 P CB 0.284 31.945 31.700 -0.065 0.000 0.888 876 Y N 0.839 121.166 120.300 0.045 0.000 2.354 876 Y HA 0.339 4.889 4.550 -0.000 0.000 0.330 876 Y C -0.078 175.810 175.900 -0.020 0.000 1.011 876 Y CA -1.041 57.065 58.100 0.010 0.000 1.099 876 Y CB 1.723 40.170 38.460 -0.021 0.000 1.179 876 Y HN 0.130 nan 8.280 nan 0.000 0.442 877 V N 4.321 124.297 119.914 0.104 0.000 2.394 877 V HA 0.845 4.965 4.120 -0.000 0.000 0.282 877 V C -0.257 175.805 176.094 -0.053 0.000 1.031 877 V CA -0.616 61.694 62.300 0.016 0.000 0.881 877 V CB 0.838 32.628 31.823 -0.055 0.000 0.982 877 V HN 0.684 nan 8.190 nan 0.000 0.451 878 I N 2.205 122.743 120.570 -0.053 0.000 3.095 878 I HA 0.914 5.084 4.170 -0.000 0.000 0.310 878 I C -1.269 174.858 176.117 0.017 0.000 1.196 878 I CA -1.257 60.019 61.300 -0.039 0.000 0.985 878 I CB 2.608 40.544 38.000 -0.106 0.000 1.250 878 I HN 0.377 nan 8.210 nan 0.000 0.446 879 V N 2.267 122.237 119.914 0.092 0.000 2.488 879 V HA 0.392 4.512 4.120 -0.000 0.000 0.293 879 V C -2.525 173.654 176.094 0.142 0.000 1.027 879 V CA -1.515 60.836 62.300 0.084 0.000 0.862 879 V CB 1.509 33.335 31.823 0.005 0.000 1.008 879 V HN 0.621 nan 8.190 nan 0.000 0.428 880 P HA 0.162 nan 4.420 nan 0.000 0.261 880 P C 0.665 177.912 177.300 -0.088 0.000 1.203 880 P CA 0.435 63.513 63.100 -0.036 0.000 0.767 880 P CB 0.594 32.301 31.700 0.012 0.000 0.785 881 L N 3.087 124.206 121.223 -0.173 0.000 2.354 881 L HA 0.122 4.462 4.340 -0.000 0.000 0.212 881 L C 1.151 177.964 176.870 -0.095 0.000 1.091 881 L CA 0.828 55.611 54.840 -0.095 0.000 0.828 881 L CB -0.319 41.695 42.059 -0.075 0.000 0.973 881 L HN 0.375 nan 8.230 nan 0.000 0.461 882 K N -0.728 119.577 120.400 -0.159 0.000 2.482 882 K HA 0.482 4.802 4.320 -0.000 0.000 0.257 882 K C -0.227 176.297 176.600 -0.126 0.000 0.969 882 K CA -0.741 55.475 56.287 -0.119 0.000 0.842 882 K CB 1.544 33.977 32.500 -0.112 0.000 1.359 882 K HN -0.131 nan 8.250 nan 0.000 0.441 883 T N -1.373 113.134 114.554 -0.078 0.000 2.715 883 T HA 0.576 4.926 4.350 -0.000 0.000 0.320 883 T C 0.822 175.482 174.700 -0.067 0.000 1.046 883 T CA 0.200 62.265 62.100 -0.058 0.000 0.983 883 T CB 0.099 68.948 68.868 -0.032 0.000 1.183 883 T HN 1.333 nan 8.240 nan 0.000 0.522 884 G N -0.510 108.264 108.800 -0.043 0.000 2.795 884 G HA2 0.030 3.990 3.960 -0.000 0.000 0.664 884 G HA3 0.030 3.990 3.960 -0.000 0.000 0.664 884 G C -0.762 174.112 174.900 -0.043 0.000 1.381 884 G CA -0.401 44.674 45.100 -0.041 0.000 0.853 884 G HN 1.240 nan 8.290 nan 0.000 0.545 885 L N 1.028 122.231 121.223 -0.034 0.000 2.456 885 L HA 0.487 4.827 4.340 -0.000 0.000 0.277 885 L C 0.623 177.486 176.870 -0.012 0.000 1.124 885 L CA 0.116 54.942 54.840 -0.024 0.000 0.880 885 L CB 0.611 42.657 42.059 -0.023 0.000 1.192 885 L HN 0.635 nan 8.230 nan 0.000 0.463 886 Q N 3.596 123.406 119.800 0.016 0.000 2.240 886 Q HA 0.405 4.745 4.340 -0.000 0.000 0.260 886 Q C -0.902 175.193 176.000 0.159 0.000 1.018 886 Q CA -0.551 55.283 55.803 0.052 0.000 0.898 886 Q CB 1.839 30.538 28.738 -0.065 0.000 1.301 886 Q HN 0.661 nan 8.270 nan 0.000 0.469 887 E N 0.430 120.754 120.200 0.207 0.000 2.171 887 E HA 0.509 4.859 4.350 -0.000 0.000 0.271 887 E C -1.405 175.294 176.600 0.164 0.000 0.916 887 E CA -0.537 55.957 56.400 0.156 0.000 0.774 887 E CB 1.467 31.224 29.700 0.095 0.000 1.128 887 E HN 0.221 nan 8.360 nan 0.000 0.403 888 V N 4.011 123.945 119.914 0.033 0.000 2.604 888 V HA 0.425 4.545 4.120 -0.000 0.000 0.305 888 V C -0.631 175.426 176.094 -0.062 0.000 1.043 888 V CA -0.654 61.581 62.300 -0.109 0.000 0.888 888 V CB 1.760 33.444 31.823 -0.231 0.000 0.995 888 V HN 0.775 nan 8.190 nan 0.000 0.429 889 E N 3.085 123.233 120.200 -0.086 0.000 2.278 889 E HA 0.657 5.007 4.350 -0.000 0.000 0.272 889 E C -1.640 174.915 176.600 -0.076 0.000 0.890 889 E CA -0.563 55.813 56.400 -0.040 0.000 0.770 889 E CB 2.297 31.998 29.700 0.000 0.000 1.212 889 E HN 0.613 nan 8.360 nan 0.000 0.415 890 V N 1.128 121.013 119.914 -0.049 0.000 2.531 890 V HA 0.659 4.779 4.120 -0.000 0.000 0.301 890 V C -0.670 175.440 176.094 0.027 0.000 1.034 890 V CA -0.867 61.405 62.300 -0.047 0.000 0.865 890 V CB 1.463 33.248 31.823 -0.064 0.000 0.995 890 V HN 0.549 nan 8.190 nan 0.000 0.424 891 K N 2.947 123.374 120.400 0.046 0.000 2.221 891 K HA 0.974 5.294 4.320 -0.000 0.000 0.243 891 K C -0.580 176.086 176.600 0.110 0.000 0.968 891 K CA -0.575 55.757 56.287 0.075 0.000 0.846 891 K CB 2.448 34.985 32.500 0.061 0.000 1.141 891 K HN 1.160 nan 8.250 nan 0.000 0.434 892 A N 0.642 123.549 122.820 0.144 0.000 2.589 892 A HA 0.774 5.094 4.320 -0.000 0.000 0.296 892 A C -1.872 175.848 177.584 0.226 0.000 1.062 892 A CA -0.642 51.514 52.037 0.199 0.000 0.686 892 A CB 1.817 20.991 19.000 0.289 0.000 1.282 892 A HN 0.681 nan 8.150 nan 0.000 0.404 893 A N 0.681 123.581 122.820 0.132 0.000 2.486 893 A HA 0.792 5.112 4.320 -0.000 0.000 0.300 893 A C -0.245 177.302 177.584 -0.061 0.000 1.048 893 A CA -0.029 52.040 52.037 0.053 0.000 0.696 893 A CB 1.166 20.157 19.000 -0.015 0.000 1.278 893 A HN 2.290 nan 8.150 nan 0.000 0.405 894 V N -0.163 119.688 119.914 -0.105 0.000 2.644 894 V HA 0.676 4.796 4.120 -0.000 0.000 0.295 894 V C -0.468 175.606 176.094 -0.033 0.000 1.053 894 V CA -0.738 61.503 62.300 -0.099 0.000 0.987 894 V CB 0.438 32.135 31.823 -0.209 0.000 1.006 894 V HN 0.682 nan 8.190 nan 0.000 0.472 895 Y N 2.950 123.233 120.300 -0.029 0.000 2.336 895 Y HA 0.366 4.916 4.550 -0.000 0.000 0.331 895 Y C 1.252 177.130 175.900 -0.038 0.000 1.211 895 Y CA 1.212 59.214 58.100 -0.164 0.000 1.346 895 Y CB 0.157 38.440 38.460 -0.296 0.000 1.271 895 Y HN 1.036 nan 8.280 nan 0.000 0.538 896 H N -1.158 117.994 119.070 0.137 0.000 3.047 896 H HA -0.222 4.334 4.556 -0.000 0.000 0.263 896 H C -1.002 174.108 175.328 -0.362 0.000 1.168 896 H CA 1.113 57.112 56.048 -0.081 0.000 1.152 896 H CB -2.042 27.658 29.762 -0.103 0.000 1.278 896 H HN 0.700 nan 8.280 nan 0.000 0.339 897 H N -2.083 117.039 119.070 0.086 0.000 3.016 897 H HA 0.316 4.872 4.556 -0.000 0.000 0.362 897 H C -0.625 174.821 175.328 0.197 0.000 1.233 897 H CA -0.915 55.183 56.048 0.083 0.000 1.124 897 H CB 0.614 30.420 29.762 0.072 0.000 1.850 897 H HN -0.012 nan 8.280 nan 0.000 0.549 898 F N 2.212 122.255 119.950 0.155 0.000 2.954 898 F HA 0.226 4.753 4.527 -0.000 0.000 0.300 898 F C -0.585 175.278 175.800 0.105 0.000 1.206 898 F CA -0.292 57.766 58.000 0.096 0.000 1.345 898 F CB -0.731 38.317 39.000 0.080 0.000 1.206 898 F HN 0.255 nan 8.300 nan 0.000 0.537 899 I N 0.145 120.875 120.570 0.267 0.000 2.509 899 I HA 0.448 4.618 4.170 -0.000 0.000 0.293 899 I C 0.104 176.324 176.117 0.173 0.000 1.020 899 I CA -0.550 60.865 61.300 0.192 0.000 1.088 899 I CB 1.593 39.668 38.000 0.124 0.000 1.267 899 I HN 0.141 nan 8.210 nan 0.000 0.430 900 S N 3.671 119.518 115.700 0.245 0.000 2.615 900 S HA 0.766 5.236 4.470 -0.000 0.000 0.268 900 S C -1.724 173.045 174.600 0.281 0.000 1.146 900 S CA -0.763 57.602 58.200 0.274 0.000 0.818 900 S CB 3.074 66.356 63.200 0.137 0.000 1.111 900 S HN 0.599 nan 8.310 nan 0.000 0.465 901 D N -1.497 119.045 120.400 0.237 0.000 2.648 901 D HA 0.670 5.310 4.640 -0.000 0.000 0.244 901 D C -0.799 175.566 176.300 0.108 0.000 1.244 901 D CA 0.320 54.404 54.000 0.138 0.000 0.772 901 D CB 1.731 42.566 40.800 0.057 0.000 1.379 901 D HN 1.112 nan 8.370 nan 0.000 0.428 902 G N 0.128 108.986 108.800 0.097 0.000 2.746 902 G HA2 0.569 4.529 3.960 -0.000 0.000 0.297 902 G HA3 0.569 4.529 3.960 -0.000 0.000 0.297 902 G C -1.594 173.379 174.900 0.122 0.000 1.426 902 G CA -0.495 44.660 45.100 0.091 0.000 0.989 902 G HN 0.391 nan 8.290 nan 0.000 0.520 903 V N 1.379 121.363 119.914 0.117 0.000 2.604 903 V HA 0.675 4.795 4.120 -0.000 0.000 0.305 903 V C 0.011 176.191 176.094 0.143 0.000 1.043 903 V CA -0.907 61.498 62.300 0.174 0.000 0.888 903 V CB 1.968 33.849 31.823 0.097 0.000 0.995 903 V HN 0.757 nan 8.190 nan 0.000 0.429 904 R N 3.575 124.213 120.500 0.229 0.000 2.472 904 R HA 0.489 4.829 4.340 -0.000 0.000 0.294 904 R C -0.835 175.588 176.300 0.206 0.000 1.243 904 R CA -0.460 55.731 56.100 0.152 0.000 1.023 904 R CB 0.958 31.316 30.300 0.097 0.000 1.157 904 R HN 0.725 nan 8.270 nan 0.000 0.530 905 K N 1.061 121.538 120.400 0.129 0.000 2.295 905 K HA 0.505 4.825 4.320 -0.000 0.000 0.239 905 K C -0.761 175.881 176.600 0.070 0.000 0.991 905 K CA -0.891 55.467 56.287 0.118 0.000 0.845 905 K CB 2.312 34.840 32.500 0.047 0.000 1.197 905 K HN 0.285 nan 8.250 nan 0.000 0.441 906 S N 1.854 117.592 115.700 0.065 0.000 2.519 906 S HA 0.444 4.914 4.470 -0.000 0.000 0.309 906 S C -0.703 173.909 174.600 0.021 0.000 1.100 906 S CA -0.957 57.273 58.200 0.050 0.000 1.059 906 S CB 0.617 63.843 63.200 0.043 0.000 1.008 906 S HN 0.512 nan 8.310 nan 0.000 0.478 907 L N 0.604 121.849 121.223 0.036 0.000 2.334 907 L HA 0.710 5.050 4.340 -0.000 0.000 0.276 907 L C -0.670 176.192 176.870 -0.013 0.000 1.014 907 L CA -1.016 53.823 54.840 -0.002 0.000 0.815 907 L CB 1.089 43.167 42.059 0.032 0.000 1.268 907 L HN 0.330 nan 8.230 nan 0.000 0.428 908 K N 2.251 122.589 120.400 -0.103 0.000 2.270 908 K HA 0.433 4.753 4.320 -0.000 0.000 0.276 908 K C -0.897 175.686 176.600 -0.028 0.000 1.023 908 K CA -0.590 55.640 56.287 -0.095 0.000 0.955 908 K CB 1.878 34.257 32.500 -0.201 0.000 0.975 908 K HN 0.478 nan 8.250 nan 0.000 0.471 909 V N 4.000 123.907 119.914 -0.012 0.000 2.275 909 V HA 0.107 4.227 4.120 -0.000 0.000 0.272 909 V C -0.244 175.865 176.094 0.024 0.000 1.028 909 V CA -0.880 61.424 62.300 0.007 0.000 0.810 909 V CB 1.179 32.984 31.823 -0.029 0.000 1.043 909 V HN 0.476 nan 8.190 nan 0.000 0.453 910 V N 7.948 127.893 119.914 0.052 0.000 2.530 910 V HA 0.266 4.386 4.120 -0.000 0.000 0.282 910 V C -1.904 174.255 176.094 0.107 0.000 1.048 910 V CA -1.669 60.690 62.300 0.098 0.000 0.997 910 V CB 1.434 33.313 31.823 0.094 0.000 0.987 910 V HN 0.651 nan 8.190 nan 0.000 0.477 911 P HA 0.033 nan 4.420 nan 0.000 0.267 911 P C -0.210 177.178 177.300 0.146 0.000 1.201 911 P CA -0.067 63.133 63.100 0.166 0.000 0.775 911 P CB 0.493 32.332 31.700 0.233 0.000 0.854 912 E N 0.701 120.957 120.200 0.094 0.000 2.338 912 E HA 0.408 4.758 4.350 -0.000 0.000 0.272 912 E C 0.605 177.237 176.600 0.053 0.000 1.029 912 E CA 0.208 56.641 56.400 0.056 0.000 0.872 912 E CB -0.040 29.686 29.700 0.042 0.000 1.015 912 E HN 0.640 nan 8.360 nan 0.000 0.417 913 G N 3.623 112.424 108.800 0.001 0.000 2.286 913 G HA2 0.010 3.970 3.960 -0.000 0.000 0.118 913 G HA3 0.010 3.970 3.960 -0.000 0.000 0.118 913 G C -1.255 173.584 174.900 -0.101 0.000 1.267 913 G CA -0.295 44.788 45.100 -0.028 0.000 1.171 913 G HN 0.693 nan 8.290 nan 0.000 0.465 914 I N 0.051 120.517 120.570 -0.173 0.000 2.743 914 I HA 0.528 4.698 4.170 -0.000 0.000 0.292 914 I C -0.774 175.153 176.117 -0.316 0.000 1.343 914 I CA -1.056 60.115 61.300 -0.213 0.000 1.038 914 I CB 1.855 39.774 38.000 -0.136 0.000 1.311 914 I HN 0.480 nan 8.210 nan 0.000 0.426 915 R N 7.612 127.927 120.500 -0.308 0.000 2.399 915 R HA 0.372 4.712 4.340 -0.000 0.000 0.324 915 R C -0.581 175.594 176.300 -0.208 0.000 1.030 915 R CA 0.079 56.016 56.100 -0.272 0.000 0.984 915 R CB 0.213 30.404 30.300 -0.181 0.000 0.961 915 R HN 0.560 nan 8.270 nan 0.000 0.433 916 M N 2.047 121.477 119.600 -0.284 0.000 2.821 916 M HA 0.377 4.857 4.480 -0.000 0.000 0.304 916 M C -0.001 176.253 176.300 -0.076 0.000 1.233 916 M CA -0.856 54.305 55.300 -0.232 0.000 0.851 916 M CB 1.994 34.355 32.600 -0.399 0.000 1.723 916 M HN 0.450 nan 8.290 nan 0.000 0.493 917 N N 0.543 119.274 118.700 0.050 0.000 2.812 917 N HA 0.244 4.984 4.740 -0.000 0.000 0.262 917 N C -1.859 173.734 175.510 0.138 0.000 1.241 917 N CA -0.569 52.559 53.050 0.130 0.000 0.854 917 N CB 0.895 39.425 38.487 0.072 0.000 1.506 917 N HN 0.496 nan 8.380 nan 0.000 0.576 918 K N 0.919 121.432 120.400 0.187 0.000 2.227 918 K HA 0.312 4.632 4.320 -0.000 0.000 0.280 918 K C -0.224 176.424 176.600 0.079 0.000 1.041 918 K CA -0.327 56.033 56.287 0.121 0.000 0.905 918 K CB 1.150 33.716 32.500 0.111 0.000 1.068 918 K HN 0.361 nan 8.250 nan 0.000 0.470 919 T N 3.081 117.669 114.554 0.057 0.000 2.776 919 T HA 0.023 4.373 4.350 -0.000 0.000 0.292 919 T C 1.719 176.439 174.700 0.033 0.000 0.921 919 T CA -0.358 61.768 62.100 0.044 0.000 1.038 919 T CB 0.423 69.311 68.868 0.033 0.000 0.910 919 T HN 0.293 nan 8.240 nan 0.000 0.536 920 V N 2.477 122.412 119.914 0.036 0.000 2.233 920 V HA 0.027 4.147 4.120 -0.000 0.000 0.247 920 V C 1.263 177.359 176.094 0.004 0.000 1.050 920 V CA 1.942 64.254 62.300 0.019 0.000 1.010 920 V CB -0.612 31.229 31.823 0.030 0.000 0.637 920 V HN 1.009 nan 8.190 nan 0.000 0.444 921 A N -1.288 121.538 122.820 0.009 0.000 2.601 921 A HA 0.655 4.975 4.320 -0.000 0.000 0.291 921 A C -1.250 176.339 177.584 0.009 0.000 1.075 921 A CA 0.176 52.211 52.037 -0.003 0.000 0.671 921 A CB 1.868 20.850 19.000 -0.029 0.000 1.277 921 A HN 0.870 nan 8.150 nan 0.000 0.417 922 V N -0.369 119.548 119.914 0.004 0.000 2.538 922 V HA 0.614 4.734 4.120 -0.000 0.000 0.265 922 V C -0.490 175.607 176.094 0.004 0.000 0.977 922 V CA -1.014 61.291 62.300 0.009 0.000 0.852 922 V CB 0.528 32.357 31.823 0.010 0.000 1.058 922 V HN 0.789 nan 8.190 nan 0.000 0.462 923 R N 1.488 121.989 120.500 0.003 0.000 2.543 923 R HA 0.700 5.040 4.340 -0.000 0.000 0.268 923 R C 0.069 176.373 176.300 0.006 0.000 1.067 923 R CA -0.461 55.639 56.100 -0.000 0.000 1.142 923 R CB 0.973 31.269 30.300 -0.007 0.000 1.110 923 R HN 0.665 nan 8.270 nan 0.000 0.549 924 T N 2.163 116.721 114.554 0.006 0.000 2.770 924 T HA 0.432 4.782 4.350 -0.000 0.000 0.283 924 T C 0.161 174.868 174.700 0.011 0.000 0.988 924 T CA -0.613 61.492 62.100 0.010 0.000 0.957 924 T CB 0.759 69.633 68.868 0.011 0.000 0.930 924 T HN 0.182 nan 8.240 nan 0.000 0.443 925 L N 4.838 126.069 121.223 0.013 0.000 2.281 925 L HA 0.511 4.851 4.340 -0.000 0.000 0.285 925 L C -0.285 176.595 176.870 0.018 0.000 1.074 925 L CA -0.456 54.393 54.840 0.015 0.000 0.817 925 L CB 0.390 42.458 42.059 0.015 0.000 1.168 925 L HN 0.770 nan 8.230 nan 0.000 0.434 926 D N 2.412 122.823 120.400 0.018 0.000 3.198 926 D HA 0.157 4.797 4.640 -0.000 0.000 0.237 926 D C -2.840 173.472 176.300 0.020 0.000 1.468 926 D CA -1.159 52.854 54.000 0.021 0.000 0.948 926 D CB 0.345 41.159 40.800 0.023 0.000 1.479 926 D HN 0.084 nan 8.370 nan 0.000 0.611 927 P HA 0.061 nan 4.420 nan 0.000 0.267 927 P C 0.604 177.916 177.300 0.020 0.000 1.201 927 P CA 0.626 63.737 63.100 0.018 0.000 0.775 927 P CB 0.666 32.377 31.700 0.018 0.000 0.854 928 E N -1.142 119.069 120.200 0.019 0.000 4.046 928 E HA -0.314 4.036 4.350 -0.000 0.000 0.164 928 E C 1.599 178.212 176.600 0.021 0.000 1.057 928 E CA 1.121 57.533 56.400 0.021 0.000 2.636 928 E CB -1.391 28.323 29.700 0.024 0.000 1.615 928 E HN 0.466 nan 8.360 nan 0.000 0.566 929 R N 1.355 121.868 120.500 0.022 0.000 2.066 929 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 929 R C 1.889 178.200 176.300 0.017 0.000 1.131 929 R CA 1.907 58.019 56.100 0.021 0.000 0.955 929 R CB 0.056 30.370 30.300 0.023 0.000 0.851 929 R HN 0.323 nan 8.270 nan 0.000 0.432 930 L N -0.011 121.221 121.223 0.015 0.000 3.122 930 L HA 0.378 4.718 4.340 -0.000 0.000 0.274 930 L C 0.763 177.639 176.870 0.011 0.000 1.222 930 L CA -0.441 54.406 54.840 0.012 0.000 1.028 930 L CB 1.343 43.408 42.059 0.010 0.000 1.386 930 L HN 0.243 nan 8.230 nan 0.000 0.578 931 G N 1.151 109.958 108.800 0.013 0.000 2.641 931 G HA2 0.666 4.626 3.960 -0.000 0.000 0.239 931 G HA3 0.666 4.626 3.960 -0.000 0.000 0.239 931 G C -0.469 174.438 174.900 0.011 0.000 1.402 931 G CA -0.451 44.656 45.100 0.012 0.000 1.046 931 G HN 0.309 nan 8.290 nan 0.000 0.565 932 R N -1.836 118.670 120.500 0.011 0.000 2.937 932 R HA 0.339 4.679 4.340 -0.000 0.000 0.273 932 R C -0.840 175.467 176.300 0.011 0.000 1.176 932 R CA -0.607 55.499 56.100 0.011 0.000 1.132 932 R CB 0.522 30.828 30.300 0.008 0.000 1.270 932 R HN 0.462 nan 8.270 nan 0.000 0.425 933 E N 0.978 121.185 120.200 0.012 0.000 3.370 933 E HA -0.245 4.105 4.350 -0.000 0.000 0.291 933 E C 1.028 177.636 176.600 0.013 0.000 0.916 933 E CA 2.341 58.748 56.400 0.012 0.000 0.981 933 E CB -1.315 28.392 29.700 0.010 0.000 1.498 933 E HN 1.294 nan 8.360 nan 0.000 0.452 934 G N -2.276 106.533 108.800 0.014 0.000 2.194 934 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.236 934 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.236 934 G C 0.360 175.269 174.900 0.015 0.000 0.987 934 G CA 0.472 45.582 45.100 0.016 0.000 0.635 934 G HN 1.123 nan 8.290 nan 0.000 0.520 935 V N -2.170 117.753 119.914 0.014 0.000 2.881 935 V HA 0.903 5.023 4.120 -0.000 0.000 0.316 935 V C -0.310 175.792 176.094 0.013 0.000 1.070 935 V CA -0.419 61.889 62.300 0.014 0.000 0.976 935 V CB 1.969 33.800 31.823 0.013 0.000 1.038 935 V HN 0.645 nan 8.190 nan 0.000 0.446 936 Q N 1.653 121.461 119.800 0.013 0.000 2.295 936 Q HA 0.470 4.810 4.340 -0.000 0.000 0.259 936 Q C -1.255 174.751 176.000 0.010 0.000 0.966 936 Q CA -0.619 55.191 55.803 0.011 0.000 0.763 936 Q CB 1.944 30.689 28.738 0.012 0.000 1.283 936 Q HN 0.897 nan 8.270 nan 0.000 0.445 937 K N 2.269 122.673 120.400 0.005 0.000 2.118 937 K HA 0.442 4.762 4.320 -0.000 0.000 0.267 937 K C -0.730 175.866 176.600 -0.008 0.000 0.991 937 K CA -0.634 55.654 56.287 0.002 0.000 0.916 937 K CB 1.266 33.766 32.500 -0.001 0.000 1.041 937 K HN 0.395 nan 8.250 nan 0.000 0.455 938 E N 1.950 122.141 120.200 -0.017 0.000 2.378 938 E HA 0.146 4.496 4.350 -0.000 0.000 0.282 938 E C -1.756 174.797 176.600 -0.078 0.000 0.910 938 E CA -0.419 55.958 56.400 -0.038 0.000 0.816 938 E CB 0.725 30.409 29.700 -0.027 0.000 1.359 938 E HN 0.370 nan 8.360 nan 0.000 0.397 939 D N 3.233 123.578 120.400 -0.092 0.000 2.304 939 D HA 0.378 5.018 4.640 -0.000 0.000 0.247 939 D C 0.022 176.195 176.300 -0.211 0.000 1.089 939 D CA 0.095 54.010 54.000 -0.142 0.000 0.910 939 D CB 0.982 41.722 40.800 -0.099 0.000 1.199 939 D HN 0.408 nan 8.370 nan 0.000 0.426 940 I N 2.571 122.933 120.570 -0.346 0.000 2.476 940 I HA 0.196 4.366 4.170 -0.000 0.000 0.281 940 I C -2.372 173.555 176.117 -0.316 0.000 1.040 940 I CA -2.045 59.012 61.300 -0.406 0.000 1.094 940 I CB 1.961 39.505 38.000 -0.761 0.000 1.219 940 I HN -0.038 nan 8.210 nan 0.000 0.450 941 P HA 0.127 nan 4.420 nan 0.000 0.266 941 P C -2.404 174.847 177.300 -0.083 0.000 1.195 941 P CA -0.704 62.332 63.100 -0.107 0.000 0.768 941 P CB -0.207 31.448 31.700 -0.074 0.000 0.838 942 P HA 0.079 nan 4.420 nan 0.000 0.269 942 P C -0.333 176.953 177.300 -0.024 0.000 1.215 942 P CA 0.038 63.129 63.100 -0.015 0.000 0.780 942 P CB 0.323 32.016 31.700 -0.012 0.000 0.898 943 A N 1.780 124.589 122.820 -0.018 0.000 2.448 943 A HA 0.014 4.334 4.320 -0.000 0.000 0.239 943 A C 1.397 178.932 177.584 -0.081 0.000 1.080 943 A CA 0.170 52.178 52.037 -0.048 0.000 0.779 943 A CB -0.197 18.765 19.000 -0.064 0.000 1.026 943 A HN 0.593 nan 8.150 nan 0.000 0.499 944 D N -0.033 120.310 120.400 -0.095 0.000 2.083 944 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 944 D C 1.088 177.292 176.300 -0.159 0.000 0.980 944 D CA 1.808 55.750 54.000 -0.097 0.000 0.851 944 D CB -0.332 40.428 40.800 -0.066 0.000 0.997 944 D HN 0.629 nan 8.370 nan 0.000 0.449 945 L N 0.049 121.098 121.223 -0.291 0.000 3.976 945 L HA -0.289 4.051 4.340 -0.000 0.000 0.418 945 L C 1.546 178.301 176.870 -0.191 0.000 1.177 945 L CA 0.430 54.997 54.840 -0.455 0.000 0.968 945 L CB -2.371 39.416 42.059 -0.454 0.000 1.933 945 L HN 0.141 nan 8.230 nan 0.000 0.976 946 S N -0.627 115.016 115.700 -0.095 0.000 2.406 946 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 946 S C 1.220 175.827 174.600 0.012 0.000 1.020 946 S CA 0.961 59.142 58.200 -0.033 0.000 0.965 946 S CB -0.114 63.075 63.200 -0.018 0.000 0.798 946 S HN 0.694 nan 8.310 nan 0.000 0.488 947 D N 0.784 121.217 120.400 0.056 0.000 2.460 947 D HA 0.096 4.736 4.640 -0.000 0.000 0.229 947 D C 0.368 176.786 176.300 0.196 0.000 1.170 947 D CA -0.352 53.714 54.000 0.110 0.000 0.827 947 D CB -0.577 40.295 40.800 0.120 0.000 0.973 947 D HN 0.569 nan 8.370 nan 0.000 0.496 948 Q N 0.527 120.437 119.800 0.185 0.000 2.392 948 Q HA 0.167 4.507 4.340 -0.000 0.000 0.262 948 Q C -0.432 175.672 176.000 0.174 0.000 1.003 948 Q CA -0.450 55.524 55.803 0.284 0.000 0.888 948 Q CB 1.230 30.059 28.738 0.151 0.000 1.260 948 Q HN -0.013 nan 8.270 nan 0.000 0.435 949 V N 6.195 126.217 119.914 0.181 0.000 2.572 949 V HA 0.131 4.251 4.120 -0.000 0.000 0.291 949 V C -2.027 174.110 176.094 0.070 0.000 1.039 949 V CA -1.258 61.107 62.300 0.109 0.000 1.055 949 V CB 0.633 32.527 31.823 0.118 0.000 0.969 949 V HN 0.839 nan 8.190 nan 0.000 0.482 950 P HA 0.029 nan 4.420 nan 0.000 0.265 950 P C 0.131 177.434 177.300 0.004 0.000 1.187 950 P CA 0.457 63.566 63.100 0.016 0.000 0.766 950 P CB 0.152 31.856 31.700 0.006 0.000 0.820 951 D N 0.868 121.261 120.400 -0.011 0.000 2.746 951 D HA -0.142 4.498 4.640 -0.000 0.000 0.241 951 D C -0.912 175.367 176.300 -0.034 0.000 1.140 951 D CA 1.426 55.410 54.000 -0.026 0.000 0.707 951 D CB -1.339 39.443 40.800 -0.030 0.000 1.034 951 D HN 0.479 nan 8.370 nan 0.000 0.423 952 T N -1.382 113.148 114.554 -0.040 0.000 2.933 952 T HA 0.651 5.001 4.350 -0.000 0.000 0.305 952 T C 0.113 174.759 174.700 -0.090 0.000 1.092 952 T CA -0.861 61.183 62.100 -0.094 0.000 1.008 952 T CB 1.997 70.792 68.868 -0.121 0.000 1.102 952 T HN 0.129 nan 8.240 nan 0.000 0.469 953 E N 1.642 121.765 120.200 -0.128 0.000 2.405 953 E HA 0.675 5.025 4.350 -0.000 0.000 0.253 953 E C -0.281 176.284 176.600 -0.058 0.000 1.257 953 E CA -0.783 55.568 56.400 -0.082 0.000 0.960 953 E CB 0.321 29.976 29.700 -0.075 0.000 1.077 953 E HN 1.039 nan 8.360 nan 0.000 0.512 954 S N -1.422 114.271 115.700 -0.012 0.000 2.583 954 S HA 0.375 4.845 4.470 -0.000 0.000 0.294 954 S C -1.361 173.257 174.600 0.030 0.000 1.121 954 S CA -1.097 57.129 58.200 0.043 0.000 0.910 954 S CB 0.483 63.732 63.200 0.082 0.000 1.102 954 S HN 0.750 nan 8.310 nan 0.000 0.451 955 E N 1.102 121.329 120.200 0.045 0.000 2.199 955 E HA 0.662 5.012 4.350 -0.000 0.000 0.269 955 E C -1.110 175.511 176.600 0.035 0.000 0.899 955 E CA -0.836 55.579 56.400 0.025 0.000 0.772 955 E CB 1.783 31.493 29.700 0.017 0.000 1.155 955 E HN 0.453 nan 8.360 nan 0.000 0.408 956 T N 2.988 117.551 114.554 0.015 0.000 2.767 956 T HA 0.238 4.588 4.350 -0.000 0.000 0.288 956 T C -0.245 174.453 174.700 -0.003 0.000 0.963 956 T CA -0.600 61.514 62.100 0.024 0.000 1.019 956 T CB 0.583 69.472 68.868 0.035 0.000 0.923 956 T HN 0.407 nan 8.240 nan 0.000 0.468 957 R N 4.606 125.116 120.500 0.017 0.000 2.369 957 R HA 0.352 4.692 4.340 -0.000 0.000 0.310 957 R C -0.320 175.981 176.300 0.001 0.000 1.141 957 R CA -0.469 55.631 56.100 -0.001 0.000 1.116 957 R CB -0.163 30.145 30.300 0.013 0.000 1.135 957 R HN 0.624 nan 8.270 nan 0.000 0.529 958 I N 4.907 125.450 120.570 -0.044 0.000 2.634 958 I HA 0.144 4.314 4.170 -0.000 0.000 0.284 958 I C -0.017 176.080 176.117 -0.033 0.000 1.124 958 I CA -0.046 61.236 61.300 -0.030 0.000 1.417 958 I CB 0.903 38.809 38.000 -0.156 0.000 1.396 958 I HN 0.498 nan 8.210 nan 0.000 0.571 959 L N 7.125 128.343 121.223 -0.009 0.000 2.493 959 L HA 0.576 4.916 4.340 -0.000 0.000 0.265 959 L C -1.440 175.405 176.870 -0.042 0.000 0.954 959 L CA -0.371 54.447 54.840 -0.037 0.000 0.844 959 L CB 1.644 43.691 42.059 -0.019 0.000 1.302 959 L HN 0.525 nan 8.230 nan 0.000 0.405 960 L N 4.007 125.176 121.223 -0.090 0.000 2.319 960 L HA 0.716 5.055 4.340 -0.000 0.000 0.267 960 L C -0.929 175.894 176.870 -0.078 0.000 1.011 960 L CA -0.545 54.243 54.840 -0.086 0.000 0.818 960 L CB 2.098 44.074 42.059 -0.137 0.000 1.316 960 L HN 0.647 nan 8.230 nan 0.000 0.432 961 Q N 0.250 120.019 119.800 -0.053 0.000 2.443 961 Q HA 0.400 4.740 4.340 -0.000 0.000 0.258 961 Q C -1.170 174.811 176.000 -0.031 0.000 0.967 961 Q CA -0.574 55.202 55.803 -0.045 0.000 0.951 961 Q CB 2.023 30.738 28.738 -0.038 0.000 1.459 961 Q HN 0.781 nan 8.270 nan 0.000 0.415 962 G N 1.101 109.881 108.800 -0.033 0.000 2.403 962 G HA2 0.368 4.328 3.960 -0.000 0.000 0.259 962 G HA3 0.368 4.328 3.960 -0.000 0.000 0.259 962 G C -0.490 174.399 174.900 -0.018 0.000 1.244 962 G CA 0.033 45.122 45.100 -0.019 0.000 0.849 962 G HN 0.354 nan 8.290 nan 0.000 0.532 963 T N 3.836 118.395 114.554 0.008 0.000 3.042 963 T HA 0.518 4.868 4.350 -0.000 0.000 0.356 963 T C -2.119 172.613 174.700 0.053 0.000 1.233 963 T CA -1.620 60.491 62.100 0.017 0.000 1.038 963 T CB 0.478 69.359 68.868 0.021 0.000 1.089 963 T HN 0.272 nan 8.240 nan 0.000 0.531 964 P HA 0.203 nan 4.420 nan 0.000 0.269 964 P C -0.524 176.875 177.300 0.164 0.000 1.217 964 P CA -0.260 62.933 63.100 0.155 0.000 0.783 964 P CB 0.742 32.477 31.700 0.058 0.000 0.898 965 V N 0.525 120.578 119.914 0.231 0.000 4.114 965 V HA 0.482 4.602 4.120 -0.000 0.000 0.505 965 V C -0.697 175.490 176.094 0.156 0.000 1.609 965 V CA -0.255 62.138 62.300 0.155 0.000 2.377 965 V CB -0.186 31.714 31.823 0.128 0.000 0.852 965 V HN 0.647 nan 8.190 nan 0.000 0.562 966 A N 2.421 125.344 122.820 0.172 0.000 2.309 966 A HA 0.824 5.144 4.320 -0.000 0.000 0.290 966 A C -0.189 177.438 177.584 0.072 0.000 1.206 966 A CA 0.022 52.133 52.037 0.123 0.000 0.850 966 A CB 1.054 20.151 19.000 0.162 0.000 1.118 966 A HN 0.819 nan 8.150 nan 0.000 0.523 967 Q N 2.056 121.875 119.800 0.030 0.000 2.857 967 Q HA 0.740 5.080 4.340 -0.000 0.000 0.319 967 Q C -0.807 175.194 176.000 0.002 0.000 0.963 967 Q CA -0.888 54.931 55.803 0.026 0.000 0.770 967 Q CB 0.945 29.702 28.738 0.032 0.000 1.492 967 Q HN 0.789 nan 8.270 nan 0.000 0.493 968 M N -0.990 118.625 119.600 0.025 0.000 7.319 968 M HA -0.180 4.300 4.480 -0.000 0.000 0.128 968 M C -0.797 175.529 176.300 0.045 0.000 0.480 968 M CA 1.635 56.959 55.300 0.039 0.000 1.311 968 M CB -2.702 29.899 32.600 0.000 0.000 0.421 968 M HN 0.962 nan 8.290 nan 0.000 0.441 969 T N 0.813 115.417 114.554 0.084 0.000 0.630 969 T HA -0.031 4.319 4.350 -0.000 0.000 0.765 969 T C -0.502 174.306 174.700 0.180 0.000 0.991 969 T CA 0.456 62.614 62.100 0.096 0.000 4.032 969 T CB -0.294 68.571 68.868 -0.005 0.000 2.278 969 T HN 0.561 nan 8.240 nan 0.000 0.395 970 E N 1.772 122.171 120.200 0.331 0.000 2.250 970 E HA 0.391 4.741 4.350 -0.000 0.000 0.269 970 E C -0.013 176.703 176.600 0.193 0.000 1.018 970 E CA -0.829 55.707 56.400 0.227 0.000 0.873 970 E CB 0.771 30.572 29.700 0.167 0.000 1.134 970 E HN 0.550 nan 8.360 nan 0.000 0.403 971 D N 0.609 121.085 120.400 0.127 0.000 2.424 971 D HA 0.272 4.912 4.640 -0.000 0.000 0.244 971 D C -0.185 176.197 176.300 0.137 0.000 1.134 971 D CA 0.093 54.159 54.000 0.110 0.000 0.881 971 D CB 0.798 41.647 40.800 0.082 0.000 1.191 971 D HN 0.388 nan 8.370 nan 0.000 0.445 972 A N 1.886 124.791 122.820 0.142 0.000 2.286 972 A HA 0.419 4.739 4.320 -0.000 0.000 0.286 972 A C -0.028 177.685 177.584 0.214 0.000 1.097 972 A CA -0.713 51.451 52.037 0.212 0.000 0.821 972 A CB 0.620 19.716 19.000 0.160 0.000 1.076 972 A HN 0.389 nan 8.150 nan 0.000 0.490 973 V N 2.536 122.632 119.914 0.302 0.000 2.529 973 V HA 0.017 4.137 4.120 -0.000 0.000 0.292 973 V C -0.025 176.168 176.094 0.166 0.000 1.028 973 V CA -0.146 62.276 62.300 0.204 0.000 1.074 973 V CB 0.115 32.035 31.823 0.163 0.000 0.958 973 V HN 0.820 nan 8.190 nan 0.000 0.481 974 D N 3.765 124.198 120.400 0.054 0.000 2.458 974 D HA 0.184 4.824 4.640 -0.000 0.000 0.243 974 D C 1.006 177.291 176.300 -0.025 0.000 1.146 974 D CA 0.578 54.585 54.000 0.011 0.000 0.877 974 D CB 1.408 42.198 40.800 -0.017 0.000 1.176 974 D HN 0.645 nan 8.370 nan 0.000 0.461 975 A N 2.998 125.823 122.820 0.009 0.000 2.019 975 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 975 A C 1.865 179.541 177.584 0.155 0.000 1.164 975 A CA 1.335 53.394 52.037 0.037 0.000 0.644 975 A CB -0.463 18.538 19.000 0.001 0.000 0.805 975 A HN 0.735 nan 8.150 nan 0.000 0.449 976 E N -0.284 119.938 120.200 0.036 0.000 2.209 976 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 976 E C 1.472 178.019 176.600 -0.087 0.000 0.993 976 E CA 0.727 57.102 56.400 -0.041 0.000 0.819 976 E CB -0.007 29.661 29.700 -0.054 0.000 0.745 976 E HN 0.364 nan 8.360 nan 0.000 0.477 977 R N -0.131 120.258 120.500 -0.185 0.000 2.313 977 R HA 0.101 4.441 4.340 -0.000 0.000 0.199 977 R C 0.677 176.834 176.300 -0.238 0.000 0.958 977 R CA 0.299 56.170 56.100 -0.382 0.000 1.047 977 R CB 0.197 29.861 30.300 -1.061 0.000 0.955 977 R HN 0.261 nan 8.270 nan 0.000 0.481 978 L N 0.462 121.626 121.223 -0.098 0.000 3.168 978 L HA 0.299 4.639 4.340 -0.000 0.000 0.277 978 L C 0.586 177.494 176.870 0.063 0.000 1.308 978 L CA -0.072 54.685 54.840 -0.139 0.000 0.976 978 L CB 0.536 42.427 42.059 -0.280 0.000 1.383 978 L HN -0.202 nan 8.230 nan 0.000 0.572 979 K N -0.091 120.373 120.400 0.106 0.000 2.437 979 K HA 0.050 4.370 4.320 -0.000 0.000 0.198 979 K C 0.997 177.663 176.600 0.110 0.000 1.024 979 K CA 0.232 56.571 56.287 0.088 0.000 1.148 979 K CB 0.096 32.535 32.500 -0.103 0.000 0.860 979 K HN 0.555 nan 8.250 nan 0.000 0.515 980 H N -3.167 115.934 119.070 0.051 0.000 3.170 980 H HA 0.214 4.770 4.556 -0.000 0.000 0.264 980 H C 1.291 176.639 175.328 0.034 0.000 1.113 980 H CA -0.340 55.730 56.048 0.037 0.000 1.194 980 H CB -0.031 29.747 29.762 0.027 0.000 1.553 980 H HN -0.034 nan 8.280 nan 0.000 0.538 981 L N 1.095 122.074 121.223 -0.407 0.000 2.552 981 L HA 0.119 4.459 4.340 -0.000 0.000 0.227 981 L C 0.103 176.919 176.870 -0.091 0.000 1.146 981 L CA 0.055 54.724 54.840 -0.285 0.000 0.858 981 L CB 0.065 41.869 42.059 -0.425 0.000 0.969 981 L HN 0.350 nan 8.230 nan 0.000 0.451 982 I N 1.587 122.148 120.570 -0.014 0.000 2.268 982 I HA 0.089 4.259 4.170 -0.000 0.000 0.298 982 I C 0.111 176.262 176.117 0.056 0.000 1.185 982 I CA 0.190 61.518 61.300 0.046 0.000 1.548 982 I CB -0.554 37.516 38.000 0.116 0.000 1.492 982 I HN -0.204 nan 8.210 nan 0.000 0.711 983 V N 4.048 123.991 119.914 0.047 0.000 2.532 983 V HA 0.306 4.426 4.120 -0.000 0.000 0.295 983 V C 0.754 176.880 176.094 0.053 0.000 1.041 983 V CA -0.585 61.749 62.300 0.056 0.000 0.926 983 V CB 1.885 33.744 31.823 0.060 0.000 0.992 983 V HN 0.559 nan 8.190 nan 0.000 0.457 984 T N 6.409 120.996 114.554 0.054 0.000 2.739 984 T HA 0.268 4.618 4.350 -0.000 0.000 0.298 984 T C -2.407 172.324 174.700 0.051 0.000 0.929 984 T CA -0.767 61.364 62.100 0.052 0.000 1.014 984 T CB 0.631 69.530 68.868 0.051 0.000 0.914 984 T HN 0.469 nan 8.240 nan 0.000 0.509 985 P HA 0.205 nan 4.420 nan 0.000 0.264 985 P C -0.594 176.740 177.300 0.056 0.000 1.193 985 P CA -0.001 63.129 63.100 0.049 0.000 0.763 985 P CB 0.396 32.129 31.700 0.055 0.000 0.810 986 S N 1.461 117.189 115.700 0.046 0.000 2.558 986 S HA 0.812 5.282 4.470 -0.000 0.000 0.277 986 S C -0.410 174.213 174.600 0.039 0.000 1.143 986 S CA -0.117 58.120 58.200 0.061 0.000 0.865 986 S CB 1.469 64.708 63.200 0.066 0.000 1.102 986 S HN 0.878 nan 8.310 nan 0.000 0.454 987 G N 0.278 109.117 108.800 0.064 0.000 2.316 987 G HA2 0.283 4.243 3.960 -0.000 0.000 0.349 987 G HA3 0.283 4.243 3.960 -0.000 0.000 0.349 987 G C 0.260 175.147 174.900 -0.022 0.000 1.274 987 G CA -0.062 45.058 45.100 0.033 0.000 1.018 987 G HN 2.182 nan 8.290 nan 0.000 0.486 988 C N -0.510 118.693 119.300 -0.162 0.000 2.825 988 C HA 0.707 5.167 4.460 -0.000 0.000 0.279 988 C C 2.593 176.824 174.990 -1.264 0.000 1.910 988 C CA 0.946 59.651 59.018 -0.522 0.000 1.960 988 C CB -0.067 27.324 27.740 -0.583 0.000 1.951 988 C HN 2.198 nan 8.230 nan 0.000 0.587 989 G N -0.505 107.292 108.800 -1.670 0.000 2.498 989 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.219 989 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.219 989 G C 1.369 175.922 174.900 -0.578 0.000 1.119 989 G CA 0.913 45.219 45.100 -1.323 0.000 0.766 989 G HN 0.910 nan 8.290 nan 0.000 0.552 990 E N -0.387 119.534 120.200 -0.464 0.000 2.306 990 E HA 0.058 4.408 4.350 -0.000 0.000 0.201 990 E C 2.081 178.482 176.600 -0.332 0.000 0.874 990 E CA -0.019 56.217 56.400 -0.274 0.000 0.972 990 E CB 0.187 29.808 29.700 -0.131 0.000 0.957 990 E HN 0.404 nan 8.360 nan 0.000 0.492 991 E N 1.293 121.276 120.200 -0.362 0.000 2.268 991 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 991 E C 1.719 178.208 176.600 -0.184 0.000 0.995 991 E CA 0.649 56.867 56.400 -0.303 0.000 0.836 991 E CB -0.004 29.595 29.700 -0.168 0.000 0.763 991 E HN 0.050 nan 8.360 nan 0.000 0.491 992 N N 0.499 119.080 118.700 -0.199 0.000 2.171 992 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 992 N C 1.605 177.088 175.510 -0.045 0.000 1.021 992 N CA 1.045 54.036 53.050 -0.098 0.000 0.854 992 N CB 0.109 38.534 38.487 -0.103 0.000 0.994 992 N HN 0.020 nan 8.380 nan 0.000 0.426 993 M N 0.210 119.773 119.600 -0.062 0.000 2.229 993 M HA 0.028 4.508 4.480 -0.000 0.000 0.264 993 M C 1.899 178.227 176.300 0.048 0.000 1.063 993 M CA 0.768 56.088 55.300 0.033 0.000 1.114 993 M CB -0.746 31.899 32.600 0.076 0.000 1.387 993 M HN 0.198 nan 8.290 nan 0.000 0.420 994 I N -0.609 119.938 120.570 -0.039 0.000 2.493 994 I HA -0.156 4.014 4.170 -0.000 0.000 0.254 994 I C 2.272 178.397 176.117 0.013 0.000 1.160 994 I CA 1.214 62.493 61.300 -0.035 0.000 1.445 994 I CB -0.759 37.157 38.000 -0.141 0.000 1.086 994 I HN 0.309 nan 8.210 nan 0.000 0.433 995 G N -0.107 108.698 108.800 0.008 0.000 2.838 995 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.210 995 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.210 995 G C 1.580 176.509 174.900 0.048 0.000 1.153 995 G CA -0.149 44.970 45.100 0.032 0.000 0.778 995 G HN 0.241 nan 8.290 nan 0.000 0.539 996 M N 0.293 119.925 119.600 0.054 0.000 2.486 996 M HA 0.089 4.569 4.480 -0.000 0.000 0.264 996 M C 2.267 178.613 176.300 0.077 0.000 1.125 996 M CA 0.881 56.216 55.300 0.058 0.000 1.144 996 M CB 0.086 32.719 32.600 0.054 0.000 1.353 996 M HN 0.094 nan 8.290 nan 0.000 0.466 997 T N 2.172 116.792 114.554 0.111 0.000 2.708 997 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 997 T C -1.025 173.780 174.700 0.174 0.000 1.037 997 T CA 1.502 63.706 62.100 0.173 0.000 1.146 997 T CB -1.416 67.596 68.868 0.240 0.000 0.865 997 T HN 0.383 nan 8.240 nan 0.000 0.435 998 P HA -0.025 nan 4.420 nan 0.000 0.222 998 P C 1.156 178.449 177.300 -0.012 0.000 1.147 998 P CA 1.193 64.325 63.100 0.053 0.000 0.790 998 P CB -0.231 31.496 31.700 0.045 0.000 0.780 999 T N -0.764 113.804 114.554 0.023 0.000 2.939 999 T HA 0.016 4.366 4.350 -0.000 0.000 0.254 999 T C 1.980 176.693 174.700 0.021 0.000 1.041 999 T CA 0.583 62.687 62.100 0.007 0.000 1.142 999 T CB -0.698 68.188 68.868 0.030 0.000 0.874 999 T HN -0.126 nan 8.240 nan 0.000 0.452 1000 V N 1.529 121.479 119.914 0.060 0.000 2.307 1000 V HA -0.065 4.055 4.120 -0.000 0.000 0.245 1000 V C 2.291 178.445 176.094 0.101 0.000 1.045 1000 V CA 1.217 63.566 62.300 0.082 0.000 1.024 1000 V CB -0.441 31.445 31.823 0.105 0.000 0.651 1000 V HN 0.351 nan 8.190 nan 0.000 0.449 1001 I N 0.163 120.800 120.570 0.113 0.000 3.111 1001 I HA 0.014 4.184 4.170 -0.000 0.000 0.272 1001 I C 2.118 178.197 176.117 -0.064 0.000 1.268 1001 I CA 1.087 62.413 61.300 0.042 0.000 1.467 1001 I CB -0.418 37.614 38.000 0.054 0.000 1.087 1001 I HN 0.163 nan 8.210 nan 0.000 0.467 1002 A N -0.616 122.112 122.820 -0.154 0.000 1.861 1002 A HA -0.040 4.280 4.320 -0.000 0.000 0.212 1002 A C 2.267 179.721 177.584 -0.216 0.000 1.199 1002 A CA 1.481 53.326 52.037 -0.321 0.000 0.613 1002 A CB -0.974 17.813 19.000 -0.354 0.000 0.846 1002 A HN 0.191 nan 8.150 nan 0.000 0.446 1003 V N 0.157 120.039 119.914 -0.054 0.000 2.490 1003 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 1003 V C 2.475 178.644 176.094 0.125 0.000 1.061 1003 V CA 2.495 64.871 62.300 0.126 0.000 1.064 1003 V CB -1.124 30.828 31.823 0.216 0.000 0.670 1003 V HN 0.866 nan 8.190 nan 0.000 0.461 1004 H N -1.027 118.050 119.070 0.012 0.000 2.423 1004 H HA -0.221 4.335 4.556 -0.000 0.000 0.297 1004 H C 2.018 177.352 175.328 0.011 0.000 1.075 1004 H CA 2.004 58.061 56.048 0.014 0.000 1.342 1004 H CB -0.180 29.579 29.762 -0.004 0.000 1.395 1004 H HN 0.520 nan 8.280 nan 0.000 0.530 1005 Y N -0.017 120.176 120.300 -0.178 0.000 2.475 1005 Y HA 0.074 4.624 4.550 -0.000 0.000 0.289 1005 Y C 1.693 177.428 175.900 -0.275 0.000 1.121 1005 Y CA 0.744 58.717 58.100 -0.211 0.000 1.257 1005 Y CB 0.187 38.581 38.460 -0.110 0.000 1.026 1005 Y HN 0.212 nan 8.280 nan 0.000 0.555 1006 L N -0.671 120.360 121.223 -0.320 0.000 2.270 1006 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 1006 L C 1.445 178.157 176.870 -0.264 0.000 1.104 1006 L CA 0.655 55.147 54.840 -0.579 0.000 0.804 1006 L CB -0.301 40.929 42.059 -1.383 0.000 0.937 1006 L HN 0.067 nan 8.230 nan 0.000 0.450 1007 D N -0.015 120.375 120.400 -0.015 0.000 2.183 1007 D HA -0.125 4.515 4.640 -0.000 0.000 0.203 1007 D C 2.121 178.366 176.300 -0.091 0.000 0.969 1007 D CA 0.849 54.899 54.000 0.083 0.000 0.842 1007 D CB 0.182 41.020 40.800 0.063 0.000 0.957 1007 D HN 0.267 nan 8.370 nan 0.000 0.484 1008 E N 0.074 120.123 120.200 -0.251 0.000 2.030 1008 E HA -0.056 4.294 4.350 -0.000 0.000 0.189 1008 E C 2.227 178.667 176.600 -0.267 0.000 0.974 1008 E CA 1.251 57.486 56.400 -0.275 0.000 0.807 1008 E CB -0.617 28.858 29.700 -0.376 0.000 0.771 1008 E HN 0.376 nan 8.360 nan 0.000 0.451 1009 T N -0.438 113.877 114.554 -0.398 0.000 3.072 1009 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 1009 T C 0.339 174.923 174.700 -0.193 0.000 1.127 1009 T CA 0.317 62.217 62.100 -0.333 0.000 1.107 1009 T CB -0.058 68.516 68.868 -0.489 0.000 0.910 1009 T HN -0.017 nan 8.240 nan 0.000 0.513 1010 E N 1.082 121.189 120.200 -0.155 0.000 2.240 1010 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 1010 E C -0.226 176.348 176.600 -0.045 0.000 1.385 1010 E CA 0.479 56.858 56.400 -0.036 0.000 0.686 1010 E CB -2.027 27.668 29.700 -0.008 0.000 1.125 1010 E HN 0.802 nan 8.360 nan 0.000 0.359 1011 Q N -1.501 118.209 119.800 -0.150 0.000 2.157 1011 Q HA 0.108 4.448 4.340 -0.000 0.000 0.229 1011 Q C 1.007 176.951 176.000 -0.092 0.000 0.827 1011 Q CA -0.289 55.445 55.803 -0.116 0.000 1.055 1011 Q CB 0.134 28.785 28.738 -0.145 0.000 1.157 1011 Q HN 0.425 nan 8.270 nan 0.000 0.482 1012 W N 1.505 122.804 121.300 -0.002 0.000 2.525 1012 W HA -0.076 4.584 4.660 -0.000 0.000 0.259 1012 W C 1.584 178.157 176.519 0.091 0.000 1.253 1012 W CA 0.706 58.077 57.345 0.043 0.000 1.262 1012 W CB 0.376 29.832 29.460 -0.007 0.000 1.122 1012 W HN 0.312 nan 8.180 nan 0.000 0.607 1013 E N 0.401 120.745 120.200 0.239 0.000 2.028 1013 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 1013 E C 2.058 178.736 176.600 0.130 0.000 0.988 1013 E CA 0.976 57.471 56.400 0.159 0.000 0.799 1013 E CB -0.203 29.557 29.700 0.100 0.000 0.755 1013 E HN 0.076 nan 8.360 nan 0.000 0.447 1014 K N 0.365 120.828 120.400 0.106 0.000 2.228 1014 K HA -0.041 4.279 4.320 -0.000 0.000 0.202 1014 K C 1.839 178.487 176.600 0.081 0.000 1.051 1014 K CA 0.507 56.836 56.287 0.070 0.000 0.960 1014 K CB -0.322 32.204 32.500 0.044 0.000 0.743 1014 K HN 0.120 nan 8.250 nan 0.000 0.458 1015 F N 0.734 120.669 119.950 -0.025 0.000 2.206 1015 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 1015 F C 1.473 177.291 175.800 0.030 0.000 1.090 1015 F CA 1.881 59.853 58.000 -0.047 0.000 1.323 1015 F CB 0.312 39.214 39.000 -0.163 0.000 1.028 1015 F HN 0.188 nan 8.300 nan 0.000 0.492 1016 G N -0.589 108.336 108.800 0.207 0.000 3.819 1016 G HA2 0.071 4.031 3.960 -0.000 0.000 0.210 1016 G HA3 0.071 4.031 3.960 -0.000 0.000 0.210 1016 G C -0.063 174.969 174.900 0.221 0.000 1.018 1016 G CA -0.266 44.907 45.100 0.122 0.000 0.882 1016 G HN 0.565 nan 8.290 nan 0.000 0.377 1017 L N -0.550 120.918 121.223 0.408 0.000 0.588 1017 L HA -0.016 4.324 4.340 -0.000 0.000 0.356 1017 L C 0.974 177.923 176.870 0.132 0.000 0.998 1017 L CA 2.397 57.401 54.840 0.273 0.000 1.223 1017 L CB -0.556 41.606 42.059 0.172 0.000 0.010 1017 L HN 1.895 nan 8.230 nan 0.000 0.092 1018 E N 0.214 120.420 120.200 0.009 0.000 4.586 1018 E HA -0.336 4.014 4.350 -0.000 0.000 0.271 1018 E C 1.016 177.611 176.600 -0.008 0.000 0.767 1018 E CA 2.393 58.778 56.400 -0.024 0.000 1.491 1018 E CB -1.132 28.571 29.700 0.005 0.000 1.758 1018 E HN 0.732 nan 8.360 nan 0.000 0.398 1019 K N 0.113 120.564 120.400 0.084 0.000 2.432 1019 K HA 0.027 4.347 4.320 -0.000 0.000 0.196 1019 K C 2.014 178.673 176.600 0.098 0.000 1.038 1019 K CA 0.802 57.172 56.287 0.138 0.000 0.986 1019 K CB -0.089 32.572 32.500 0.269 0.000 0.782 1019 K HN 0.220 nan 8.250 nan 0.000 0.485 1020 R N 1.419 121.850 120.500 -0.114 0.000 2.096 1020 R HA -0.218 4.122 4.340 -0.000 0.000 0.235 1020 R C 2.249 178.424 176.300 -0.208 0.000 1.127 1020 R CA 1.555 57.409 56.100 -0.411 0.000 0.968 1020 R CB 0.020 29.600 30.300 -1.201 0.000 0.861 1020 R HN 0.048 nan 8.270 nan 0.000 0.440 1021 Q N -0.161 119.543 119.800 -0.159 0.000 2.135 1021 Q HA -0.087 4.253 4.340 -0.000 0.000 0.204 1021 Q C 1.733 177.707 176.000 -0.044 0.000 0.981 1021 Q CA 2.119 57.862 55.803 -0.100 0.000 0.856 1021 Q CB -0.597 28.093 28.738 -0.080 0.000 0.902 1021 Q HN 0.463 nan 8.270 nan 0.000 0.425 1022 G N -0.801 107.994 108.800 -0.007 0.000 2.484 1022 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.218 1022 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.218 1022 G C 1.320 176.243 174.900 0.038 0.000 1.130 1022 G CA 0.585 45.699 45.100 0.024 0.000 0.784 1022 G HN 0.482 nan 8.290 nan 0.000 0.543 1023 A N 0.244 123.092 122.820 0.047 0.000 2.021 1023 A HA 0.324 4.644 4.320 -0.000 0.000 0.216 1023 A C 2.215 179.814 177.584 0.025 0.000 1.163 1023 A CA 0.454 52.530 52.037 0.065 0.000 0.676 1023 A CB -0.142 18.939 19.000 0.134 0.000 0.818 1023 A HN 0.264 nan 8.150 nan 0.000 0.453 1024 L N 0.146 121.361 121.223 -0.013 0.000 2.072 1024 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 1024 L C 2.219 179.074 176.870 -0.024 0.000 1.079 1024 L CA 1.749 56.569 54.840 -0.034 0.000 0.752 1024 L CB -1.405 40.614 42.059 -0.068 0.000 0.906 1024 L HN 0.527 nan 8.230 nan 0.000 0.436 1025 E N -0.271 119.922 120.200 -0.013 0.000 2.265 1025 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 1025 E C 2.292 178.901 176.600 0.016 0.000 0.996 1025 E CA 0.618 57.017 56.400 -0.001 0.000 0.832 1025 E CB 0.036 29.738 29.700 0.004 0.000 0.756 1025 E HN 0.467 nan 8.360 nan 0.000 0.491 1026 L N 0.374 121.610 121.223 0.022 0.000 2.131 1026 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 1026 L C 2.344 179.233 176.870 0.031 0.000 1.087 1026 L CA 0.687 55.548 54.840 0.034 0.000 0.767 1026 L CB -0.249 41.834 42.059 0.041 0.000 0.917 1026 L HN 0.148 nan 8.230 nan 0.000 0.441 1027 I N -0.045 120.532 120.570 0.012 0.000 2.252 1027 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 1027 I C 2.414 178.532 176.117 0.002 0.000 1.102 1027 I CA 1.341 62.637 61.300 -0.007 0.000 1.385 1027 I CB -0.277 37.700 38.000 -0.039 0.000 1.064 1027 I HN 0.221 nan 8.210 nan 0.000 0.414 1028 K N 0.919 121.317 120.400 -0.004 0.000 2.097 1028 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 1028 K C 2.157 178.827 176.600 0.115 0.000 1.050 1028 K CA 1.042 57.346 56.287 0.028 0.000 0.938 1028 K CB -0.132 32.362 32.500 -0.011 0.000 0.718 1028 K HN 0.204 nan 8.250 nan 0.000 0.442 1029 K N 0.841 121.288 120.400 0.077 0.000 2.026 1029 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 1029 K C 2.176 178.836 176.600 0.101 0.000 1.048 1029 K CA 1.620 57.957 56.287 0.083 0.000 0.929 1029 K CB -0.242 32.295 32.500 0.061 0.000 0.713 1029 K HN 0.216 nan 8.250 nan 0.000 0.439 1030 G N -0.250 108.606 108.800 0.094 0.000 2.448 1030 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 1030 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 1030 G C 1.338 176.310 174.900 0.121 0.000 1.135 1030 G CA 0.702 45.860 45.100 0.097 0.000 0.784 1030 G HN 0.465 nan 8.290 nan 0.000 0.543 1031 Y N 1.998 122.284 120.300 -0.022 0.000 2.145 1031 Y HA -0.148 4.402 4.550 -0.000 0.000 0.286 1031 Y C 2.943 178.899 175.900 0.093 0.000 1.145 1031 Y CA 2.321 60.390 58.100 -0.051 0.000 1.148 1031 Y CB -0.426 37.929 38.460 -0.175 0.000 0.981 1031 Y HN 0.166 nan 8.280 nan 0.000 0.507 1032 T N 0.710 115.311 114.554 0.078 0.000 2.821 1032 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 1032 T C 1.695 176.403 174.700 0.015 0.000 1.046 1032 T CA 1.750 63.853 62.100 0.005 0.000 1.139 1032 T CB -0.250 68.680 68.868 0.103 0.000 0.871 1032 T HN 0.484 nan 8.240 nan 0.000 0.454 1033 Q N 0.485 120.336 119.800 0.084 0.000 2.124 1033 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 1033 Q C 2.433 178.598 176.000 0.274 0.000 0.977 1033 Q CA 1.160 57.053 55.803 0.151 0.000 0.850 1033 Q CB -0.187 28.666 28.738 0.190 0.000 0.901 1033 Q HN 0.360 nan 8.270 nan 0.000 0.429 1034 Q N 0.914 120.856 119.800 0.238 0.000 2.224 1034 Q HA -0.071 4.269 4.340 -0.000 0.000 0.203 1034 Q C 1.679 177.902 176.000 0.371 0.000 0.970 1034 Q CA 1.077 57.080 55.803 0.332 0.000 0.865 1034 Q CB -0.037 28.845 28.738 0.240 0.000 0.922 1034 Q HN 0.397 nan 8.270 nan 0.000 0.445 1035 L N -0.578 120.739 121.223 0.156 0.000 2.217 1035 L HA -0.011 4.329 4.340 -0.000 0.000 0.211 1035 L C 2.108 178.990 176.870 0.021 0.000 1.107 1035 L CA 0.759 55.653 54.840 0.090 0.000 0.783 1035 L CB -0.605 41.420 42.059 -0.056 0.000 0.919 1035 L HN 0.229 nan 8.230 nan 0.000 0.442 1036 A N -0.563 122.228 122.820 -0.048 0.000 2.172 1036 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 1036 A C 1.425 178.740 177.584 -0.449 0.000 1.154 1036 A CA 0.994 52.862 52.037 -0.282 0.000 0.701 1036 A CB -0.497 18.253 19.000 -0.417 0.000 0.789 1036 A HN 0.411 nan 8.150 nan 0.000 0.465 1037 F N -0.841 119.138 119.950 0.047 0.000 2.654 1037 F HA 0.292 4.819 4.527 -0.000 0.000 0.303 1037 F C 0.919 176.691 175.800 -0.047 0.000 1.099 1037 F CA -0.354 57.673 58.000 0.045 0.000 1.270 1037 F CB 0.357 39.412 39.000 0.092 0.000 1.024 1037 F HN 0.013 nan 8.300 nan 0.000 0.548 1038 R N 2.185 122.632 120.500 -0.089 0.000 2.205 1038 R HA 0.228 4.568 4.340 -0.000 0.000 0.342 1038 R C -0.127 175.933 176.300 -0.400 0.000 1.058 1038 R CA -0.183 55.568 56.100 -0.581 0.000 0.904 1038 R CB 0.399 30.350 30.300 -0.580 0.000 1.089 1038 R HN 0.312 nan 8.270 nan 0.000 0.471 1039 Q N 4.617 124.168 119.800 -0.414 0.000 2.454 1039 Q HA 0.068 4.408 4.340 -0.000 0.000 0.247 1039 Q C -1.624 174.219 176.000 -0.262 0.000 1.028 1039 Q CA -1.657 53.987 55.803 -0.265 0.000 0.910 1039 Q CB 0.708 29.310 28.738 -0.226 0.000 1.276 1039 Q HN 0.458 nan 8.270 nan 0.000 0.489 1040 P HA -0.195 nan 4.420 nan 0.000 0.218 1040 P C 0.761 177.993 177.300 -0.113 0.000 1.146 1040 P CA 1.424 64.455 63.100 -0.115 0.000 0.813 1040 P CB 0.094 31.755 31.700 -0.064 0.000 0.778 1041 S N -2.442 113.174 115.700 -0.139 0.000 2.786 1041 S HA 0.079 4.549 4.470 -0.000 0.000 0.223 1041 S C 0.914 175.377 174.600 -0.230 0.000 0.956 1041 S CA 0.376 58.519 58.200 -0.095 0.000 0.961 1041 S CB -1.173 62.012 63.200 -0.025 0.000 0.784 1041 S HN 0.025 nan 8.310 nan 0.000 0.519 1042 S N -0.597 114.929 115.700 -0.291 0.000 3.270 1042 S HA -0.176 4.294 4.470 -0.000 0.000 0.293 1042 S C 0.562 174.816 174.600 -0.577 0.000 1.278 1042 S CA 0.758 58.759 58.200 -0.332 0.000 1.038 1042 S CB -2.163 60.976 63.200 -0.102 0.000 1.218 1042 S HN 1.254 nan 8.310 nan 0.000 0.659 1043 A N -0.393 121.904 122.820 -0.871 0.000 2.326 1043 A HA 0.916 5.236 4.320 -0.000 0.000 0.303 1043 A C -0.321 176.696 177.584 -0.945 0.000 1.164 1043 A CA -0.392 50.989 52.037 -1.092 0.000 0.929 1043 A CB 0.632 18.507 19.000 -1.876 0.000 1.363 1043 A HN 0.273 nan 8.150 nan 0.000 0.498 1044 F N -2.146 117.547 119.950 -0.428 0.000 2.629 1044 F HA 0.756 5.283 4.527 -0.000 0.000 0.316 1044 F C 0.422 176.145 175.800 -0.129 0.000 1.081 1044 F CA 0.301 58.178 58.000 -0.207 0.000 0.954 1044 F CB 2.432 41.334 39.000 -0.163 0.000 1.337 1044 F HN 0.899 nan 8.300 nan 0.000 0.474 1045 A N 0.152 123.060 122.820 0.146 0.000 2.540 1045 A HA 0.692 5.012 4.320 -0.000 0.000 0.291 1045 A C 0.074 177.664 177.584 0.010 0.000 1.083 1045 A CA -0.168 51.921 52.037 0.086 0.000 0.650 1045 A CB 0.340 19.390 19.000 0.083 0.000 1.292 1045 A HN 1.111 nan 8.150 nan 0.000 0.435 1046 A N -0.521 122.258 122.820 -0.069 0.000 1.940 1046 A HA 0.374 4.694 4.320 -0.000 0.000 0.219 1046 A C 0.414 177.592 177.584 -0.676 0.000 1.176 1046 A CA 1.847 53.647 52.037 -0.395 0.000 0.631 1046 A CB -0.504 18.311 19.000 -0.308 0.000 0.814 1046 A HN 0.976 nan 8.150 nan 0.000 0.446 1047 F N -3.484 116.564 119.950 0.164 0.000 2.643 1047 F HA 0.403 4.930 4.527 -0.000 0.000 0.314 1047 F C 1.023 176.924 175.800 0.169 0.000 1.096 1047 F CA -0.403 57.734 58.000 0.229 0.000 0.953 1047 F CB 1.721 40.812 39.000 0.152 0.000 1.345 1047 F HN -0.103 nan 8.300 nan 0.000 0.468 1048 V N -1.347 118.769 119.914 0.337 0.000 3.078 1048 V HA -0.071 4.049 4.120 -0.000 0.000 0.265 1048 V C 1.195 177.360 176.094 0.119 0.000 1.122 1048 V CA 1.567 63.959 62.300 0.153 0.000 1.141 1048 V CB -0.862 31.002 31.823 0.068 0.000 0.735 1048 V HN 0.822 nan 8.190 nan 0.000 0.498 1049 K N 0.253 120.750 120.400 0.162 0.000 2.308 1049 K HA 0.203 4.523 4.320 -0.000 0.000 0.197 1049 K C 1.322 177.991 176.600 0.114 0.000 1.049 1049 K CA -0.273 56.074 56.287 0.101 0.000 0.991 1049 K CB 0.233 32.768 32.500 0.060 0.000 0.836 1049 K HN 0.432 nan 8.250 nan 0.000 0.500 1050 R N 1.648 122.258 120.500 0.184 0.000 2.643 1050 R HA 0.170 4.510 4.340 -0.000 0.000 0.270 1050 R C -0.540 175.835 176.300 0.125 0.000 1.061 1050 R CA -0.087 56.116 56.100 0.171 0.000 1.107 1050 R CB 0.557 31.012 30.300 0.258 0.000 0.999 1050 R HN 0.038 nan 8.270 nan 0.000 0.460 1051 A N 5.643 128.529 122.820 0.111 0.000 2.498 1051 A HA 0.223 4.543 4.320 -0.000 0.000 0.239 1051 A C -2.075 175.580 177.584 0.118 0.000 1.068 1051 A CA -1.094 51.008 52.037 0.109 0.000 0.766 1051 A CB -0.194 18.871 19.000 0.109 0.000 1.003 1051 A HN 0.583 nan 8.150 nan 0.000 0.497 1052 P HA 0.089 nan 4.420 nan 0.000 0.266 1052 P C -0.282 177.142 177.300 0.207 0.000 1.195 1052 P CA 0.315 63.467 63.100 0.087 0.000 0.768 1052 P CB 0.678 32.437 31.700 0.097 0.000 0.838 1053 S N 1.362 117.169 115.700 0.178 0.000 2.437 1053 S HA 0.262 4.732 4.470 -0.000 0.000 0.305 1053 S C 1.186 176.021 174.600 0.392 0.000 1.109 1053 S CA -0.397 57.965 58.200 0.269 0.000 1.099 1053 S CB 0.219 63.554 63.200 0.225 0.000 1.004 1053 S HN 0.344 nan 8.310 nan 0.000 0.475 1054 T N 4.166 119.001 114.554 0.468 0.000 2.821 1054 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 1054 T C 1.181 176.137 174.700 0.427 0.000 1.046 1054 T CA 1.221 63.636 62.100 0.525 0.000 1.139 1054 T CB -0.271 68.824 68.868 0.379 0.000 0.871 1054 T HN 0.856 nan 8.240 nan 0.000 0.454 1055 W N 1.302 122.718 121.300 0.193 0.000 2.408 1055 W HA 0.052 4.712 4.660 -0.000 0.000 0.311 1055 W C 1.919 178.547 176.519 0.181 0.000 1.190 1055 W CA 0.286 57.715 57.345 0.140 0.000 1.321 1055 W CB -0.533 28.917 29.460 -0.018 0.000 1.143 1055 W HN 0.096 nan 8.180 nan 0.000 0.501 1056 L N 0.793 122.305 121.223 0.482 0.000 2.042 1056 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 1056 L C 2.247 179.143 176.870 0.043 0.000 1.076 1056 L CA 2.758 57.758 54.840 0.267 0.000 0.749 1056 L CB -1.342 40.884 42.059 0.278 0.000 0.893 1056 L HN -0.034 nan 8.230 nan 0.000 0.432 1057 T N -0.228 114.398 114.554 0.120 0.000 2.708 1057 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 1057 T C 1.888 176.590 174.700 0.004 0.000 1.037 1057 T CA 1.382 63.544 62.100 0.103 0.000 1.146 1057 T CB -0.523 68.450 68.868 0.174 0.000 0.865 1057 T HN 0.529 nan 8.240 nan 0.000 0.435 1058 A N 0.274 123.114 122.820 0.034 0.000 1.930 1058 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 1058 A C 2.088 179.556 177.584 -0.192 0.000 1.175 1058 A CA 1.341 53.344 52.037 -0.058 0.000 0.627 1058 A CB -0.921 18.072 19.000 -0.012 0.000 0.815 1058 A HN 0.598 nan 8.150 nan 0.000 0.443 1059 Y N 0.491 120.557 120.300 -0.390 0.000 2.242 1059 Y HA -0.137 4.413 4.550 -0.000 0.000 0.291 1059 Y C 2.278 177.937 175.900 -0.402 0.000 1.137 1059 Y CA 1.701 59.514 58.100 -0.479 0.000 1.181 1059 Y CB -0.223 37.753 38.460 -0.806 0.000 0.989 1059 Y HN 0.063 nan 8.280 nan 0.000 0.527 1060 V N -0.805 118.871 119.914 -0.396 0.000 2.392 1060 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 1060 V C 2.284 178.048 176.094 -0.550 0.000 1.059 1060 V CA 1.772 63.706 62.300 -0.609 0.000 1.051 1060 V CB -0.831 30.351 31.823 -1.068 0.000 0.658 1060 V HN 0.353 nan 8.190 nan 0.000 0.455 1061 V N -0.148 119.528 119.914 -0.396 0.000 2.427 1061 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 1061 V C 2.383 178.357 176.094 -0.200 0.000 1.051 1061 V CA 2.225 64.384 62.300 -0.236 0.000 1.048 1061 V CB -0.692 31.038 31.823 -0.155 0.000 0.666 1061 V HN 0.565 nan 8.190 nan 0.000 0.456 1062 K N 0.148 120.342 120.400 -0.344 0.000 2.026 1062 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 1062 K C 2.075 178.496 176.600 -0.299 0.000 1.048 1062 K CA 1.713 57.790 56.287 -0.350 0.000 0.929 1062 K CB -0.136 32.033 32.500 -0.550 0.000 0.713 1062 K HN 0.337 nan 8.250 nan 0.000 0.439 1063 V N 0.832 120.449 119.914 -0.496 0.000 2.323 1063 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 1063 V C 2.132 178.238 176.094 0.020 0.000 1.041 1063 V CA 1.525 63.632 62.300 -0.322 0.000 1.025 1063 V CB -0.583 30.990 31.823 -0.416 0.000 0.656 1063 V HN 0.209 nan 8.190 nan 0.000 0.451 1064 F N 1.063 120.902 119.950 -0.185 0.000 2.171 1064 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 1064 F C 2.635 178.407 175.800 -0.046 0.000 1.090 1064 F CA 1.588 59.548 58.000 -0.065 0.000 1.293 1064 F CB -0.959 38.024 39.000 -0.029 0.000 1.013 1064 F HN 0.062 nan 8.300 nan 0.000 0.486 1065 S N -0.144 115.628 115.700 0.120 0.000 2.515 1065 S HA -0.066 4.404 4.470 -0.000 0.000 0.231 1065 S C 2.013 176.630 174.600 0.028 0.000 0.987 1065 S CA 0.506 58.740 58.200 0.056 0.000 0.936 1065 S CB -0.276 62.935 63.200 0.019 0.000 0.766 1065 S HN 0.385 nan 8.310 nan 0.000 0.528 1066 L N 0.456 121.694 121.223 0.026 0.000 2.357 1066 L HA 0.325 4.665 4.340 -0.000 0.000 0.211 1066 L C 1.872 178.733 176.870 -0.015 0.000 1.075 1066 L CA 0.451 55.285 54.840 -0.009 0.000 0.830 1066 L CB -0.221 41.839 42.059 0.001 0.000 0.996 1066 L HN 0.267 nan 8.230 nan 0.000 0.467 1067 A N -0.693 122.110 122.820 -0.029 0.000 2.302 1067 A HA 0.107 4.427 4.320 -0.000 0.000 0.219 1067 A C 1.849 179.377 177.584 -0.094 0.000 1.243 1067 A CA 0.683 52.677 52.037 -0.072 0.000 0.856 1067 A CB -0.690 18.220 19.000 -0.151 0.000 0.893 1067 A HN 0.374 nan 8.150 nan 0.000 0.491 1068 V N -2.386 117.497 119.914 -0.051 0.000 2.626 1068 V HA -0.134 3.986 4.120 -0.000 0.000 0.252 1068 V C 1.370 177.438 176.094 -0.043 0.000 1.067 1068 V CA 2.056 64.327 62.300 -0.049 0.000 1.081 1068 V CB -0.848 30.969 31.823 -0.010 0.000 0.686 1068 V HN 0.434 nan 8.190 nan 0.000 0.468 1069 N N 0.161 118.850 118.700 -0.020 0.000 2.412 1069 N HA 0.256 4.996 4.740 -0.000 0.000 0.184 1069 N C 1.428 176.924 175.510 -0.023 0.000 1.101 1069 N CA 0.841 53.885 53.050 -0.010 0.000 0.881 1069 N CB 0.254 38.755 38.487 0.024 0.000 0.969 1069 N HN 0.506 nan 8.380 nan 0.000 0.459 1070 L N -0.315 120.884 121.223 -0.040 0.000 2.349 1070 L HA 0.358 4.698 4.340 -0.000 0.000 0.200 1070 L C 1.024 177.837 176.870 -0.096 0.000 1.064 1070 L CA 0.416 55.224 54.840 -0.053 0.000 0.821 1070 L CB 0.008 42.045 42.059 -0.035 0.000 1.027 1070 L HN 0.041 nan 8.230 nan 0.000 0.476 1071 I N -3.375 117.109 120.570 -0.143 0.000 3.457 1071 I HA 0.729 4.899 4.170 -0.000 0.000 0.307 1071 I C -0.577 175.404 176.117 -0.226 0.000 1.138 1071 I CA -1.224 59.958 61.300 -0.197 0.000 0.974 1071 I CB 1.887 39.721 38.000 -0.275 0.000 1.324 1071 I HN -0.201 nan 8.210 nan 0.000 0.485 1072 A N 3.137 125.798 122.820 -0.264 0.000 2.302 1072 A HA 0.626 4.946 4.320 -0.000 0.000 0.295 1072 A C -0.423 176.951 177.584 -0.349 0.000 1.235 1072 A CA -0.329 51.574 52.037 -0.224 0.000 0.876 1072 A CB -0.216 18.698 19.000 -0.144 0.000 1.133 1072 A HN 0.467 nan 8.150 nan 0.000 0.533 1073 I N 2.700 123.150 120.570 -0.201 0.000 2.339 1073 I HA 0.181 4.351 4.170 -0.000 0.000 0.290 1073 I C -0.045 176.131 176.117 0.100 0.000 0.994 1073 I CA -0.658 60.594 61.300 -0.080 0.000 1.191 1073 I CB 1.342 39.354 38.000 0.019 0.000 1.343 1073 I HN 0.621 nan 8.210 nan 0.000 0.458 1074 D N 3.996 124.545 120.400 0.249 0.000 2.401 1074 D HA 0.069 4.709 4.640 -0.000 0.000 0.254 1074 D C 1.024 177.429 176.300 0.175 0.000 1.192 1074 D CA 0.435 54.557 54.000 0.203 0.000 0.885 1074 D CB 1.112 42.056 40.800 0.240 0.000 1.147 1074 D HN 0.416 nan 8.370 nan 0.000 0.478 1075 S N 2.958 118.726 115.700 0.113 0.000 2.402 1075 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 1075 S C 1.717 176.371 174.600 0.090 0.000 1.021 1075 S CA 0.571 58.827 58.200 0.094 0.000 0.974 1075 S CB 0.002 63.240 63.200 0.064 0.000 0.800 1075 S HN 0.570 nan 8.310 nan 0.000 0.484 1076 Q N 0.646 120.497 119.800 0.085 0.000 2.124 1076 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 1076 Q C 2.359 178.403 176.000 0.073 0.000 0.977 1076 Q CA 1.101 56.945 55.803 0.068 0.000 0.850 1076 Q CB -0.516 28.256 28.738 0.056 0.000 0.901 1076 Q HN 0.471 nan 8.270 nan 0.000 0.429 1077 V N 0.557 120.535 119.914 0.106 0.000 2.379 1077 V HA -0.175 3.945 4.120 -0.000 0.000 0.243 1077 V C 2.252 178.414 176.094 0.114 0.000 1.035 1077 V CA 0.993 63.360 62.300 0.111 0.000 1.035 1077 V CB -0.594 31.334 31.823 0.175 0.000 0.673 1077 V HN 0.197 nan 8.190 nan 0.000 0.457 1078 L N 0.278 121.587 121.223 0.144 0.000 2.017 1078 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 1078 L C 2.247 179.163 176.870 0.076 0.000 1.073 1078 L CA 2.205 57.112 54.840 0.112 0.000 0.745 1078 L CB -0.785 41.369 42.059 0.158 0.000 0.894 1078 L HN 0.381 nan 8.230 nan 0.000 0.432 1079 c N -0.363 118.284 118.600 0.079 0.000 2.495 1079 c HA 0.163 4.733 4.570 -0.000 0.000 0.275 1079 c C 2.696 176.834 174.090 0.079 0.000 1.392 1079 c CA 0.120 56.491 56.329 0.069 0.000 1.766 1079 c CB -1.741 40.805 42.510 0.060 0.000 1.933 1079 c HN 0.730 nan 8.230 nan 0.000 0.519 1080 G N 0.887 109.733 108.800 0.076 0.000 2.418 1080 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.217 1080 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.217 1080 G C 1.840 176.807 174.900 0.112 0.000 1.158 1080 G CA 0.977 46.121 45.100 0.073 0.000 0.771 1080 G HN 0.579 nan 8.290 nan 0.000 0.545 1081 A N -0.023 122.864 122.820 0.112 0.000 2.014 1081 A HA 0.206 4.526 4.320 -0.000 0.000 0.218 1081 A C 2.543 180.264 177.584 0.228 0.000 1.163 1081 A CA 1.501 53.640 52.037 0.170 0.000 0.652 1081 A CB -0.327 18.771 19.000 0.163 0.000 0.808 1081 A HN 0.230 nan 8.150 nan 0.000 0.449 1082 V N 0.233 120.236 119.914 0.148 0.000 2.307 1082 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 1082 V C 2.498 178.685 176.094 0.156 0.000 1.045 1082 V CA 2.269 64.645 62.300 0.128 0.000 1.024 1082 V CB -0.585 31.283 31.823 0.074 0.000 0.651 1082 V HN 0.684 nan 8.190 nan 0.000 0.449 1083 K N -1.205 119.285 120.400 0.149 0.000 2.148 1083 K HA -0.253 4.067 4.320 -0.000 0.000 0.204 1083 K C 2.001 178.702 176.600 0.169 0.000 1.050 1083 K CA 1.740 58.106 56.287 0.131 0.000 0.942 1083 K CB -0.248 32.317 32.500 0.107 0.000 0.724 1083 K HN 0.581 nan 8.250 nan 0.000 0.446 1084 W N 1.293 122.620 121.300 0.045 0.000 2.388 1084 W HA -0.102 4.558 4.660 -0.000 0.000 0.294 1084 W C 1.279 177.849 176.519 0.085 0.000 1.212 1084 W CA 1.077 58.451 57.345 0.049 0.000 1.271 1084 W CB -0.022 29.460 29.460 0.037 0.000 1.126 1084 W HN -0.019 nan 8.180 nan 0.000 0.535 1085 L N -0.044 121.315 121.223 0.227 0.000 2.109 1085 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 1085 L C 2.320 179.269 176.870 0.132 0.000 1.086 1085 L CA 1.101 56.032 54.840 0.152 0.000 0.760 1085 L CB -0.699 41.540 42.059 0.300 0.000 0.910 1085 L HN 0.012 nan 8.230 nan 0.000 0.437 1086 I N -0.478 120.159 120.570 0.112 0.000 2.141 1086 I HA -0.255 3.915 4.170 -0.000 0.000 0.236 1086 I C 2.364 178.436 176.117 -0.074 0.000 1.071 1086 I CA 1.244 62.578 61.300 0.056 0.000 1.345 1086 I CB -0.237 37.805 38.000 0.070 0.000 1.066 1086 I HN 0.149 nan 8.210 nan 0.000 0.406 1087 L N 0.100 121.279 121.223 -0.072 0.000 2.027 1087 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 1087 L C 2.683 179.449 176.870 -0.175 0.000 1.074 1087 L CA 1.201 55.982 54.840 -0.098 0.000 0.745 1087 L CB -0.552 41.477 42.059 -0.050 0.000 0.898 1087 L HN 0.260 nan 8.230 nan 0.000 0.433 1088 E N 0.220 120.250 120.200 -0.283 0.000 2.022 1088 E HA -0.015 4.335 4.350 -0.000 0.000 0.190 1088 E C 0.809 177.161 176.600 -0.414 0.000 0.973 1088 E CA 0.797 56.965 56.400 -0.387 0.000 0.816 1088 E CB -0.054 29.257 29.700 -0.648 0.000 0.781 1088 E HN 0.139 nan 8.360 nan 0.000 0.456 1089 K N 1.850 121.915 120.400 -0.558 0.000 2.518 1089 K HA 0.229 4.549 4.320 -0.000 0.000 0.244 1089 K C -0.253 176.131 176.600 -0.360 0.000 1.232 1089 K CA -0.033 56.008 56.287 -0.411 0.000 1.189 1089 K CB 0.245 32.469 32.500 -0.459 0.000 1.737 1089 K HN 0.173 nan 8.250 nan 0.000 0.333 1090 Q N 1.253 120.804 119.800 -0.416 0.000 2.364 1090 Q HA 0.188 4.528 4.340 -0.000 0.000 0.251 1090 Q C -1.255 174.498 176.000 -0.412 0.000 0.927 1090 Q CA -0.470 54.959 55.803 -0.623 0.000 0.924 1090 Q CB 1.593 29.889 28.738 -0.735 0.000 1.419 1090 Q HN 0.176 nan 8.270 nan 0.000 0.427 1091 K N 3.425 123.586 120.400 -0.399 0.000 2.107 1091 K HA 0.266 4.586 4.320 -0.000 0.000 0.251 1091 K C -1.872 174.583 176.600 -0.243 0.000 1.012 1091 K CA -1.698 54.427 56.287 -0.271 0.000 0.920 1091 K CB 0.568 32.921 32.500 -0.245 0.000 1.033 1091 K HN 0.350 nan 8.250 nan 0.000 0.478 1092 P HA -0.133 nan 4.420 nan 0.000 0.222 1092 P C -0.112 177.119 177.300 -0.115 0.000 1.147 1092 P CA 1.146 64.173 63.100 -0.122 0.000 0.790 1092 P CB 0.192 31.841 31.700 -0.084 0.000 0.780 1093 D N -1.394 118.917 120.400 -0.149 0.000 2.312 1093 D HA 0.015 4.655 4.640 -0.000 0.000 0.211 1093 D C 1.771 177.961 176.300 -0.182 0.000 0.964 1093 D CA 1.434 55.349 54.000 -0.142 0.000 0.877 1093 D CB -0.624 40.048 40.800 -0.214 0.000 0.924 1093 D HN 0.195 nan 8.370 nan 0.000 0.515 1094 G N -0.219 108.433 108.800 -0.246 0.000 2.176 1094 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.253 1094 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.253 1094 G C 0.363 175.048 174.900 -0.359 0.000 0.979 1094 G CA 0.251 45.209 45.100 -0.237 0.000 0.641 1094 G HN 0.308 nan 8.290 nan 0.000 0.530 1095 V N 1.326 120.936 119.914 -0.507 0.000 2.555 1095 V HA 0.550 4.670 4.120 -0.000 0.000 0.286 1095 V C 0.404 176.265 176.094 -0.387 0.000 1.044 1095 V CA -0.027 61.987 62.300 -0.477 0.000 1.026 1095 V CB 0.705 32.147 31.823 -0.635 0.000 0.981 1095 V HN 0.201 nan 8.190 nan 0.000 0.480 1096 F N 3.404 123.289 119.950 -0.108 0.000 2.420 1096 F HA 0.516 5.043 4.527 -0.000 0.000 0.342 1096 F C 0.339 176.131 175.800 -0.013 0.000 1.113 1096 F CA -0.230 57.745 58.000 -0.043 0.000 1.059 1096 F CB 1.336 40.350 39.000 0.023 0.000 1.128 1096 F HN 0.440 nan 8.300 nan 0.000 0.475 1097 Q N 2.183 122.050 119.800 0.112 0.000 2.342 1097 Q HA 0.343 4.683 4.340 -0.000 0.000 0.267 1097 Q C -1.137 174.937 176.000 0.122 0.000 1.038 1097 Q CA -1.037 54.816 55.803 0.083 0.000 0.832 1097 Q CB 1.891 30.634 28.738 0.008 0.000 1.323 1097 Q HN 0.601 nan 8.270 nan 0.000 0.448 1098 E N 2.262 122.536 120.200 0.123 0.000 2.194 1098 E HA 0.099 4.449 4.350 -0.000 0.000 0.284 1098 E C -0.802 175.861 176.600 0.106 0.000 1.035 1098 E CA 0.089 56.574 56.400 0.141 0.000 0.836 1098 E CB 0.987 30.762 29.700 0.124 0.000 1.070 1098 E HN 0.585 nan 8.360 nan 0.000 0.401 1099 D N 3.263 123.742 120.400 0.131 0.000 2.414 1099 D HA 0.152 4.792 4.640 -0.000 0.000 0.237 1099 D C -0.179 176.182 176.300 0.101 0.000 0.975 1099 D CA 0.837 54.901 54.000 0.107 0.000 0.917 1099 D CB 0.231 41.105 40.800 0.124 0.000 1.061 1099 D HN 0.398 nan 8.370 nan 0.000 0.480 1100 A N 1.615 124.512 122.820 0.130 0.000 2.802 1100 A HA 0.515 4.835 4.320 -0.000 0.000 0.344 1100 A C -2.579 175.063 177.584 0.098 0.000 1.215 1100 A CA -1.288 50.813 52.037 0.107 0.000 0.821 1100 A CB 0.483 19.556 19.000 0.122 0.000 1.099 1100 A HN -0.116 nan 8.150 nan 0.000 0.479 1101 P HA 0.136 nan 4.420 nan 0.000 0.265 1101 P C 0.591 177.890 177.300 -0.003 0.000 1.187 1101 P CA 0.129 63.233 63.100 0.006 0.000 0.766 1101 P CB 0.592 32.269 31.700 -0.038 0.000 0.820 1102 V N 1.268 121.157 119.914 -0.041 0.000 2.963 1102 V HA -0.001 4.119 4.120 -0.000 0.000 0.306 1102 V C 1.420 177.484 176.094 -0.051 0.000 1.077 1102 V CA 0.107 62.391 62.300 -0.026 0.000 1.124 1102 V CB -0.326 31.466 31.823 -0.052 0.000 0.987 1102 V HN 0.333 nan 8.190 nan 0.000 0.487 1103 I N 1.518 122.075 120.570 -0.021 0.000 2.179 1103 I HA -0.101 4.069 4.170 -0.000 0.000 0.242 1103 I C 1.682 177.700 176.117 -0.165 0.000 1.088 1103 I CA 1.200 62.446 61.300 -0.090 0.000 1.357 1103 I CB -0.874 37.056 38.000 -0.117 0.000 1.051 1103 I HN 0.690 nan 8.210 nan 0.000 0.409 1104 H N 3.401 122.419 119.070 -0.087 0.000 3.291 1104 H HA 0.099 4.655 4.556 -0.000 0.000 0.256 1104 H C 0.511 175.723 175.328 -0.192 0.000 1.315 1104 H CA -0.024 55.957 56.048 -0.112 0.000 1.521 1104 H CB 0.296 29.985 29.762 -0.122 0.000 1.621 1104 H HN 0.360 nan 8.280 nan 0.000 0.498 1105 Q N 1.888 121.632 119.800 -0.094 0.000 2.431 1105 Q HA -0.071 4.269 4.340 -0.000 0.000 0.210 1105 Q C 1.443 177.347 176.000 -0.161 0.000 0.958 1105 Q CA 0.381 56.089 55.803 -0.159 0.000 0.957 1105 Q CB 0.329 29.001 28.738 -0.111 0.000 1.007 1105 Q HN 0.759 nan 8.270 nan 0.000 0.511 1106 E N -0.545 119.557 120.200 -0.164 0.000 2.447 1106 E HA -0.056 4.294 4.350 -0.000 0.000 0.204 1106 E C 1.610 178.076 176.600 -0.223 0.000 0.977 1106 E CA 0.184 56.451 56.400 -0.221 0.000 0.950 1106 E CB -0.226 29.181 29.700 -0.488 0.000 0.975 1106 E HN 0.411 nan 8.360 nan 0.000 0.496 1107 M N 0.561 120.020 119.600 -0.235 0.000 2.556 1107 M HA 0.266 4.746 4.480 -0.000 0.000 0.245 1107 M C 1.947 178.100 176.300 -0.247 0.000 1.128 1107 M CA 0.682 55.861 55.300 -0.202 0.000 1.069 1107 M CB -0.582 31.901 32.600 -0.194 0.000 1.469 1107 M HN 0.075 nan 8.290 nan 0.000 0.494 1108 I N -2.070 118.214 120.570 -0.477 0.000 3.684 1108 I HA 0.476 4.646 4.170 -0.000 0.000 0.304 1108 I C 1.173 177.191 176.117 -0.164 0.000 1.278 1108 I CA 0.208 61.091 61.300 -0.695 0.000 1.272 1108 I CB -0.891 36.424 38.000 -1.141 0.000 1.029 1108 I HN 0.453 nan 8.210 nan 0.000 0.458 1109 G N 2.056 110.851 108.800 -0.008 0.000 2.583 1109 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.292 1109 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.292 1109 G C 0.759 175.727 174.900 0.113 0.000 1.203 1109 G CA 0.113 45.322 45.100 0.182 0.000 0.987 1109 G HN 0.712 nan 8.290 nan 0.000 0.554 1110 G N -0.775 108.028 108.800 0.006 0.000 3.332 1110 G HA2 0.424 4.384 3.960 -0.000 0.000 0.242 1110 G HA3 0.424 4.384 3.960 -0.000 0.000 0.242 1110 G C 0.985 175.406 174.900 -0.798 0.000 1.276 1110 G CA 0.865 45.453 45.100 -0.853 0.000 0.988 1110 G HN 0.536 nan 8.290 nan 0.000 0.517 1111 L N -0.964 120.037 121.223 -0.370 0.000 2.664 1111 L HA 0.370 4.710 4.340 -0.000 0.000 0.233 1111 L C 2.413 179.099 176.870 -0.306 0.000 1.113 1111 L CA 0.146 54.822 54.840 -0.273 0.000 0.896 1111 L CB 0.035 41.966 42.059 -0.214 0.000 1.163 1111 L HN 0.193 nan 8.230 nan 0.000 0.497 1112 R N 0.238 120.533 120.500 -0.341 0.000 2.120 1112 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 1112 R C 0.820 176.981 176.300 -0.232 0.000 1.123 1112 R CA 0.583 56.530 56.100 -0.255 0.000 0.975 1112 R CB 0.039 30.237 30.300 -0.169 0.000 0.866 1112 R HN 0.239 nan 8.270 nan 0.000 0.446 1113 N N 0.956 119.463 118.700 -0.321 0.000 2.497 1113 N HA -0.032 4.708 4.740 -0.000 0.000 0.271 1113 N C -0.448 174.960 175.510 -0.171 0.000 1.142 1113 N CA 0.112 53.016 53.050 -0.243 0.000 0.965 1113 N CB 0.917 39.214 38.487 -0.316 0.000 1.077 1113 N HN 0.104 nan 8.380 nan 0.000 0.462 1114 N N 1.504 120.139 118.700 -0.108 0.000 2.398 1114 N HA -0.049 4.690 4.740 -0.000 0.000 0.188 1114 N C -0.417 175.068 175.510 -0.042 0.000 1.122 1114 N CA 0.097 53.106 53.050 -0.068 0.000 0.866 1114 N CB -0.337 38.120 38.487 -0.049 0.000 0.970 1114 N HN 0.489 nan 8.380 nan 0.000 0.462 1115 N N 2.452 121.121 118.700 -0.052 0.000 2.400 1115 N HA -0.042 4.698 4.740 -0.000 0.000 0.267 1115 N C -0.903 174.605 175.510 -0.005 0.000 1.208 1115 N CA 0.373 53.407 53.050 -0.027 0.000 0.951 1115 N CB -0.393 38.074 38.487 -0.033 0.000 1.227 1115 N HN 0.124 nan 8.380 nan 0.000 0.488 1116 E N 1.060 121.271 120.200 0.017 0.000 2.554 1116 E HA -0.236 4.114 4.350 -0.000 0.000 0.186 1116 E C 0.001 176.641 176.600 0.067 0.000 1.411 1116 E CA 0.236 56.664 56.400 0.047 0.000 0.678 1116 E CB -0.575 29.151 29.700 0.044 0.000 1.130 1116 E HN 0.659 nan 8.360 nan 0.000 0.393 1117 K N 0.741 121.182 120.400 0.069 0.000 2.284 1117 K HA -0.053 4.267 4.320 -0.000 0.000 0.198 1117 K C 1.069 177.748 176.600 0.132 0.000 1.048 1117 K CA 0.774 57.107 56.287 0.077 0.000 0.987 1117 K CB 0.378 32.904 32.500 0.044 0.000 0.800 1117 K HN 0.146 nan 8.250 nan 0.000 0.486 1118 D N 0.626 121.124 120.400 0.164 0.000 2.149 1118 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 1118 D C 1.718 178.237 176.300 0.364 0.000 0.972 1118 D CA 1.031 55.176 54.000 0.242 0.000 0.835 1118 D CB 0.128 41.112 40.800 0.306 0.000 0.966 1118 D HN 0.193 nan 8.370 nan 0.000 0.476 1119 M N 0.030 119.807 119.600 0.294 0.000 2.388 1119 M HA 0.139 4.619 4.480 -0.000 0.000 0.265 1119 M C 2.019 178.447 176.300 0.213 0.000 1.088 1119 M CA 0.390 55.843 55.300 0.256 0.000 1.134 1119 M CB -0.570 32.108 32.600 0.131 0.000 1.384 1119 M HN -0.039 nan 8.290 nan 0.000 0.447 1120 A N 0.009 122.944 122.820 0.191 0.000 1.878 1120 A HA -0.031 4.289 4.320 -0.000 0.000 0.213 1120 A C 2.108 179.832 177.584 0.233 0.000 1.192 1120 A CA 0.799 52.952 52.037 0.192 0.000 0.619 1120 A CB -0.667 18.441 19.000 0.180 0.000 0.837 1120 A HN 0.362 nan 8.150 nan 0.000 0.446 1121 L N -0.161 121.197 121.223 0.226 0.000 2.072 1121 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 1121 L C 2.373 179.401 176.870 0.263 0.000 1.079 1121 L CA 2.702 57.698 54.840 0.261 0.000 0.752 1121 L CB -1.076 41.118 42.059 0.226 0.000 0.906 1121 L HN 0.347 nan 8.230 nan 0.000 0.436 1122 T N -0.003 114.716 114.554 0.274 0.000 2.720 1122 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 1122 T C 1.875 176.680 174.700 0.176 0.000 1.037 1122 T CA 1.422 63.705 62.100 0.305 0.000 1.144 1122 T CB -0.475 68.620 68.868 0.379 0.000 0.864 1122 T HN 0.523 nan 8.240 nan 0.000 0.444 1123 A N 0.787 123.721 122.820 0.190 0.000 1.872 1123 A HA 0.046 4.366 4.320 -0.000 0.000 0.214 1123 A C 2.008 179.651 177.584 0.097 0.000 1.187 1123 A CA 1.125 53.234 52.037 0.121 0.000 0.614 1123 A CB -0.976 18.095 19.000 0.118 0.000 0.826 1123 A HN 0.478 nan 8.150 nan 0.000 0.442 1124 F N 0.819 120.787 119.950 0.030 0.000 2.126 1124 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 1124 F C 2.176 177.940 175.800 -0.059 0.000 1.096 1124 F CA 2.151 60.179 58.000 0.047 0.000 1.255 1124 F CB -0.106 38.975 39.000 0.135 0.000 0.997 1124 F HN 0.038 nan 8.300 nan 0.000 0.479 1125 V N 0.093 120.007 119.914 -0.001 0.000 2.453 1125 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 1125 V C 2.234 178.086 176.094 -0.404 0.000 1.048 1125 V CA 1.409 63.524 62.300 -0.309 0.000 1.049 1125 V CB -0.686 30.730 31.823 -0.679 0.000 0.672 1125 V HN 0.408 nan 8.190 nan 0.000 0.457 1126 L N 0.251 121.286 121.223 -0.314 0.000 2.083 1126 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 1126 L C 2.152 178.921 176.870 -0.168 0.000 1.083 1126 L CA 1.903 56.628 54.840 -0.193 0.000 0.752 1126 L CB -0.518 41.503 42.059 -0.063 0.000 0.899 1126 L HN 0.235 nan 8.230 nan 0.000 0.433 1127 I N -1.258 119.207 120.570 -0.174 0.000 2.226 1127 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 1127 I C 2.295 178.307 176.117 -0.175 0.000 1.100 1127 I CA 1.285 62.485 61.300 -0.167 0.000 1.374 1127 I CB -0.500 37.455 38.000 -0.075 0.000 1.057 1127 I HN 0.184 nan 8.210 nan 0.000 0.413 1128 S N 0.939 116.489 115.700 -0.250 0.000 2.419 1128 S HA -0.075 4.395 4.470 -0.000 0.000 0.233 1128 S C 1.960 176.471 174.600 -0.149 0.000 1.016 1128 S CA 1.133 59.193 58.200 -0.234 0.000 0.974 1128 S CB -0.242 62.775 63.200 -0.305 0.000 0.786 1128 S HN 0.358 nan 8.310 nan 0.000 0.492 1129 L N 0.916 122.055 121.223 -0.139 0.000 2.095 1129 L HA -0.049 4.291 4.340 -0.000 0.000 0.204 1129 L C 2.577 179.409 176.870 -0.063 0.000 1.080 1129 L CA 0.979 55.771 54.840 -0.081 0.000 0.759 1129 L CB -0.517 41.503 42.059 -0.065 0.000 0.914 1129 L HN 0.310 nan 8.230 nan 0.000 0.439 1130 Q N 0.059 119.809 119.800 -0.084 0.000 2.230 1130 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 1130 Q C 1.554 177.517 176.000 -0.062 0.000 0.963 1130 Q CA 0.937 56.694 55.803 -0.077 0.000 0.866 1130 Q CB 0.052 28.720 28.738 -0.116 0.000 0.931 1130 Q HN 0.540 nan 8.270 nan 0.000 0.452 1131 E N -0.112 120.051 120.200 -0.061 0.000 2.502 1131 E HA 0.031 4.381 4.350 -0.000 0.000 0.194 1131 E C 0.727 177.314 176.600 -0.022 0.000 1.062 1131 E CA 0.344 56.724 56.400 -0.033 0.000 0.867 1131 E CB 0.376 30.062 29.700 -0.024 0.000 0.888 1131 E HN 0.231 nan 8.360 nan 0.000 0.510 1132 A N 0.654 123.459 122.820 -0.026 0.000 2.603 1132 A HA 0.120 4.440 4.320 -0.000 0.000 0.277 1132 A C 1.545 179.127 177.584 -0.002 0.000 1.158 1132 A CA -0.359 51.674 52.037 -0.007 0.000 0.962 1132 A CB 0.170 19.166 19.000 -0.007 0.000 1.189 1132 A HN -0.023 nan 8.150 nan 0.000 0.552 1133 K N 0.493 120.887 120.400 -0.011 0.000 2.097 1133 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 1133 K C 0.486 177.086 176.600 -0.000 0.000 1.050 1133 K CA 1.692 57.975 56.287 -0.007 0.000 0.938 1133 K CB -0.018 32.471 32.500 -0.017 0.000 0.718 1133 K HN 0.278 nan 8.250 nan 0.000 0.442 1134 D N 0.361 120.761 120.400 -0.000 0.000 2.348 1134 D HA -0.048 4.592 4.640 -0.000 0.000 0.216 1134 D C 1.565 177.871 176.300 0.009 0.000 0.970 1134 D CA 0.774 54.776 54.000 0.003 0.000 0.889 1134 D CB 0.192 40.993 40.800 0.003 0.000 0.912 1134 D HN 0.357 nan 8.370 nan 0.000 0.524 1135 I N -0.778 119.800 120.570 0.014 0.000 2.947 1135 I HA -0.030 4.140 4.170 -0.000 0.000 0.263 1135 I C 0.843 176.974 176.117 0.024 0.000 1.130 1135 I CA 0.353 61.666 61.300 0.021 0.000 1.448 1135 I CB 0.437 38.454 38.000 0.029 0.000 1.222 1135 I HN -0.126 nan 8.210 nan 0.000 0.453 1136 c N 1.825 120.440 118.600 0.024 0.000 2.534 1136 c HA 0.163 4.733 4.570 -0.000 0.000 0.435 1136 c C 1.698 175.801 174.090 0.021 0.000 1.329 1136 c CA -0.265 56.081 56.329 0.028 0.000 1.675 1136 c CB -1.822 40.709 42.510 0.034 0.000 2.384 1136 c HN 0.436 nan 8.230 nan 0.000 0.605 1137 E N 0.486 120.697 120.200 0.017 0.000 2.476 1137 E HA -0.022 4.328 4.350 -0.000 0.000 0.199 1137 E C 1.822 178.429 176.600 0.013 0.000 1.021 1137 E CA 0.417 56.825 56.400 0.013 0.000 0.907 1137 E CB 0.435 30.140 29.700 0.008 0.000 0.974 1137 E HN 0.606 nan 8.360 nan 0.000 0.489 1138 E N -0.047 120.162 120.200 0.016 0.000 2.332 1138 E HA 0.015 4.365 4.350 -0.000 0.000 0.202 1138 E C 1.581 178.192 176.600 0.018 0.000 0.877 1138 E CA 0.681 57.090 56.400 0.015 0.000 0.979 1138 E CB 0.233 29.942 29.700 0.015 0.000 0.969 1138 E HN 0.125 nan 8.360 nan 0.000 0.495 1139 Q N -0.446 119.368 119.800 0.023 0.000 2.250 1139 Q HA 0.175 4.515 4.340 -0.000 0.000 0.200 1139 Q C -0.202 175.814 176.000 0.028 0.000 0.941 1139 Q CA 0.616 56.435 55.803 0.026 0.000 0.872 1139 Q CB 1.093 29.850 28.738 0.033 0.000 0.965 1139 Q HN 0.033 nan 8.270 nan 0.000 0.480 1140 V N 2.724 122.655 119.914 0.029 0.000 2.311 1140 V HA 0.101 4.221 4.120 -0.000 0.000 0.275 1140 V C 0.050 176.158 176.094 0.023 0.000 1.022 1140 V CA -0.434 61.884 62.300 0.030 0.000 0.830 1140 V CB 1.276 33.121 31.823 0.038 0.000 1.012 1140 V HN 0.246 nan 8.190 nan 0.000 0.452 1141 N N 2.511 121.222 118.700 0.019 0.000 2.354 1141 N HA -0.087 4.653 4.740 -0.000 0.000 0.179 1141 N C 1.770 177.287 175.510 0.012 0.000 1.021 1141 N CA 1.216 54.274 53.050 0.013 0.000 0.887 1141 N CB 0.063 38.556 38.487 0.010 0.000 0.974 1141 N HN 0.721 nan 8.380 nan 0.000 0.437 1142 S N -0.072 115.637 115.700 0.014 0.000 2.710 1142 S HA 0.142 4.612 4.470 -0.000 0.000 0.224 1142 S C 1.506 176.118 174.600 0.020 0.000 0.948 1142 S CA -0.350 57.857 58.200 0.012 0.000 0.949 1142 S CB -0.166 63.039 63.200 0.007 0.000 0.778 1142 S HN 0.089 nan 8.310 nan 0.000 0.498 1143 L N 2.393 123.629 121.223 0.023 0.000 2.049 1143 L HA 0.283 4.623 4.340 -0.000 0.000 0.203 1143 L C -1.269 175.614 176.870 0.022 0.000 1.074 1143 L CA 1.301 56.158 54.840 0.028 0.000 0.749 1143 L CB -1.277 40.796 42.059 0.024 0.000 0.907 1143 L HN 0.097 nan 8.230 nan 0.000 0.439 1144 P HA -0.080 nan 4.420 nan 0.000 0.219 1144 P C 1.507 178.812 177.300 0.008 0.000 1.146 1144 P CA 1.661 64.765 63.100 0.007 0.000 0.808 1144 P CB -0.312 31.390 31.700 0.003 0.000 0.779 1145 G N -0.858 107.948 108.800 0.010 0.000 2.396 1145 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.214 1145 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.214 1145 G C 1.837 176.746 174.900 0.015 0.000 1.166 1145 G CA 0.868 45.972 45.100 0.007 0.000 0.793 1145 G HN 0.292 nan 8.290 nan 0.000 0.533 1146 S N 0.242 115.958 115.700 0.027 0.000 2.368 1146 S HA -0.041 4.429 4.470 -0.000 0.000 0.225 1146 S C 2.423 177.072 174.600 0.081 0.000 1.030 1146 S CA 0.953 59.185 58.200 0.053 0.000 0.999 1146 S CB -0.299 62.955 63.200 0.089 0.000 0.844 1146 S HN 0.349 nan 8.310 nan 0.000 0.459 1147 I N 1.104 121.709 120.570 0.059 0.000 2.264 1147 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 1147 I C 2.486 178.624 176.117 0.036 0.000 1.111 1147 I CA 1.493 62.820 61.300 0.044 0.000 1.382 1147 I CB -0.803 37.203 38.000 0.010 0.000 1.060 1147 I HN 0.341 nan 8.210 nan 0.000 0.418 1148 T N 0.559 115.128 114.554 0.025 0.000 2.821 1148 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 1148 T C 1.953 176.674 174.700 0.034 0.000 1.046 1148 T CA 0.859 62.970 62.100 0.018 0.000 1.139 1148 T CB -0.029 68.844 68.868 0.008 0.000 0.871 1148 T HN 0.171 nan 8.240 nan 0.000 0.454 1149 K N 1.836 122.259 120.400 0.038 0.000 1.991 1149 K HA 0.054 4.374 4.320 -0.000 0.000 0.212 1149 K C 2.659 179.312 176.600 0.088 0.000 1.049 1149 K CA 1.502 57.814 56.287 0.041 0.000 0.932 1149 K CB -1.032 31.469 32.500 0.002 0.000 0.717 1149 K HN 0.355 nan 8.250 nan 0.000 0.441 1150 A N 1.053 123.948 122.820 0.125 0.000 1.978 1150 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 1150 A C 2.469 180.165 177.584 0.188 0.000 1.170 1150 A CA 2.181 54.342 52.037 0.207 0.000 0.636 1150 A CB -1.078 18.101 19.000 0.298 0.000 0.810 1150 A HN 0.434 nan 8.150 nan 0.000 0.448 1151 G N -0.373 108.490 108.800 0.105 0.000 2.408 1151 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 1151 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 1151 G C 1.047 175.982 174.900 0.058 0.000 1.150 1151 G CA 1.118 46.250 45.100 0.054 0.000 0.776 1151 G HN 0.472 nan 8.290 nan 0.000 0.542 1152 D N -0.159 120.289 120.400 0.080 0.000 2.178 1152 D HA -0.070 4.570 4.640 -0.000 0.000 0.202 1152 D C 1.824 178.193 176.300 0.114 0.000 0.974 1152 D CA 0.354 54.398 54.000 0.073 0.000 0.841 1152 D CB -0.252 40.589 40.800 0.069 0.000 0.953 1152 D HN 0.349 nan 8.370 nan 0.000 0.478 1153 F N 0.888 120.852 119.950 0.024 0.000 2.234 1153 F HA 0.056 4.583 4.527 -0.000 0.000 0.296 1153 F C 1.892 177.725 175.800 0.054 0.000 1.089 1153 F CA 0.770 58.792 58.000 0.036 0.000 1.343 1153 F CB -0.071 38.955 39.000 0.043 0.000 1.040 1153 F HN -0.149 nan 8.300 nan 0.000 0.498 1154 L N 0.004 121.253 121.223 0.043 0.000 2.291 1154 L HA -0.104 4.236 4.340 -0.000 0.000 0.214 1154 L C 2.181 179.025 176.870 -0.043 0.000 1.120 1154 L CA 1.324 56.151 54.840 -0.022 0.000 0.799 1154 L CB -0.641 41.471 42.059 0.087 0.000 0.925 1154 L HN 0.224 nan 8.230 nan 0.000 0.446 1155 E N 0.378 120.546 120.200 -0.053 0.000 2.481 1155 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 1155 E C 1.894 178.469 176.600 -0.042 0.000 1.047 1155 E CA 0.606 56.974 56.400 -0.054 0.000 0.867 1155 E CB 0.279 29.943 29.700 -0.060 0.000 0.858 1155 E HN 0.430 nan 8.360 nan 0.000 0.513 1156 A N 0.546 123.309 122.820 -0.095 0.000 2.169 1156 A HA 0.098 4.418 4.320 -0.000 0.000 0.210 1156 A C 1.138 178.647 177.584 -0.124 0.000 1.168 1156 A CA 0.100 52.077 52.037 -0.099 0.000 0.813 1156 A CB 0.313 19.250 19.000 -0.105 0.000 0.861 1156 A HN 0.113 nan 8.150 nan 0.000 0.481 1157 N N -1.789 116.803 118.700 -0.179 0.000 2.299 1157 N HA 0.132 4.872 4.740 -0.000 0.000 0.246 1157 N C 0.220 175.699 175.510 -0.053 0.000 1.254 1157 N CA -0.137 52.818 53.050 -0.158 0.000 0.879 1157 N CB 0.122 38.423 38.487 -0.309 0.000 1.214 1157 N HN 0.507 nan 8.380 nan 0.000 0.510 1158 Y N 0.868 121.106 120.300 -0.104 0.000 2.519 1158 Y HA 0.166 4.716 4.550 -0.000 0.000 0.287 1158 Y C 1.598 177.487 175.900 -0.019 0.000 1.128 1158 Y CA 0.917 58.987 58.100 -0.049 0.000 1.282 1158 Y CB 0.396 38.831 38.460 -0.041 0.000 1.027 1158 Y HN -0.080 nan 8.280 nan 0.000 0.551 1159 M N -0.377 119.253 119.600 0.049 0.000 2.495 1159 M HA 0.067 4.547 4.480 -0.000 0.000 0.237 1159 M C 0.374 176.650 176.300 -0.039 0.000 1.131 1159 M CA 0.559 55.866 55.300 0.012 0.000 1.032 1159 M CB -0.377 32.247 32.600 0.040 0.000 1.513 1159 M HN 0.248 nan 8.290 nan 0.000 0.488 1160 N N 0.252 118.915 118.700 -0.062 0.000 2.250 1160 N HA 0.242 4.982 4.740 -0.000 0.000 0.190 1160 N C 0.396 175.863 175.510 -0.073 0.000 1.116 1160 N CA 0.068 53.084 53.050 -0.056 0.000 0.881 1160 N CB 0.737 39.197 38.487 -0.046 0.000 1.006 1160 N HN 0.294 nan 8.380 nan 0.000 0.491 1161 L N 1.021 122.172 121.223 -0.121 0.000 2.483 1161 L HA -0.001 4.339 4.340 -0.000 0.000 0.276 1161 L C 1.428 178.245 176.870 -0.088 0.000 1.213 1161 L CA 0.263 55.031 54.840 -0.120 0.000 0.843 1161 L CB 0.576 42.507 42.059 -0.214 0.000 1.107 1161 L HN 0.023 nan 8.230 nan 0.000 0.487 1162 Q N 1.591 121.361 119.800 -0.050 0.000 2.644 1162 Q HA 0.201 4.541 4.340 -0.000 0.000 0.220 1162 Q C 0.302 176.297 176.000 -0.009 0.000 0.866 1162 Q CA 0.331 56.116 55.803 -0.030 0.000 0.915 1162 Q CB 0.217 28.944 28.738 -0.019 0.000 1.191 1162 Q HN 0.519 nan 8.270 nan 0.000 0.641 1163 R N 1.254 121.762 120.500 0.013 0.000 2.585 1163 R HA 0.116 4.456 4.340 -0.000 0.000 0.275 1163 R C 1.303 177.655 176.300 0.087 0.000 1.018 1163 R CA 0.091 56.222 56.100 0.052 0.000 1.072 1163 R CB 0.375 30.716 30.300 0.067 0.000 0.953 1163 R HN 0.109 nan 8.270 nan 0.000 0.419 1164 S N 1.971 117.743 115.700 0.119 0.000 2.419 1164 S HA -0.191 4.279 4.470 -0.000 0.000 0.233 1164 S C 1.441 176.187 174.600 0.244 0.000 1.016 1164 S CA 1.003 59.315 58.200 0.187 0.000 0.974 1164 S CB -0.257 63.047 63.200 0.172 0.000 0.786 1164 S HN 0.650 nan 8.310 nan 0.000 0.492 1165 Y N 2.693 123.055 120.300 0.103 0.000 2.070 1165 Y HA -0.231 4.319 4.550 -0.000 0.000 0.279 1165 Y C 2.620 178.543 175.900 0.038 0.000 1.134 1165 Y CA 2.103 60.252 58.100 0.081 0.000 1.113 1165 Y CB -1.015 37.469 38.460 0.041 0.000 0.981 1165 Y HN 0.154 nan 8.280 nan 0.000 0.487 1166 T N -0.042 114.628 114.554 0.193 0.000 2.737 1166 T HA -0.205 4.145 4.350 -0.000 0.000 0.269 1166 T C 1.999 176.697 174.700 -0.004 0.000 1.040 1166 T CA 1.671 63.816 62.100 0.075 0.000 1.142 1166 T CB -0.764 68.166 68.868 0.104 0.000 0.861 1166 T HN 0.250 nan 8.240 nan 0.000 0.456 1167 V N 1.415 121.332 119.914 0.005 0.000 2.490 1167 V HA -0.173 3.947 4.120 -0.000 0.000 0.250 1167 V C 2.763 178.983 176.094 0.210 0.000 1.061 1167 V CA 1.668 63.971 62.300 0.004 0.000 1.064 1167 V CB -1.123 30.719 31.823 0.031 0.000 0.670 1167 V HN 0.551 nan 8.190 nan 0.000 0.461 1168 A N -0.228 122.620 122.820 0.048 0.000 1.855 1168 A HA -0.086 4.234 4.320 -0.000 0.000 0.213 1168 A C 2.230 179.802 177.584 -0.020 0.000 1.195 1168 A CA 1.576 53.602 52.037 -0.019 0.000 0.610 1168 A CB -0.498 18.333 19.000 -0.282 0.000 0.837 1168 A HN 0.448 nan 8.150 nan 0.000 0.444 1169 I N -0.563 119.832 120.570 -0.291 0.000 2.361 1169 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 1169 I C 2.432 178.513 176.117 -0.060 0.000 1.133 1169 I CA 1.321 62.366 61.300 -0.425 0.000 1.413 1169 I CB -0.052 37.509 38.000 -0.732 0.000 1.073 1169 I HN 0.329 nan 8.210 nan 0.000 0.424 1170 A N 0.235 123.087 122.820 0.052 0.000 1.935 1170 A HA 0.052 4.372 4.320 -0.000 0.000 0.214 1170 A C 2.327 179.972 177.584 0.101 0.000 1.178 1170 A CA 1.066 53.192 52.037 0.149 0.000 0.640 1170 A CB -1.263 17.910 19.000 0.289 0.000 0.825 1170 A HN 0.469 nan 8.150 nan 0.000 0.447 1171 G N -1.438 107.471 108.800 0.181 0.000 2.422 1171 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 1171 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 1171 G C 1.511 176.232 174.900 -0.297 0.000 1.146 1171 G CA 1.315 46.296 45.100 -0.197 0.000 0.769 1171 G HN 0.583 nan 8.290 nan 0.000 0.547 1172 Y N 1.993 122.167 120.300 -0.210 0.000 2.373 1172 Y HA 0.225 4.775 4.550 -0.000 0.000 0.293 1172 Y C 2.670 178.507 175.900 -0.105 0.000 1.129 1172 Y CA 0.630 58.644 58.100 -0.143 0.000 1.226 1172 Y CB -0.260 38.223 38.460 0.039 0.000 1.000 1172 Y HN 0.228 nan 8.280 nan 0.000 0.549 1173 A N 0.072 122.759 122.820 -0.222 0.000 1.929 1173 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 1173 A C 2.160 179.589 177.584 -0.258 0.000 1.176 1173 A CA 1.481 53.354 52.037 -0.274 0.000 0.628 1173 A CB -0.851 18.084 19.000 -0.109 0.000 0.816 1173 A HN 0.501 nan 8.150 nan 0.000 0.444 1174 L N -1.051 120.021 121.223 -0.252 0.000 2.270 1174 L HA -0.020 4.320 4.340 -0.000 0.000 0.210 1174 L C 2.933 179.642 176.870 -0.268 0.000 1.104 1174 L CA 0.706 55.390 54.840 -0.260 0.000 0.804 1174 L CB -0.448 41.405 42.059 -0.344 0.000 0.937 1174 L HN 0.399 nan 8.230 nan 0.000 0.450 1175 A N -0.153 122.484 122.820 -0.304 0.000 1.930 1175 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 1175 A C 2.146 179.603 177.584 -0.212 0.000 1.175 1175 A CA 1.204 53.085 52.037 -0.260 0.000 0.627 1175 A CB -0.361 18.491 19.000 -0.246 0.000 0.815 1175 A HN 0.457 nan 8.150 nan 0.000 0.443 1176 Q N -1.178 118.459 119.800 -0.271 0.000 2.500 1176 Q HA 0.066 4.406 4.340 -0.000 0.000 0.213 1176 Q C 1.468 177.373 176.000 -0.158 0.000 0.974 1176 Q CA 0.909 56.576 55.803 -0.228 0.000 0.918 1176 Q CB -0.128 28.417 28.738 -0.321 0.000 0.980 1176 Q HN 0.745 nan 8.270 nan 0.000 0.505 1177 M N -2.168 117.340 119.600 -0.154 0.000 2.331 1177 M HA 0.209 4.689 4.480 -0.000 0.000 0.266 1177 M C 0.950 177.190 176.300 -0.101 0.000 1.055 1177 M CA 0.485 55.717 55.300 -0.113 0.000 1.048 1177 M CB 1.094 33.630 32.600 -0.108 0.000 1.460 1177 M HN 0.251 nan 8.290 nan 0.000 0.519 1178 G N 2.022 110.751 108.800 -0.119 0.000 2.143 1178 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.248 1178 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.248 1178 G C 0.503 175.338 174.900 -0.108 0.000 0.991 1178 G CA 0.136 45.174 45.100 -0.104 0.000 0.689 1178 G HN 0.512 nan 8.290 nan 0.000 0.522 1179 R N -0.929 119.492 120.500 -0.131 0.000 2.480 1179 R HA 0.352 4.692 4.340 -0.000 0.000 0.277 1179 R C 0.443 176.638 176.300 -0.175 0.000 1.008 1179 R CA -0.311 55.712 56.100 -0.129 0.000 1.090 1179 R CB 0.326 30.557 30.300 -0.115 0.000 1.234 1179 R HN 0.265 nan 8.270 nan 0.000 0.549 1180 L N 1.618 122.723 121.223 -0.197 0.000 2.589 1180 L HA 0.309 4.649 4.340 -0.000 0.000 0.244 1180 L C -0.787 175.987 176.870 -0.159 0.000 1.159 1180 L CA 0.023 54.715 54.840 -0.246 0.000 1.074 1180 L CB -0.084 41.774 42.059 -0.334 0.000 1.391 1180 L HN -0.073 nan 8.230 nan 0.000 0.423 1181 K N 0.920 121.251 120.400 -0.116 0.000 2.395 1181 K HA 0.873 5.193 4.320 -0.000 0.000 0.245 1181 K C 0.461 177.036 176.600 -0.041 0.000 1.017 1181 K CA -0.616 55.631 56.287 -0.067 0.000 0.852 1181 K CB 1.523 33.990 32.500 -0.055 0.000 1.311 1181 K HN 0.359 nan 8.250 nan 0.000 0.452 1182 G N 0.990 109.778 108.800 -0.020 0.000 2.583 1182 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.292 1182 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.292 1182 G C -1.789 173.120 174.900 0.014 0.000 1.203 1182 G CA 0.136 45.234 45.100 -0.004 0.000 0.987 1182 G HN 0.512 nan 8.290 nan 0.000 0.554 1183 P HA 0.015 nan 4.420 nan 0.000 0.215 1183 P C 2.284 179.638 177.300 0.091 0.000 1.153 1183 P CA 1.578 64.706 63.100 0.048 0.000 0.853 1183 P CB -0.131 31.594 31.700 0.042 0.000 0.788 1184 L N -1.531 119.741 121.223 0.082 0.000 2.083 1184 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 1184 L C 2.338 179.296 176.870 0.147 0.000 1.083 1184 L CA 1.512 56.434 54.840 0.137 0.000 0.752 1184 L CB -1.680 40.327 42.059 -0.087 0.000 0.899 1184 L HN -0.026 nan 8.230 nan 0.000 0.433 1185 L N -0.390 120.866 121.223 0.056 0.000 2.109 1185 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 1185 L C 2.246 179.204 176.870 0.147 0.000 1.086 1185 L CA 1.468 56.355 54.840 0.079 0.000 0.760 1185 L CB -0.831 41.234 42.059 0.009 0.000 0.910 1185 L HN 0.314 nan 8.230 nan 0.000 0.437 1186 N N 0.106 118.867 118.700 0.101 0.000 2.188 1186 N HA -0.244 4.496 4.740 -0.000 0.000 0.184 1186 N C 1.918 177.484 175.510 0.093 0.000 1.018 1186 N CA 1.620 54.712 53.050 0.071 0.000 0.858 1186 N CB -0.108 38.405 38.487 0.044 0.000 0.989 1186 N HN 0.456 nan 8.380 nan 0.000 0.426 1187 K N -1.004 119.491 120.400 0.158 0.000 2.103 1187 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 1187 K C 1.955 178.686 176.600 0.219 0.000 1.052 1187 K CA 0.729 57.106 56.287 0.150 0.000 0.945 1187 K CB -0.350 32.239 32.500 0.149 0.000 0.722 1187 K HN 0.183 nan 8.250 nan 0.000 0.443 1188 F N 1.571 121.657 119.950 0.226 0.000 2.216 1188 F HA -0.131 4.396 4.527 -0.000 0.000 0.300 1188 F C 1.410 177.390 175.800 0.300 0.000 1.085 1188 F CA 1.270 59.452 58.000 0.302 0.000 1.326 1188 F CB 0.073 39.232 39.000 0.265 0.000 1.027 1188 F HN -0.029 nan 8.300 nan 0.000 0.497 1189 L N -0.492 120.743 121.223 0.020 0.000 2.162 1189 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 1189 L C 2.517 179.224 176.870 -0.272 0.000 1.086 1189 L CA 1.418 56.094 54.840 -0.274 0.000 0.778 1189 L CB -1.105 40.770 42.059 -0.307 0.000 0.928 1189 L HN 0.231 nan 8.230 nan 0.000 0.446 1190 T N -5.015 109.456 114.554 -0.139 0.000 3.023 1190 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 1190 T C 1.749 176.338 174.700 -0.184 0.000 1.093 1190 T CA 1.126 63.147 62.100 -0.132 0.000 1.129 1190 T CB -0.421 68.407 68.868 -0.067 0.000 0.899 1190 T HN 0.099 nan 8.240 nan 0.000 0.491 1191 T N 2.426 116.876 114.554 -0.175 0.000 2.803 1191 T HA 0.184 4.534 4.350 -0.000 0.000 0.269 1191 T C 1.143 175.544 174.700 -0.499 0.000 1.052 1191 T CA 0.932 62.911 62.100 -0.202 0.000 1.136 1191 T CB -0.668 68.202 68.868 0.003 0.000 0.864 1191 T HN 0.723 nan 8.240 nan 0.000 0.467 1192 A N 2.094 124.358 122.820 -0.927 0.000 2.491 1192 A HA 0.295 4.615 4.320 -0.000 0.000 0.261 1192 A C 0.343 177.540 177.584 -0.645 0.000 1.101 1192 A CA -0.198 51.060 52.037 -1.299 0.000 0.772 1192 A CB -0.059 17.781 19.000 -1.933 0.000 1.043 1192 A HN 0.364 nan 8.150 nan 0.000 0.501 1193 K N 2.499 122.581 120.400 -0.530 0.000 2.339 1193 K HA 0.210 4.529 4.320 -0.000 0.000 0.286 1193 K C -0.561 175.838 176.600 -0.335 0.000 1.050 1193 K CA -0.020 56.065 56.287 -0.337 0.000 0.956 1193 K CB 0.222 32.569 32.500 -0.254 0.000 0.990 1193 K HN 0.737 nan 8.250 nan 0.000 0.475 1194 D N 3.231 123.490 120.400 -0.236 0.000 3.079 1194 D HA -0.191 4.449 4.640 -0.000 0.000 0.214 1194 D C -0.765 175.383 176.300 -0.253 0.000 1.145 1194 D CA 1.284 55.161 54.000 -0.205 0.000 0.958 1194 D CB -0.893 39.794 40.800 -0.188 0.000 1.117 1194 D HN 0.889 nan 8.370 nan 0.000 0.416 1195 K N -1.188 119.043 120.400 -0.282 0.000 3.096 1195 K HA -0.273 4.047 4.320 -0.000 0.000 0.266 1195 K C 0.477 176.743 176.600 -0.556 0.000 1.043 1195 K CA 1.233 57.342 56.287 -0.298 0.000 0.758 1195 K CB -1.455 30.918 32.500 -0.212 0.000 1.260 1195 K HN 0.576 nan 8.250 nan 0.000 0.481 1196 N N -0.611 117.766 118.700 -0.538 0.000 1.938 1196 N HA -0.002 4.738 4.740 -0.000 0.000 0.225 1196 N C -0.403 174.694 175.510 -0.689 0.000 1.400 1196 N CA -0.194 52.561 53.050 -0.490 0.000 0.772 1196 N CB 0.456 38.727 38.487 -0.359 0.000 1.124 1196 N HN 0.459 nan 8.380 nan 0.000 0.513 1197 R N -1.334 118.663 120.500 -0.839 0.000 2.634 1197 R HA 0.292 4.632 4.340 -0.000 0.000 0.263 1197 R C -1.815 174.120 176.300 -0.608 0.000 1.060 1197 R CA -0.768 54.789 56.100 -0.905 0.000 0.898 1197 R CB 0.415 29.629 30.300 -1.810 0.000 1.253 1197 R HN -0.025 nan 8.270 nan 0.000 0.461 1198 W N 3.586 124.689 121.300 -0.329 0.000 2.243 1198 W HA 0.217 4.877 4.660 -0.000 0.000 0.331 1198 W C -0.316 176.161 176.519 -0.071 0.000 0.895 1198 W CA -0.310 56.938 57.345 -0.161 0.000 1.580 1198 W CB 1.153 30.557 29.460 -0.093 0.000 1.568 1198 W HN 0.695 nan 8.180 nan 0.000 0.372 1199 E N 0.872 121.084 120.200 0.021 0.000 2.227 1199 E HA 0.491 4.841 4.350 -0.000 0.000 0.268 1199 E C -0.830 175.827 176.600 0.095 0.000 0.990 1199 E CA -0.684 55.766 56.400 0.083 0.000 0.856 1199 E CB 1.988 31.706 29.700 0.030 0.000 1.159 1199 E HN -0.049 nan 8.360 nan 0.000 0.401 1200 D N 1.519 121.998 120.400 0.132 0.000 2.671 1200 D HA 0.281 4.921 4.640 -0.000 0.000 0.232 1200 D C -2.541 173.817 176.300 0.096 0.000 1.114 1200 D CA -1.930 52.135 54.000 0.108 0.000 0.858 1200 D CB 1.874 42.753 40.800 0.132 0.000 1.544 1200 D HN 0.253 nan 8.370 nan 0.000 0.471 1201 P HA 0.319 nan 4.420 nan 0.000 0.254 1201 P C -0.175 177.168 177.300 0.071 0.000 1.186 1201 P CA 0.509 63.641 63.100 0.053 0.000 0.868 1201 P CB -0.010 31.710 31.700 0.033 0.000 0.856 1202 G N 1.875 110.721 108.800 0.077 0.000 2.764 1202 G HA2 0.224 4.184 3.960 -0.000 0.000 0.678 1202 G HA3 0.224 4.184 3.960 -0.000 0.000 0.678 1202 G C -1.415 173.533 174.900 0.081 0.000 1.341 1202 G CA -1.116 44.032 45.100 0.080 0.000 0.836 1202 G HN 0.402 nan 8.290 nan 0.000 0.632 1203 K N -0.170 120.227 120.400 -0.005 0.000 1.857 1203 K HA -0.164 4.156 4.320 -0.000 0.000 0.673 1203 K C 1.134 177.660 176.600 -0.123 0.000 2.567 1203 K CA 1.379 57.581 56.287 -0.141 0.000 1.857 1203 K CB -0.890 31.347 32.500 -0.438 0.000 2.792 1203 K HN 0.921 nan 8.250 nan 0.000 0.151 1204 Q N 0.060 119.752 119.800 -0.180 0.000 2.387 1204 Q HA 0.084 4.424 4.340 -0.000 0.000 0.212 1204 Q C 1.927 177.815 176.000 -0.186 0.000 0.925 1204 Q CA 0.545 56.269 55.803 -0.132 0.000 0.901 1204 Q CB 0.027 28.694 28.738 -0.118 0.000 1.020 1204 Q HN 0.445 nan 8.270 nan 0.000 0.545 1205 L N 0.483 121.527 121.223 -0.297 0.000 2.051 1205 L HA -0.234 4.106 4.340 -0.000 0.000 0.214 1205 L C 1.662 178.510 176.870 -0.036 0.000 1.076 1205 L CA 1.903 56.594 54.840 -0.249 0.000 0.758 1205 L CB -0.400 41.454 42.059 -0.342 0.000 0.890 1205 L HN 0.185 nan 8.230 nan 0.000 0.433 1206 Y N -0.821 119.504 120.300 0.042 0.000 2.457 1206 Y HA 0.006 4.556 4.550 -0.000 0.000 0.292 1206 Y C 2.382 178.419 175.900 0.228 0.000 1.125 1206 Y CA 0.551 58.704 58.100 0.088 0.000 1.254 1206 Y CB -1.048 37.379 38.460 -0.054 0.000 1.012 1206 Y HN 0.329 nan 8.280 nan 0.000 0.555 1207 N N -0.343 118.523 118.700 0.277 0.000 2.220 1207 N HA -0.077 4.663 4.740 -0.000 0.000 0.182 1207 N C 2.006 177.713 175.510 0.329 0.000 1.023 1207 N CA 1.089 54.319 53.050 0.299 0.000 0.856 1207 N CB -0.657 37.988 38.487 0.263 0.000 0.997 1207 N HN 0.134 nan 8.380 nan 0.000 0.429 1208 V N 1.587 121.610 119.914 0.181 0.000 2.427 1208 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 1208 V C 2.332 178.515 176.094 0.149 0.000 1.051 1208 V CA 1.520 63.878 62.300 0.097 0.000 1.048 1208 V CB -0.448 31.200 31.823 -0.292 0.000 0.666 1208 V HN 0.378 nan 8.190 nan 0.000 0.456 1209 E N 0.469 120.795 120.200 0.211 0.000 2.047 1209 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 1209 E C 2.254 179.093 176.600 0.398 0.000 0.987 1209 E CA 1.330 57.929 56.400 0.332 0.000 0.799 1209 E CB -0.220 29.777 29.700 0.495 0.000 0.752 1209 E HN 0.539 nan 8.360 nan 0.000 0.449 1210 A N 0.314 123.367 122.820 0.389 0.000 1.902 1210 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 1210 A C 2.377 180.049 177.584 0.147 0.000 1.181 1210 A CA 2.037 54.196 52.037 0.203 0.000 0.623 1210 A CB -0.939 18.240 19.000 0.297 0.000 0.818 1210 A HN 0.346 nan 8.150 nan 0.000 0.443 1211 T N -0.010 114.687 114.554 0.239 0.000 2.867 1211 T HA -0.082 4.268 4.350 -0.000 0.000 0.268 1211 T C 2.217 176.967 174.700 0.085 0.000 1.057 1211 T CA 1.556 63.794 62.100 0.229 0.000 1.136 1211 T CB -0.246 68.872 68.868 0.416 0.000 0.874 1211 T HN 0.489 nan 8.240 nan 0.000 0.466 1212 S N 0.455 116.201 115.700 0.076 0.000 2.368 1212 S HA -0.060 4.410 4.470 -0.000 0.000 0.224 1212 S C 1.731 176.210 174.600 -0.202 0.000 1.029 1212 S CA 0.925 59.089 58.200 -0.061 0.000 0.988 1212 S CB -0.469 62.672 63.200 -0.098 0.000 0.838 1212 S HN 0.525 nan 8.310 nan 0.000 0.462 1213 Y N 1.796 121.979 120.300 -0.195 0.000 2.181 1213 Y HA -0.143 4.407 4.550 -0.000 0.000 0.288 1213 Y C 2.660 178.369 175.900 -0.319 0.000 1.146 1213 Y CA 0.907 58.817 58.100 -0.317 0.000 1.164 1213 Y CB -0.656 37.685 38.460 -0.197 0.000 0.982 1213 Y HN 0.276 nan 8.280 nan 0.000 0.515 1214 A N -0.446 122.253 122.820 -0.202 0.000 1.933 1214 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 1214 A C 2.143 179.638 177.584 -0.147 0.000 1.175 1214 A CA 1.563 53.377 52.037 -0.372 0.000 0.628 1214 A CB -1.006 16.983 19.000 -1.686 0.000 0.814 1214 A HN 0.428 nan 8.150 nan 0.000 0.444 1215 L N -0.171 120.973 121.223 -0.132 0.000 2.046 1215 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 1215 L C 2.189 179.043 176.870 -0.026 0.000 1.077 1215 L CA 1.666 56.498 54.840 -0.013 0.000 0.747 1215 L CB -0.558 41.500 42.059 -0.002 0.000 0.896 1215 L HN 0.392 nan 8.230 nan 0.000 0.432 1216 L N -0.688 120.432 121.223 -0.171 0.000 2.191 1216 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 1216 L C 2.578 179.457 176.870 0.015 0.000 1.103 1216 L CA 0.969 55.678 54.840 -0.218 0.000 0.769 1216 L CB -0.808 40.786 42.059 -0.775 0.000 0.908 1216 L HN 0.393 nan 8.230 nan 0.000 0.438 1217 A N -0.020 122.831 122.820 0.052 0.000 1.929 1217 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 1217 A C 2.217 179.810 177.584 0.015 0.000 1.176 1217 A CA 0.990 53.082 52.037 0.092 0.000 0.628 1217 A CB -0.413 18.512 19.000 -0.124 0.000 0.816 1217 A HN 0.328 nan 8.150 nan 0.000 0.444 1218 L N -0.574 120.704 121.223 0.092 0.000 2.027 1218 L HA -0.122 4.218 4.340 -0.000 0.000 0.206 1218 L C 2.412 179.251 176.870 -0.052 0.000 1.074 1218 L CA 0.957 55.848 54.840 0.085 0.000 0.745 1218 L CB -0.596 41.580 42.059 0.195 0.000 0.898 1218 L HN 0.332 nan 8.230 nan 0.000 0.433 1219 L N -0.469 120.745 121.223 -0.015 0.000 2.265 1219 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 1219 L C 2.581 179.420 176.870 -0.051 0.000 1.117 1219 L CA 0.786 55.598 54.840 -0.046 0.000 0.782 1219 L CB -0.377 41.739 42.059 0.094 0.000 0.914 1219 L HN 0.324 nan 8.230 nan 0.000 0.441 1220 Q N 0.506 120.301 119.800 -0.009 0.000 2.096 1220 Q HA -0.077 4.263 4.340 -0.000 0.000 0.197 1220 Q C 2.078 178.038 176.000 -0.066 0.000 0.964 1220 Q CA 1.320 57.118 55.803 -0.008 0.000 0.838 1220 Q CB -0.054 28.699 28.738 0.025 0.000 0.906 1220 Q HN 0.469 nan 8.270 nan 0.000 0.444 1221 L N 0.198 121.363 121.223 -0.097 0.000 2.478 1221 L HA 0.043 4.383 4.340 -0.000 0.000 0.223 1221 L C 0.266 177.049 176.870 -0.145 0.000 1.140 1221 L CA 0.465 55.241 54.840 -0.107 0.000 0.842 1221 L CB -0.177 41.825 42.059 -0.094 0.000 0.953 1221 L HN 0.212 nan 8.230 nan 0.000 0.452 1222 K N -0.174 120.064 120.400 -0.270 0.000 3.129 1222 K HA -0.219 4.101 4.320 -0.000 0.000 0.273 1222 K C -0.063 176.199 176.600 -0.565 0.000 1.123 1222 K CA 0.755 56.740 56.287 -0.503 0.000 0.800 1222 K CB -1.411 31.039 32.500 -0.083 0.000 1.238 1222 K HN 0.195 nan 8.250 nan 0.000 0.492 1223 D N 0.530 120.669 120.400 -0.436 0.000 2.522 1223 D HA 0.138 4.778 4.640 -0.000 0.000 0.218 1223 D C -0.008 176.204 176.300 -0.147 0.000 1.149 1223 D CA -0.547 53.350 54.000 -0.172 0.000 0.981 1223 D CB -0.164 40.627 40.800 -0.015 0.000 1.041 1223 D HN 0.121 nan 8.370 nan 0.000 0.518 1224 F N 1.018 121.047 119.950 0.130 0.000 2.697 1224 F HA 0.162 4.689 4.527 -0.000 0.000 0.297 1224 F C 1.206 177.089 175.800 0.139 0.000 1.203 1224 F CA -0.161 57.923 58.000 0.140 0.000 1.421 1224 F CB 0.239 39.294 39.000 0.092 0.000 1.033 1224 F HN 0.162 nan 8.300 nan 0.000 0.512 1225 D N -1.266 119.288 120.400 0.257 0.000 2.422 1225 D HA -0.003 4.637 4.640 -0.000 0.000 0.218 1225 D C 1.500 177.934 176.300 0.224 0.000 1.047 1225 D CA 0.537 54.666 54.000 0.216 0.000 0.885 1225 D CB -0.131 40.781 40.800 0.186 0.000 1.035 1225 D HN 0.269 nan 8.370 nan 0.000 0.502 1226 F N 0.706 120.716 119.950 0.101 0.000 2.721 1226 F HA 0.107 4.634 4.527 -0.000 0.000 0.301 1226 F C 1.667 177.535 175.800 0.113 0.000 1.096 1226 F CA 0.193 58.249 58.000 0.093 0.000 1.308 1226 F CB 0.465 39.526 39.000 0.100 0.000 1.086 1226 F HN -0.278 nan 8.300 nan 0.000 0.587 1227 V N 1.785 121.840 119.914 0.234 0.000 2.323 1227 V HA -0.138 3.982 4.120 -0.000 0.000 0.244 1227 V C -0.385 175.754 176.094 0.076 0.000 1.041 1227 V CA 1.754 64.171 62.300 0.195 0.000 1.025 1227 V CB -1.701 30.294 31.823 0.287 0.000 0.656 1227 V HN 0.140 nan 8.190 nan 0.000 0.451 1228 P HA -0.140 nan 4.420 nan 0.000 0.216 1228 P C -1.382 175.899 177.300 -0.032 0.000 1.157 1228 P CA 2.101 65.228 63.100 0.045 0.000 0.880 1228 P CB -1.329 30.419 31.700 0.079 0.000 0.791 1229 P HA -0.103 nan 4.420 nan 0.000 0.217 1229 P C 1.603 178.862 177.300 -0.068 0.000 1.150 1229 P CA 1.079 64.102 63.100 -0.128 0.000 0.832 1229 P CB -0.449 31.071 31.700 -0.302 0.000 0.787 1230 V N -0.516 119.357 119.914 -0.068 0.000 2.270 1230 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 1230 V C 2.487 178.648 176.094 0.112 0.000 1.043 1230 V CA 1.653 63.997 62.300 0.073 0.000 1.014 1230 V CB -1.252 30.678 31.823 0.179 0.000 0.645 1230 V HN -0.053 nan 8.190 nan 0.000 0.447 1231 V N 0.151 120.042 119.914 -0.039 0.000 2.332 1231 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 1231 V C 2.577 178.632 176.094 -0.064 0.000 1.055 1231 V CA 2.459 64.661 62.300 -0.165 0.000 1.038 1231 V CB -0.820 30.654 31.823 -0.582 0.000 0.651 1231 V HN 0.492 nan 8.190 nan 0.000 0.450 1232 R N -1.424 119.063 120.500 -0.021 0.000 2.120 1232 R HA -0.241 4.099 4.340 -0.000 0.000 0.234 1232 R C 2.131 178.473 176.300 0.069 0.000 1.123 1232 R CA 2.021 58.132 56.100 0.018 0.000 0.975 1232 R CB -0.327 29.989 30.300 0.026 0.000 0.866 1232 R HN 0.668 nan 8.270 nan 0.000 0.446 1233 W N 0.921 122.182 121.300 -0.064 0.000 2.381 1233 W HA -0.109 4.551 4.660 -0.000 0.000 0.301 1233 W C 1.463 177.957 176.519 -0.042 0.000 1.205 1233 W CA 1.207 58.523 57.345 -0.049 0.000 1.285 1233 W CB -0.263 29.171 29.460 -0.044 0.000 1.133 1233 W HN 0.010 nan 8.180 nan 0.000 0.521 1234 L N 0.876 122.103 121.223 0.007 0.000 2.046 1234 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 1234 L C 2.271 179.008 176.870 -0.222 0.000 1.077 1234 L CA 1.400 56.123 54.840 -0.197 0.000 0.747 1234 L CB -1.082 40.960 42.059 -0.029 0.000 0.896 1234 L HN 0.032 nan 8.230 nan 0.000 0.432 1235 N N 0.361 118.989 118.700 -0.119 0.000 2.142 1235 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 1235 N C 1.346 176.791 175.510 -0.108 0.000 1.023 1235 N CA 1.131 54.136 53.050 -0.075 0.000 0.852 1235 N CB -0.192 38.285 38.487 -0.018 0.000 0.998 1235 N HN 0.411 nan 8.380 nan 0.000 0.424 1236 E N 0.330 120.444 120.200 -0.143 0.000 2.438 1236 E HA -0.038 4.312 4.350 -0.000 0.000 0.192 1236 E C 0.875 177.318 176.600 -0.261 0.000 1.110 1236 E CA 0.050 56.359 56.400 -0.150 0.000 0.893 1236 E CB 0.098 29.740 29.700 -0.097 0.000 0.990 1236 E HN 0.391 nan 8.360 nan 0.000 0.490 1237 Q N 0.171 119.764 119.800 -0.345 0.000 2.140 1237 Q HA 0.130 4.470 4.340 -0.000 0.000 0.227 1237 Q C -0.484 175.337 176.000 -0.299 0.000 0.798 1237 Q CA -0.229 55.330 55.803 -0.407 0.000 0.987 1237 Q CB 0.574 28.882 28.738 -0.716 0.000 1.161 1237 Q HN 0.005 nan 8.270 nan 0.000 0.480 1238 R N 0.949 121.292 120.500 -0.262 0.000 2.884 1238 R HA -0.248 4.092 4.340 -0.000 0.000 0.251 1238 R C -1.485 174.492 176.300 -0.539 0.000 0.870 1238 R CA 0.517 56.386 56.100 -0.385 0.000 0.647 1238 R CB -1.324 28.762 30.300 -0.357 0.000 1.415 1238 R HN 0.261 nan 8.270 nan 0.000 0.513 1239 Y N 1.991 121.994 120.300 -0.493 0.000 2.402 1239 Y HA 0.257 4.807 4.550 -0.000 0.000 0.332 1239 Y C -0.510 175.293 175.900 -0.162 0.000 0.960 1239 Y CA -1.128 56.753 58.100 -0.365 0.000 1.228 1239 Y CB 0.554 38.862 38.460 -0.254 0.000 1.120 1239 Y HN 0.210 nan 8.280 nan 0.000 0.491 1240 Y N 4.668 124.769 120.300 -0.332 0.000 2.645 1240 Y HA 0.400 4.950 4.550 -0.000 0.000 0.307 1240 Y C 1.348 177.200 175.900 -0.079 0.000 1.151 1240 Y CA -0.629 57.445 58.100 -0.044 0.000 1.291 1240 Y CB -0.299 38.239 38.460 0.130 0.000 1.135 1240 Y HN 0.859 nan 8.280 nan 0.000 0.523 1241 G N 0.360 108.771 108.800 -0.648 0.000 2.633 1241 G HA2 0.146 4.106 3.960 -0.000 0.000 0.263 1241 G HA3 0.146 4.106 3.960 -0.000 0.000 0.263 1241 G C 0.338 175.234 174.900 -0.007 0.000 1.310 1241 G CA 0.235 45.137 45.100 -0.330 0.000 0.914 1241 G HN 1.313 nan 8.290 nan 0.000 0.569 1242 G N -2.338 106.567 108.800 0.174 0.000 2.785 1242 G HA2 0.502 4.462 3.960 -0.000 0.000 0.685 1242 G HA3 0.502 4.462 3.960 -0.000 0.000 0.685 1242 G C 1.196 176.182 174.900 0.145 0.000 1.480 1242 G CA 0.611 45.845 45.100 0.223 0.000 0.915 1242 G HN 3.277 nan 8.290 nan 0.000 0.576 1243 G N -0.530 108.355 108.800 0.140 0.000 2.352 1243 G HA2 0.446 4.406 3.960 -0.000 0.000 0.324 1243 G HA3 0.446 4.406 3.960 -0.000 0.000 0.324 1243 G C -0.465 174.541 174.900 0.178 0.000 1.249 1243 G CA 0.146 45.332 45.100 0.143 0.000 1.053 1243 G HN 2.288 nan 8.290 nan 0.000 0.492 1244 Y N 1.561 121.901 120.300 0.066 0.000 2.341 1244 Y HA 0.467 5.017 4.550 -0.000 0.000 0.340 1244 Y C 1.228 177.166 175.900 0.063 0.000 0.997 1244 Y CA 0.910 59.045 58.100 0.059 0.000 1.149 1244 Y CB 1.066 39.552 38.460 0.044 0.000 1.171 1244 Y HN 2.430 nan 8.280 nan 0.000 0.494 1245 G N 3.307 111.790 108.800 -0.529 0.000 2.153 1245 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.252 1245 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.252 1245 G C 0.618 175.464 174.900 -0.090 0.000 0.994 1245 G CA 0.691 45.543 45.100 -0.414 0.000 0.698 1245 G HN 1.187 nan 8.290 nan 0.000 0.521 1246 S N -1.080 114.635 115.700 0.024 0.000 2.660 1246 S HA 0.252 4.722 4.470 -0.000 0.000 0.227 1246 S C 1.778 176.502 174.600 0.206 0.000 0.948 1246 S CA 1.091 59.393 58.200 0.170 0.000 0.948 1246 S CB 0.210 63.567 63.200 0.261 0.000 0.779 1246 S HN 0.349 nan 8.310 nan 0.000 0.487 1247 T N 2.622 117.255 114.554 0.132 0.000 2.720 1247 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 1247 T C 1.866 176.747 174.700 0.301 0.000 1.037 1247 T CA 1.474 63.679 62.100 0.176 0.000 1.144 1247 T CB -0.201 68.704 68.868 0.062 0.000 0.864 1247 T HN 0.393 nan 8.240 nan 0.000 0.444 1248 Q N 0.291 120.269 119.800 0.297 0.000 2.163 1248 Q HA 0.246 4.586 4.340 -0.000 0.000 0.198 1248 Q C 2.646 178.885 176.000 0.399 0.000 0.954 1248 Q CA 1.032 57.086 55.803 0.419 0.000 0.851 1248 Q CB -0.440 28.558 28.738 0.434 0.000 0.928 1248 Q HN 0.555 nan 8.270 nan 0.000 0.459 1249 A N 0.284 123.295 122.820 0.318 0.000 2.066 1249 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 1249 A C 2.141 179.956 177.584 0.386 0.000 1.157 1249 A CA 1.540 53.728 52.037 0.252 0.000 0.670 1249 A CB -0.308 18.735 19.000 0.072 0.000 0.804 1249 A HN 0.291 nan 8.150 nan 0.000 0.453 1250 T N -1.356 113.474 114.554 0.460 0.000 2.814 1250 T HA 0.001 4.351 4.350 -0.000 0.000 0.254 1250 T C 1.578 176.578 174.700 0.501 0.000 1.037 1250 T CA 1.223 63.633 62.100 0.516 0.000 1.143 1250 T CB -0.346 68.776 68.868 0.423 0.000 0.866 1250 T HN 0.453 nan 8.240 nan 0.000 0.431 1251 F N 1.283 121.411 119.950 0.296 0.000 2.293 1251 F HA 0.007 4.534 4.527 -0.000 0.000 0.300 1251 F C 1.957 177.844 175.800 0.144 0.000 1.086 1251 F CA 0.933 59.066 58.000 0.222 0.000 1.375 1251 F CB -0.178 38.955 39.000 0.222 0.000 1.045 1251 F HN 0.007 nan 8.300 nan 0.000 0.516 1252 M N -1.226 118.481 119.600 0.179 0.000 2.357 1252 M HA 0.006 4.486 4.480 -0.000 0.000 0.266 1252 M C 2.385 178.611 176.300 -0.124 0.000 1.095 1252 M CA 0.760 56.022 55.300 -0.063 0.000 1.156 1252 M CB -1.237 31.330 32.600 -0.055 0.000 1.365 1252 M HN 0.109 nan 8.290 nan 0.000 0.447 1253 V N 0.053 119.930 119.914 -0.061 0.000 2.515 1253 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 1253 V C 1.873 177.783 176.094 -0.306 0.000 1.058 1253 V CA 1.676 63.859 62.300 -0.194 0.000 1.064 1253 V CB -0.369 31.312 31.823 -0.237 0.000 0.675 1253 V HN 0.254 nan 8.190 nan 0.000 0.461 1254 F N -0.312 119.586 119.950 -0.087 0.000 2.569 1254 F HA 0.080 4.607 4.527 -0.000 0.000 0.295 1254 F C 2.357 178.163 175.800 0.010 0.000 1.115 1254 F CA 1.246 59.168 58.000 -0.130 0.000 1.450 1254 F CB -0.261 38.623 39.000 -0.193 0.000 1.107 1254 F HN 0.187 nan 8.300 nan 0.000 0.563 1255 Q N 0.424 120.223 119.800 -0.001 0.000 2.187 1255 Q HA -0.074 4.266 4.340 -0.000 0.000 0.199 1255 Q C 2.197 178.190 176.000 -0.012 0.000 0.957 1255 Q CA 1.249 56.995 55.803 -0.094 0.000 0.857 1255 Q CB -0.019 28.459 28.738 -0.434 0.000 0.929 1255 Q HN 0.351 nan 8.270 nan 0.000 0.453 1256 A N 0.536 123.323 122.820 -0.056 0.000 1.903 1256 A HA -0.001 4.319 4.320 -0.000 0.000 0.213 1256 A C 1.950 179.591 177.584 0.095 0.000 1.185 1256 A CA 0.546 52.562 52.037 -0.036 0.000 0.628 1256 A CB -0.403 18.530 19.000 -0.111 0.000 0.830 1256 A HN 0.398 nan 8.150 nan 0.000 0.446 1257 L N -0.742 120.558 121.223 0.129 0.000 2.217 1257 L HA -0.094 4.246 4.340 -0.000 0.000 0.211 1257 L C 2.923 180.035 176.870 0.404 0.000 1.107 1257 L CA 0.875 55.871 54.840 0.261 0.000 0.783 1257 L CB -0.450 41.736 42.059 0.212 0.000 0.919 1257 L HN 0.432 nan 8.230 nan 0.000 0.442 1258 A N -0.442 122.618 122.820 0.401 0.000 1.968 1258 A HA -0.205 4.114 4.320 -0.000 0.000 0.217 1258 A C 2.207 179.845 177.584 0.091 0.000 1.169 1258 A CA 1.213 53.356 52.037 0.176 0.000 0.638 1258 A CB -0.281 18.827 19.000 0.180 0.000 0.812 1258 A HN 0.339 nan 8.150 nan 0.000 0.446 1259 Q N -1.518 118.374 119.800 0.153 0.000 2.172 1259 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 1259 Q C 1.682 177.767 176.000 0.141 0.000 0.964 1259 Q CA 1.723 57.599 55.803 0.122 0.000 0.855 1259 Q CB -0.574 28.230 28.738 0.110 0.000 0.918 1259 Q HN 0.736 nan 8.270 nan 0.000 0.444 1260 Y N 0.027 120.371 120.300 0.073 0.000 2.352 1260 Y HA -0.101 4.449 4.550 -0.000 0.000 0.292 1260 Y C 1.535 177.470 175.900 0.059 0.000 1.136 1260 Y CA 1.285 59.440 58.100 0.092 0.000 1.227 1260 Y CB 0.252 38.774 38.460 0.103 0.000 0.991 1260 Y HN 0.135 nan 8.280 nan 0.000 0.545 1261 Q N 0.376 120.170 119.800 -0.010 0.000 2.472 1261 Q HA -0.053 4.287 4.340 -0.000 0.000 0.208 1261 Q C 1.411 177.314 176.000 -0.163 0.000 0.958 1261 Q CA 0.969 56.696 55.803 -0.128 0.000 0.932 1261 Q CB 0.119 28.800 28.738 -0.095 0.000 1.007 1261 Q HN 0.597 nan 8.270 nan 0.000 0.508 1262 K N -0.082 120.245 120.400 -0.121 0.000 2.287 1262 K HA 0.024 4.344 4.320 -0.000 0.000 0.199 1262 K C 0.560 177.093 176.600 -0.112 0.000 1.061 1262 K CA 0.440 56.665 56.287 -0.102 0.000 0.976 1262 K CB 0.499 32.968 32.500 -0.052 0.000 0.898 1262 K HN -0.009 nan 8.250 nan 0.000 0.492 1263 D N 1.169 121.521 120.400 -0.081 0.000 2.319 1263 D HA 0.049 4.689 4.640 -0.000 0.000 0.230 1263 D C -0.315 175.854 176.300 -0.219 0.000 1.094 1263 D CA 0.210 54.200 54.000 -0.016 0.000 0.856 1263 D CB 0.330 41.274 40.800 0.241 0.000 0.915 1263 D HN 0.099 nan 8.370 nan 0.000 0.517 1264 A N 1.807 124.410 122.820 -0.360 0.000 2.280 1264 A HA 0.504 4.824 4.320 -0.000 0.000 0.320 1264 A C -2.285 175.069 177.584 -0.383 0.000 1.366 1264 A CA -1.209 50.546 52.037 -0.470 0.000 0.938 1264 A CB 0.364 19.004 19.000 -0.600 0.000 1.157 1264 A HN -0.100 nan 8.150 nan 0.000 0.536 1265 P HA 0.271 nan 4.420 nan 0.000 0.275 1265 P C -0.153 176.938 177.300 -0.348 0.000 1.227 1265 P CA -0.292 62.555 63.100 -0.421 0.000 0.781 1265 P CB 0.966 32.371 31.700 -0.491 0.000 0.906 1266 D N -0.033 120.152 120.400 -0.358 0.000 2.123 1266 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 1266 D C 1.008 177.194 176.300 -0.190 0.000 0.976 1266 D CA 1.728 55.598 54.000 -0.217 0.000 0.831 1266 D CB -0.092 40.633 40.800 -0.124 0.000 0.974 1266 D HN 0.613 nan 8.370 nan 0.000 0.469 1267 H N -1.663 117.176 119.070 -0.384 0.000 3.220 1267 H HA 0.496 5.052 4.556 -0.000 0.000 0.299 1267 H C -0.380 174.789 175.328 -0.265 0.000 1.604 1267 H CA -0.891 54.957 56.048 -0.333 0.000 1.260 1267 H CB 0.630 30.060 29.762 -0.553 0.000 1.846 1267 H HN -0.022 nan 8.280 nan 0.000 0.632 1268 Q N 0.105 119.886 119.800 -0.032 0.000 2.306 1268 Q HA 0.386 4.726 4.340 -0.000 0.000 0.269 1268 Q C -0.900 175.140 176.000 0.067 0.000 1.053 1268 Q CA -1.035 54.736 55.803 -0.054 0.000 0.879 1268 Q CB 1.950 30.688 28.738 0.000 0.000 1.344 1268 Q HN 0.555 nan 8.270 nan 0.000 0.464 1269 E N 0.676 120.890 120.200 0.024 0.000 2.529 1269 E HA -0.019 4.331 4.350 -0.000 0.000 0.259 1269 E C -0.829 175.851 176.600 0.133 0.000 0.966 1269 E CA 0.196 56.641 56.400 0.075 0.000 0.937 1269 E CB 0.468 30.193 29.700 0.042 0.000 0.923 1269 E HN 0.275 nan 8.360 nan 0.000 0.468 1270 L N 4.904 126.241 121.223 0.189 0.000 2.433 1270 L HA 0.281 4.621 4.340 -0.000 0.000 0.256 1270 L C -1.005 175.932 176.870 0.113 0.000 1.063 1270 L CA -0.182 54.765 54.840 0.178 0.000 0.922 1270 L CB 0.515 42.744 42.059 0.283 0.000 1.238 1270 L HN 0.444 nan 8.230 nan 0.000 0.466 1271 N N 4.589 123.310 118.700 0.035 0.000 2.707 1271 N HA 0.287 5.027 4.740 -0.000 0.000 0.249 1271 N C -1.434 174.035 175.510 -0.069 0.000 1.299 1271 N CA -0.220 52.790 53.050 -0.067 0.000 0.769 1271 N CB 0.677 39.166 38.487 0.004 0.000 1.236 1271 N HN 0.432 nan 8.380 nan 0.000 0.524 1272 L N 0.771 121.943 121.223 -0.085 0.000 2.292 1272 L HA 0.370 4.710 4.340 -0.000 0.000 0.284 1272 L C 0.138 176.980 176.870 -0.047 0.000 1.065 1272 L CA -0.558 54.257 54.840 -0.042 0.000 0.806 1272 L CB 1.176 43.224 42.059 -0.019 0.000 1.175 1272 L HN 0.270 nan 8.230 nan 0.000 0.431 1273 D N 3.102 123.493 120.400 -0.015 0.000 2.514 1273 D HA 0.225 4.865 4.640 -0.000 0.000 0.267 1273 D C -0.673 175.642 176.300 0.026 0.000 1.165 1273 D CA -0.280 53.721 54.000 0.003 0.000 0.958 1273 D CB 0.755 41.558 40.800 0.004 0.000 0.992 1273 D HN 0.014 nan 8.370 nan 0.000 0.506 1274 V N 2.210 122.151 119.914 0.044 0.000 2.461 1274 V HA 0.414 4.534 4.120 -0.000 0.000 0.275 1274 V C 0.434 176.580 176.094 0.087 0.000 1.047 1274 V CA -0.462 61.874 62.300 0.060 0.000 0.955 1274 V CB 1.177 33.033 31.823 0.055 0.000 0.988 1274 V HN 0.577 nan 8.190 nan 0.000 0.471 1275 S N 5.973 121.718 115.700 0.075 0.000 2.647 1275 S HA 0.773 5.243 4.470 -0.000 0.000 0.300 1275 S C -0.917 173.737 174.600 0.089 0.000 1.129 1275 S CA -0.862 57.385 58.200 0.078 0.000 1.029 1275 S CB 1.301 64.531 63.200 0.050 0.000 1.007 1275 S HN 0.702 nan 8.310 nan 0.000 0.484 1276 L N 1.089 122.373 121.223 0.103 0.000 2.313 1276 L HA 0.685 5.025 4.340 -0.000 0.000 0.283 1276 L C -0.321 176.606 176.870 0.096 0.000 1.013 1276 L CA -0.798 54.121 54.840 0.132 0.000 0.816 1276 L CB 1.281 43.425 42.059 0.140 0.000 1.236 1276 L HN 0.801 nan 8.230 nan 0.000 0.419 1277 Q N 3.396 123.271 119.800 0.124 0.000 2.348 1277 Q HA 0.517 4.857 4.340 -0.000 0.000 0.265 1277 Q C -1.580 174.491 176.000 0.119 0.000 0.998 1277 Q CA -0.819 55.036 55.803 0.087 0.000 0.831 1277 Q CB 1.705 30.484 28.738 0.068 0.000 1.251 1277 Q HN 0.703 nan 8.270 nan 0.000 0.456 1278 L N 6.965 128.225 121.223 0.063 0.000 2.325 1278 L HA 0.382 4.722 4.340 -0.000 0.000 0.279 1278 L C -1.452 175.450 176.870 0.054 0.000 1.054 1278 L CA -1.959 52.923 54.840 0.070 0.000 0.804 1278 L CB 0.897 42.942 42.059 -0.022 0.000 1.200 1278 L HN 0.624 nan 8.230 nan 0.000 0.436 1279 P HA -0.124 nan 4.420 nan 0.000 0.220 1279 P C 1.243 178.557 177.300 0.023 0.000 1.148 1279 P CA 0.848 63.973 63.100 0.042 0.000 0.803 1279 P CB 0.439 32.166 31.700 0.045 0.000 0.782 1280 S N -1.299 114.411 115.700 0.017 0.000 2.603 1280 S HA 0.052 4.522 4.470 -0.000 0.000 0.220 1280 S C 0.903 175.501 174.600 -0.003 0.000 0.967 1280 S CA -0.342 57.860 58.200 0.004 0.000 0.920 1280 S CB -0.501 62.698 63.200 -0.002 0.000 0.773 1280 S HN 0.022 nan 8.310 nan 0.000 0.529 1281 R N -0.442 120.058 120.500 -0.001 0.000 2.670 1281 R HA 0.484 4.824 4.340 -0.000 0.000 0.289 1281 R C 0.663 176.963 176.300 -0.000 0.000 0.965 1281 R CA -0.260 55.837 56.100 -0.006 0.000 0.899 1281 R CB 1.342 31.633 30.300 -0.015 0.000 1.173 1281 R HN 0.082 nan 8.270 nan 0.000 0.456 1282 S N 0.183 115.881 115.700 -0.003 0.000 2.377 1282 S HA 0.032 4.502 4.470 -0.000 0.000 0.223 1282 S C 0.259 174.859 174.600 0.000 0.000 1.030 1282 S CA 0.537 58.737 58.200 -0.001 0.000 0.970 1282 S CB 0.244 63.442 63.200 -0.003 0.000 0.830 1282 S HN 0.575 nan 8.310 nan 0.000 0.473 1283 S N 0.915 116.613 115.700 -0.003 0.000 2.651 1283 S HA 0.424 4.894 4.470 -0.000 0.000 0.291 1283 S C -0.199 174.400 174.600 -0.001 0.000 1.141 1283 S CA -0.798 57.400 58.200 -0.003 0.000 1.027 1283 S CB 1.322 64.516 63.200 -0.009 0.000 1.043 1283 S HN 0.200 nan 8.310 nan 0.000 0.530 1284 K N 0.927 121.328 120.400 0.002 0.000 2.168 1284 K HA 0.351 4.671 4.320 -0.000 0.000 0.258 1284 K C -0.610 175.989 176.600 -0.001 0.000 1.010 1284 K CA -0.410 55.883 56.287 0.009 0.000 0.929 1284 K CB 0.333 32.842 32.500 0.015 0.000 0.998 1284 K HN 0.354 nan 8.250 nan 0.000 0.479 1285 I N 2.894 123.472 120.570 0.013 0.000 2.361 1285 I HA 0.106 4.276 4.170 -0.000 0.000 0.282 1285 I C -0.201 175.935 176.117 0.033 0.000 1.075 1285 I CA -0.205 61.102 61.300 0.013 0.000 1.205 1285 I CB 0.354 38.382 38.000 0.046 0.000 1.406 1285 I HN 0.474 nan 8.210 nan 0.000 0.481 1286 T N 5.678 120.204 114.554 -0.048 0.000 2.771 1286 T HA 0.424 4.774 4.350 -0.000 0.000 0.291 1286 T C -0.020 174.585 174.700 -0.159 0.000 0.954 1286 T CA -0.186 61.891 62.100 -0.039 0.000 1.045 1286 T CB 1.029 69.874 68.868 -0.037 0.000 0.917 1286 T HN 0.331 nan 8.240 nan 0.000 0.484 1287 H N 1.980 121.051 119.070 0.001 0.000 2.797 1287 H HA 0.542 5.098 4.556 -0.000 0.000 0.372 1287 H C -0.180 175.140 175.328 -0.015 0.000 1.168 1287 H CA -0.825 55.222 56.048 -0.002 0.000 1.163 1287 H CB 2.035 31.795 29.762 -0.004 0.000 1.778 1287 H HN 0.340 nan 8.280 nan 0.000 0.551 1288 R N 2.019 122.582 120.500 0.106 0.000 2.483 1288 R HA 0.402 4.742 4.340 -0.000 0.000 0.303 1288 R C -0.710 175.548 176.300 -0.070 0.000 0.987 1288 R CA -0.571 55.519 56.100 -0.017 0.000 0.881 1288 R CB 1.666 31.949 30.300 -0.028 0.000 1.177 1288 R HN 0.443 nan 8.270 nan 0.000 0.451 1289 I N 3.236 123.720 120.570 -0.143 0.000 2.336 1289 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 1289 I C -0.054 175.918 176.117 -0.243 0.000 0.991 1289 I CA -0.635 60.600 61.300 -0.109 0.000 1.227 1289 I CB 1.189 39.162 38.000 -0.045 0.000 1.366 1289 I HN 0.492 nan 8.210 nan 0.000 0.466 1290 H N 3.766 122.866 119.070 0.050 0.000 2.737 1290 H HA 0.145 4.701 4.556 -0.000 0.000 0.358 1290 H C 0.335 175.716 175.328 0.089 0.000 1.187 1290 H CA -0.625 55.476 56.048 0.088 0.000 1.221 1290 H CB 1.728 31.540 29.762 0.084 0.000 1.799 1290 H HN 0.705 nan 8.280 nan 0.000 0.568 1291 W N 1.699 123.070 121.300 0.117 0.000 2.335 1291 W HA -0.210 4.450 4.660 -0.000 0.000 0.311 1291 W C 0.508 176.999 176.519 -0.047 0.000 1.213 1291 W CA 2.016 59.342 57.345 -0.033 0.000 1.274 1291 W CB 0.069 29.478 29.460 -0.086 0.000 1.148 1291 W HN 0.729 nan 8.180 nan 0.000 0.498 1292 E N 0.713 120.764 120.200 -0.248 0.000 2.072 1292 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 1292 E C 2.276 178.716 176.600 -0.266 0.000 0.982 1292 E CA 2.191 58.362 56.400 -0.381 0.000 0.803 1292 E CB -0.754 28.892 29.700 -0.090 0.000 0.755 1292 E HN 0.235 nan 8.360 nan 0.000 0.453 1293 S N -0.155 115.487 115.700 -0.096 0.000 2.671 1293 S HA 0.452 4.922 4.470 -0.000 0.000 0.220 1293 S C 0.903 175.458 174.600 -0.075 0.000 0.951 1293 S CA -0.179 57.989 58.200 -0.053 0.000 0.932 1293 S CB -0.102 63.128 63.200 0.049 0.000 0.777 1293 S HN 0.248 nan 8.310 nan 0.000 0.508 1294 A N 2.090 124.820 122.820 -0.150 0.000 2.325 1294 A HA 0.570 4.890 4.320 -0.000 0.000 0.260 1294 A C 1.264 178.764 177.584 -0.139 0.000 1.133 1294 A CA 0.213 52.169 52.037 -0.136 0.000 0.801 1294 A CB -0.570 18.322 19.000 -0.180 0.000 1.092 1294 A HN 1.753 nan 8.150 nan 0.000 0.504 1295 S N -2.662 112.975 115.700 -0.105 0.000 3.581 1295 S HA -0.162 4.308 4.470 -0.000 0.000 0.354 1295 S C -0.407 174.148 174.600 -0.075 0.000 1.059 1295 S CA 1.156 59.304 58.200 -0.088 0.000 1.060 1295 S CB -2.335 60.799 63.200 -0.109 0.000 0.908 1295 S HN 2.068 nan 8.310 nan 0.000 0.475 1296 L N 1.137 122.322 121.223 -0.063 0.000 2.325 1296 L HA 0.640 4.980 4.340 -0.000 0.000 0.281 1296 L C -0.001 176.839 176.870 -0.050 0.000 1.004 1296 L CA -0.935 53.874 54.840 -0.051 0.000 0.823 1296 L CB 1.402 43.437 42.059 -0.040 0.000 1.236 1296 L HN 0.464 nan 8.230 nan 0.000 0.415 1297 L N 6.409 127.606 121.223 -0.044 0.000 2.565 1297 L HA 0.223 4.563 4.340 -0.000 0.000 0.275 1297 L C 0.058 176.892 176.870 -0.059 0.000 1.137 1297 L CA 0.280 55.092 54.840 -0.047 0.000 0.915 1297 L CB -0.186 41.853 42.059 -0.034 0.000 1.232 1297 L HN 0.634 nan 8.230 nan 0.000 0.473 1298 R N 2.712 123.152 120.500 -0.100 0.000 2.312 1298 R HA 0.281 4.621 4.340 -0.000 0.000 0.310 1298 R C -0.497 175.697 176.300 -0.176 0.000 1.064 1298 R CA -0.366 55.637 56.100 -0.162 0.000 0.983 1298 R CB 1.281 31.396 30.300 -0.309 0.000 1.139 1298 R HN 0.567 nan 8.270 nan 0.000 0.536 1299 S N 1.487 117.129 115.700 -0.097 0.000 2.501 1299 S HA 0.473 4.943 4.470 -0.000 0.000 0.301 1299 S C -0.285 174.285 174.600 -0.050 0.000 1.096 1299 S CA -1.013 57.144 58.200 -0.072 0.000 1.063 1299 S CB 2.310 65.485 63.200 -0.041 0.000 1.042 1299 S HN 0.327 nan 8.310 nan 0.000 0.494 1300 E N 2.039 122.202 120.200 -0.061 0.000 2.185 1300 E HA 0.385 4.735 4.350 -0.000 0.000 0.261 1300 E C -1.037 175.515 176.600 -0.081 0.000 0.879 1300 E CA -0.492 55.875 56.400 -0.054 0.000 0.756 1300 E CB 1.756 31.421 29.700 -0.058 0.000 1.152 1300 E HN 0.722 nan 8.360 nan 0.000 0.416 1301 E N 0.873 121.039 120.200 -0.057 0.000 2.277 1301 E HA 0.517 4.867 4.350 -0.000 0.000 0.274 1301 E C -0.586 175.973 176.600 -0.069 0.000 1.022 1301 E CA -0.417 55.951 56.400 -0.053 0.000 0.853 1301 E CB 1.142 30.826 29.700 -0.026 0.000 1.086 1301 E HN 0.086 nan 8.360 nan 0.000 0.397 1302 T N 2.078 116.593 114.554 -0.067 0.000 3.050 1302 T HA 0.196 4.546 4.350 -0.000 0.000 0.310 1302 T C 0.259 174.937 174.700 -0.035 0.000 0.978 1302 T CA -0.826 61.234 62.100 -0.066 0.000 1.013 1302 T CB 0.819 69.622 68.868 -0.108 0.000 1.000 1302 T HN 0.347 nan 8.240 nan 0.000 0.447 1303 K N 1.163 121.547 120.400 -0.027 0.000 2.574 1303 K HA 0.031 4.351 4.320 -0.000 0.000 0.193 1303 K C 0.772 177.362 176.600 -0.016 0.000 1.035 1303 K CA 0.629 56.905 56.287 -0.017 0.000 0.982 1303 K CB 0.501 32.990 32.500 -0.018 0.000 0.795 1303 K HN 0.537 nan 8.250 nan 0.000 0.491 1304 E N 1.215 121.404 120.200 -0.018 0.000 2.183 1304 E HA 0.093 4.443 4.350 -0.000 0.000 0.271 1304 E C -1.114 175.486 176.600 0.000 0.000 0.919 1304 E CA -0.720 55.673 56.400 -0.011 0.000 0.781 1304 E CB 0.889 30.582 29.700 -0.012 0.000 1.140 1304 E HN -0.117 nan 8.360 nan 0.000 0.402 1305 N N 4.076 122.778 118.700 0.002 0.000 2.602 1305 N HA 0.086 4.826 4.740 -0.000 0.000 0.238 1305 N C -1.252 174.276 175.510 0.031 0.000 1.084 1305 N CA 0.092 53.151 53.050 0.015 0.000 0.952 1305 N CB 0.366 38.845 38.487 -0.014 0.000 1.244 1305 N HN 0.411 nan 8.380 nan 0.000 0.512 1306 E N 0.586 120.831 120.200 0.075 0.000 2.355 1306 E HA 0.510 4.860 4.350 -0.000 0.000 0.261 1306 E C -0.247 176.438 176.600 0.141 0.000 0.943 1306 E CA -1.064 55.389 56.400 0.088 0.000 0.806 1306 E CB 1.289 31.041 29.700 0.086 0.000 1.286 1306 E HN 0.481 nan 8.360 nan 0.000 0.424 1307 G N 1.557 110.412 108.800 0.092 0.000 2.741 1307 G HA2 0.446 4.406 3.960 -0.000 0.000 0.336 1307 G HA3 0.446 4.406 3.960 -0.000 0.000 0.336 1307 G C -0.396 174.539 174.900 0.057 0.000 1.022 1307 G CA -0.387 44.732 45.100 0.032 0.000 1.193 1307 G HN 0.222 nan 8.290 nan 0.000 0.455 1308 F N 1.595 121.542 119.950 -0.006 0.000 2.403 1308 F HA 0.846 5.373 4.527 -0.000 0.000 0.326 1308 F C 0.420 176.220 175.800 -0.001 0.000 1.081 1308 F CA -1.310 56.688 58.000 -0.002 0.000 1.041 1308 F CB 1.188 40.188 39.000 0.000 0.000 1.234 1308 F HN 0.292 nan 8.300 nan 0.000 0.503 1309 T N -0.275 114.331 114.554 0.087 0.000 2.940 1309 T HA 0.783 5.133 4.350 -0.000 0.000 0.288 1309 T C -1.013 173.760 174.700 0.122 0.000 1.033 1309 T CA -0.780 61.316 62.100 -0.006 0.000 1.033 1309 T CB 1.575 70.447 68.868 0.007 0.000 1.079 1309 T HN 0.691 nan 8.240 nan 0.000 0.496 1310 V N 1.614 121.562 119.914 0.057 0.000 2.656 1310 V HA 0.631 4.751 4.120 -0.000 0.000 0.307 1310 V C -0.155 175.972 176.094 0.055 0.000 1.051 1310 V CA -0.753 61.607 62.300 0.101 0.000 0.893 1310 V CB 2.176 34.066 31.823 0.111 0.000 0.999 1310 V HN 1.160 nan 8.190 nan 0.000 0.426 1311 T N 3.846 118.435 114.554 0.060 0.000 2.809 1311 T HA 0.732 5.082 4.350 -0.000 0.000 0.284 1311 T C -0.154 174.569 174.700 0.039 0.000 0.992 1311 T CA -0.260 61.864 62.100 0.040 0.000 0.957 1311 T CB 1.502 70.392 68.868 0.036 0.000 0.942 1311 T HN 0.955 nan 8.240 nan 0.000 0.439 1312 A N 3.191 126.029 122.820 0.030 0.000 2.340 1312 A HA 0.873 5.193 4.320 -0.000 0.000 0.331 1312 A C -0.349 177.248 177.584 0.021 0.000 1.140 1312 A CA -0.657 51.396 52.037 0.026 0.000 0.801 1312 A CB 1.173 20.187 19.000 0.023 0.000 1.234 1312 A HN 0.807 nan 8.150 nan 0.000 0.469 1313 E N 0.661 120.872 120.200 0.018 0.000 2.363 1313 E HA 0.532 4.882 4.350 -0.000 0.000 0.281 1313 E C -0.321 176.286 176.600 0.012 0.000 0.953 1313 E CA 0.118 56.528 56.400 0.016 0.000 0.778 1313 E CB 1.887 31.597 29.700 0.017 0.000 1.220 1313 E HN 2.012 nan 8.360 nan 0.000 0.431 1314 G N 2.239 111.048 108.800 0.014 0.000 2.331 1314 G HA2 0.011 3.971 3.960 -0.000 0.000 0.479 1314 G HA3 0.011 3.971 3.960 -0.000 0.000 0.479 1314 G C -1.678 173.233 174.900 0.019 0.000 1.262 1314 G CA -0.968 44.141 45.100 0.014 0.000 1.029 1314 G HN 0.377 nan 8.290 nan 0.000 0.487 1315 K N 0.370 120.784 120.400 0.024 0.000 2.235 1315 K HA 0.804 5.124 4.320 -0.000 0.000 0.266 1315 K C 0.685 177.309 176.600 0.040 0.000 0.980 1315 K CA 0.707 57.013 56.287 0.032 0.000 0.849 1315 K CB 1.223 33.744 32.500 0.034 0.000 1.098 1315 K HN 2.051 nan 8.250 nan 0.000 0.445 1316 G N 1.021 109.846 108.800 0.043 0.000 2.291 1316 G HA2 0.097 4.057 3.960 -0.000 0.000 0.249 1316 G HA3 0.097 4.057 3.960 -0.000 0.000 0.249 1316 G C -1.772 173.156 174.900 0.046 0.000 1.340 1316 G CA -0.806 44.327 45.100 0.055 0.000 1.017 1316 G HN 0.531 nan 8.290 nan 0.000 0.470 1317 Q N -0.754 119.075 119.800 0.048 0.000 2.386 1317 Q HA 0.586 4.926 4.340 -0.000 0.000 0.274 1317 Q C -0.559 175.459 176.000 0.031 0.000 1.011 1317 Q CA -0.156 55.670 55.803 0.038 0.000 0.867 1317 Q CB 1.783 30.546 28.738 0.042 0.000 1.409 1317 Q HN 1.773 nan 8.270 nan 0.000 0.395 1318 G N 0.675 109.487 108.800 0.020 0.000 2.708 1318 G HA2 0.681 4.641 3.960 -0.000 0.000 0.289 1318 G HA3 0.681 4.641 3.960 -0.000 0.000 0.289 1318 G C -1.415 173.490 174.900 0.009 0.000 1.416 1318 G CA -0.475 44.632 45.100 0.011 0.000 0.829 1318 G HN 0.400 nan 8.290 nan 0.000 0.480 1319 T N 0.597 115.152 114.554 0.002 0.000 2.812 1319 T HA 0.515 4.865 4.350 -0.000 0.000 0.282 1319 T C -1.034 173.668 174.700 0.002 0.000 0.990 1319 T CA -0.287 61.815 62.100 0.003 0.000 0.960 1319 T CB 1.528 70.397 68.868 0.001 0.000 0.948 1319 T HN 0.466 nan 8.240 nan 0.000 0.438 1320 L N 3.858 125.088 121.223 0.011 0.000 2.329 1320 L HA 0.827 5.167 4.340 -0.000 0.000 0.279 1320 L C -0.496 176.389 176.870 0.026 0.000 1.014 1320 L CA -0.164 54.689 54.840 0.021 0.000 0.814 1320 L CB 1.500 43.578 42.059 0.033 0.000 1.257 1320 L HN 0.738 nan 8.230 nan 0.000 0.424 1321 S N 3.501 119.222 115.700 0.035 0.000 2.614 1321 S HA 0.760 5.229 4.470 -0.000 0.000 0.275 1321 S C -1.257 173.381 174.600 0.064 0.000 1.161 1321 S CA -0.767 57.456 58.200 0.039 0.000 0.969 1321 S CB 1.288 64.502 63.200 0.023 0.000 1.059 1321 S HN 0.405 nan 8.310 nan 0.000 0.482 1322 V N 3.126 123.088 119.914 0.080 0.000 2.378 1322 V HA 0.632 4.752 4.120 -0.000 0.000 0.288 1322 V C -0.753 175.393 176.094 0.086 0.000 1.016 1322 V CA -0.527 61.844 62.300 0.119 0.000 0.840 1322 V CB 1.469 33.416 31.823 0.207 0.000 0.994 1322 V HN 0.859 nan 8.190 nan 0.000 0.431 1323 V N 4.086 124.045 119.914 0.075 0.000 2.531 1323 V HA 0.555 4.675 4.120 -0.000 0.000 0.301 1323 V C 0.197 176.337 176.094 0.075 0.000 1.034 1323 V CA -0.516 61.825 62.300 0.068 0.000 0.865 1323 V CB 2.433 34.289 31.823 0.055 0.000 0.995 1323 V HN 0.960 nan 8.190 nan 0.000 0.424 1324 T N 3.091 117.697 114.554 0.087 0.000 2.829 1324 T HA 0.797 5.147 4.350 -0.000 0.000 0.282 1324 T C -0.537 174.262 174.700 0.165 0.000 0.990 1324 T CA -0.656 61.502 62.100 0.098 0.000 1.028 1324 T CB 1.242 70.147 68.868 0.061 0.000 0.951 1324 T HN 0.453 nan 8.240 nan 0.000 0.460 1325 M N 3.856 123.560 119.600 0.174 0.000 2.243 1325 M HA 0.586 5.066 4.480 -0.000 0.000 0.324 1325 M C -1.222 175.263 176.300 0.308 0.000 1.031 1325 M CA -0.941 54.488 55.300 0.216 0.000 0.949 1325 M CB 1.689 34.364 32.600 0.125 0.000 1.615 1325 M HN 0.924 nan 8.290 nan 0.000 0.430 1326 Y N -0.723 119.639 120.300 0.104 0.000 2.744 1326 Y HA 0.540 5.090 4.550 -0.000 0.000 0.330 1326 Y C -1.518 174.545 175.900 0.271 0.000 1.263 1326 Y CA -1.458 56.724 58.100 0.137 0.000 1.065 1326 Y CB 1.093 39.594 38.460 0.068 0.000 1.306 1326 Y HN 0.575 nan 8.280 nan 0.000 0.459 1327 H N 1.288 120.284 119.070 -0.125 0.000 2.556 1327 H HA 0.750 5.306 4.556 -0.000 0.000 0.310 1327 H C -0.684 174.494 175.328 -0.251 0.000 1.057 1327 H CA -0.683 55.232 56.048 -0.221 0.000 1.264 1327 H CB 1.411 31.143 29.762 -0.050 0.000 1.404 1327 H HN 0.884 nan 8.280 nan 0.000 0.462 1328 A N 3.219 125.841 122.820 -0.330 0.000 2.310 1328 A HA 0.133 4.453 4.320 -0.000 0.000 0.299 1328 A C 0.802 178.382 177.584 -0.006 0.000 1.147 1328 A CA -0.744 51.215 52.037 -0.130 0.000 0.818 1328 A CB 0.615 19.490 19.000 -0.209 0.000 1.096 1328 A HN 0.809 nan 8.150 nan 0.000 0.495 1329 K N 2.167 122.605 120.400 0.064 0.000 2.968 1329 K HA 0.209 4.529 4.320 -0.000 0.000 0.249 1329 K C 1.392 178.007 176.600 0.026 0.000 1.062 1329 K CA 0.432 56.747 56.287 0.046 0.000 1.215 1329 K CB -0.516 32.019 32.500 0.060 0.000 1.097 1329 K HN 0.781 nan 8.250 nan 0.000 0.462 1330 A N 1.302 124.125 122.820 0.005 0.000 1.892 1330 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 1330 A C 0.464 178.050 177.584 0.003 0.000 1.188 1330 A CA 1.175 53.212 52.037 0.000 0.000 0.631 1330 A CB -0.269 18.718 19.000 -0.022 0.000 0.822 1330 A HN 0.435 nan 8.150 nan 0.000 0.447 1331 K N 1.143 121.542 120.400 -0.001 0.000 2.511 1331 K HA 0.095 4.415 4.320 -0.000 0.000 0.277 1331 K C -0.203 176.403 176.600 0.010 0.000 1.025 1331 K CA 0.599 56.888 56.287 0.004 0.000 1.112 1331 K CB -0.079 32.423 32.500 0.005 0.000 0.859 1331 K HN 0.505 nan 8.250 nan 0.000 0.485 1332 D N 1.144 121.550 120.400 0.010 0.000 3.496 1332 D HA -0.200 4.440 4.640 -0.000 0.000 0.238 1332 D C -0.482 175.823 176.300 0.008 0.000 1.707 1332 D CA 0.797 54.801 54.000 0.007 0.000 1.150 1332 D CB -0.478 40.324 40.800 0.003 0.000 0.759 1332 D HN 0.570 nan 8.370 nan 0.000 0.936 1333 Q N 0.222 120.025 119.800 0.005 0.000 2.394 1333 Q HA 0.280 4.620 4.340 -0.000 0.000 0.347 1333 Q C 0.658 176.666 176.000 0.013 0.000 1.144 1333 Q CA 0.851 56.659 55.803 0.008 0.000 1.050 1333 Q CB -0.072 28.668 28.738 0.004 0.000 1.188 1333 Q HN 0.537 nan 8.270 nan 0.000 0.406 1334 L N 0.908 122.143 121.223 0.020 0.000 3.548 1334 L HA -0.227 4.113 4.340 -0.000 0.000 0.443 1334 L C -0.169 176.714 176.870 0.022 0.000 1.286 1334 L CA 0.584 55.438 54.840 0.024 0.000 0.863 1334 L CB -1.163 40.908 42.059 0.020 0.000 1.734 1334 L HN 0.947 nan 8.230 nan 0.000 0.873 1335 T N -4.150 110.418 114.554 0.024 0.000 4.058 1335 T HA 0.124 4.474 4.350 -0.000 0.000 0.252 1335 T C 1.136 175.858 174.700 0.036 0.000 1.264 1335 T CA 0.059 62.172 62.100 0.023 0.000 1.094 1335 T CB 0.289 69.167 68.868 0.017 0.000 1.316 1335 T HN 0.506 nan 8.240 nan 0.000 0.872 1336 c N 2.307 120.931 118.600 0.041 0.000 2.522 1336 c HA 0.188 4.758 4.570 -0.000 0.000 0.271 1336 c C 1.433 175.572 174.090 0.082 0.000 1.425 1336 c CA -0.052 56.315 56.329 0.062 0.000 1.751 1336 c CB -2.241 40.306 42.510 0.062 0.000 1.775 1336 c HN 1.095 nan 8.230 nan 0.000 0.557 1337 N N -0.672 118.056 118.700 0.047 0.000 1.243 1337 N HA -0.244 4.496 4.740 -0.000 0.000 0.121 1337 N C -0.274 175.219 175.510 -0.029 0.000 0.850 1337 N CA 1.271 54.341 53.050 0.034 0.000 0.883 1337 N CB -0.664 37.878 38.487 0.092 0.000 1.027 1337 N HN 0.192 nan 8.380 nan 0.000 0.616 1338 K N 0.399 120.754 120.400 -0.074 0.000 2.790 1338 K HA 0.382 4.702 4.320 -0.000 0.000 0.229 1338 K C -1.135 175.032 176.600 -0.722 0.000 1.040 1338 K CA 0.524 56.524 56.287 -0.479 0.000 1.211 1338 K CB -0.283 31.830 32.500 -0.645 0.000 1.002 1338 K HN 0.210 nan 8.250 nan 0.000 0.479 1339 F N -0.653 119.240 119.950 -0.094 0.000 2.608 1339 F HA 0.282 4.809 4.527 -0.000 0.000 0.309 1339 F C -0.731 175.068 175.800 -0.002 0.000 1.103 1339 F CA -1.270 56.727 58.000 -0.005 0.000 0.954 1339 F CB 2.032 41.066 39.000 0.058 0.000 1.267 1339 F HN -0.161 nan 8.300 nan 0.000 0.444 1340 D N 3.260 123.781 120.400 0.201 0.000 2.438 1340 D HA 0.298 4.938 4.640 -0.000 0.000 0.257 1340 D C -1.109 175.267 176.300 0.126 0.000 1.148 1340 D CA -0.222 53.852 54.000 0.123 0.000 0.902 1340 D CB 1.654 42.495 40.800 0.068 0.000 1.062 1340 D HN 0.216 nan 8.370 nan 0.000 0.518 1341 L N 2.262 123.551 121.223 0.110 0.000 2.276 1341 L HA 0.428 4.768 4.340 -0.000 0.000 0.286 1341 L C -0.695 176.203 176.870 0.046 0.000 1.061 1341 L CA -0.162 54.721 54.840 0.072 0.000 0.807 1341 L CB 0.616 42.699 42.059 0.040 0.000 1.177 1341 L HN -0.016 nan 8.230 nan 0.000 0.429 1342 K N 4.026 124.445 120.400 0.033 0.000 2.450 1342 K HA 0.663 4.983 4.320 -0.000 0.000 0.257 1342 K C -1.387 175.211 176.600 -0.003 0.000 0.953 1342 K CA -0.332 55.967 56.287 0.021 0.000 0.844 1342 K CB 2.079 34.591 32.500 0.020 0.000 1.103 1342 K HN 0.360 nan 8.250 nan 0.000 0.429 1343 V N 2.346 122.261 119.914 0.000 0.000 2.555 1343 V HA 0.613 4.733 4.120 -0.000 0.000 0.302 1343 V C -0.550 175.526 176.094 -0.030 0.000 1.038 1343 V CA -0.657 61.622 62.300 -0.035 0.000 0.887 1343 V CB 2.153 33.973 31.823 -0.005 0.000 0.991 1343 V HN 0.787 nan 8.190 nan 0.000 0.434 1344 T N 5.228 119.722 114.554 -0.099 0.000 2.916 1344 T HA 0.599 4.949 4.350 -0.000 0.000 0.298 1344 T C -1.019 173.586 174.700 -0.159 0.000 1.031 1344 T CA -0.260 61.791 62.100 -0.081 0.000 0.993 1344 T CB 1.848 70.678 68.868 -0.062 0.000 1.045 1344 T HN 0.474 nan 8.240 nan 0.000 0.454 1345 I N 3.262 123.768 120.570 -0.106 0.000 2.382 1345 I HA 0.533 4.703 4.170 -0.000 0.000 0.286 1345 I C -0.819 175.242 176.117 -0.094 0.000 1.002 1345 I CA -0.439 60.773 61.300 -0.148 0.000 1.135 1345 I CB 0.553 38.503 38.000 -0.084 0.000 1.288 1345 I HN 0.478 nan 8.210 nan 0.000 0.448 1346 K N 7.466 127.801 120.400 -0.109 0.000 2.395 1346 K HA 0.652 4.972 4.320 -0.000 0.000 0.247 1346 K C -2.592 173.970 176.600 -0.063 0.000 0.973 1346 K CA -1.706 54.539 56.287 -0.070 0.000 0.828 1346 K CB 1.450 33.912 32.500 -0.062 0.000 1.272 1346 K HN 0.255 nan 8.250 nan 0.000 0.439 1347 P HA 0.070 nan 4.420 nan 0.000 0.296 1347 P C -1.206 176.080 177.300 -0.023 0.000 1.295 1347 P CA -0.370 62.718 63.100 -0.019 0.000 0.754 1347 P CB 0.413 32.109 31.700 -0.007 0.000 1.311 1348 A N -0.921 121.893 122.820 -0.010 0.000 2.423 1348 A HA 0.721 5.041 4.320 -0.000 0.000 0.304 1348 A C -2.142 175.441 177.584 -0.002 0.000 1.104 1348 A CA -1.077 50.953 52.037 -0.011 0.000 0.757 1348 A CB -1.234 17.759 19.000 -0.011 0.000 1.313 1348 A HN 0.422 nan 8.150 nan 0.000 0.423 1360 N N 2.689 121.391 118.700 0.002 0.000 3.245 1360 N HA 0.144 4.884 4.740 -0.000 0.000 0.296 1360 N C -1.283 174.311 175.510 0.140 0.000 1.254 1360 N CA 0.269 53.360 53.050 0.069 0.000 1.190 1360 N CB 0.770 39.316 38.487 0.099 0.000 1.460 1360 N HN 0.251 nan 8.380 nan 0.000 0.538 1361 T N 1.330 115.934 114.554 0.083 0.000 2.946 1361 T HA 0.080 4.429 4.350 -0.000 0.000 0.312 1361 T C 0.746 175.461 174.700 0.026 0.000 1.066 1361 T CA 0.517 62.614 62.100 -0.006 0.000 1.138 1361 T CB 0.445 69.224 68.868 -0.147 0.000 1.014 1361 T HN 0.230 nan 8.240 nan 0.000 0.544 1362 M N 2.105 121.711 119.600 0.011 0.000 2.667 1362 M HA 0.543 5.023 4.480 -0.000 0.000 0.286 1362 M C -0.975 175.262 176.300 -0.104 0.000 1.270 1362 M CA -0.857 54.424 55.300 -0.032 0.000 0.826 1362 M CB 2.281 34.859 32.600 -0.036 0.000 1.743 1362 M HN 0.390 nan 8.290 nan 0.000 0.460 1363 I N 2.170 122.658 120.570 -0.136 0.000 2.378 1363 I HA 0.362 4.532 4.170 -0.000 0.000 0.291 1363 I C -1.226 174.718 176.117 -0.290 0.000 0.992 1363 I CA -0.835 60.352 61.300 -0.189 0.000 1.154 1363 I CB 1.705 39.626 38.000 -0.132 0.000 1.315 1363 I HN 0.371 nan 8.210 nan 0.000 0.448 1364 L N 7.026 127.972 121.223 -0.462 0.000 2.297 1364 L HA 0.380 4.720 4.340 -0.000 0.000 0.277 1364 L C -0.074 176.479 176.870 -0.528 0.000 1.040 1364 L CA -0.032 54.445 54.840 -0.605 0.000 0.867 1364 L CB 0.829 42.344 42.059 -0.906 0.000 1.244 1364 L HN 0.560 nan 8.230 nan 0.000 0.433 1365 E N 5.078 125.078 120.200 -0.333 0.000 2.200 1365 E HA 0.396 4.746 4.350 -0.000 0.000 0.283 1365 E C -1.073 175.414 176.600 -0.189 0.000 1.015 1365 E CA -0.349 55.919 56.400 -0.221 0.000 0.819 1365 E CB 0.803 30.420 29.700 -0.138 0.000 1.081 1365 E HN 0.646 nan 8.360 nan 0.000 0.397 1366 I N 5.644 126.129 120.570 -0.142 0.000 2.437 1366 I HA 0.250 4.420 4.170 -0.000 0.000 0.279 1366 I C -0.650 175.447 176.117 -0.034 0.000 1.028 1366 I CA -0.835 60.411 61.300 -0.091 0.000 1.142 1366 I CB 1.065 39.016 38.000 -0.082 0.000 1.266 1366 I HN 0.528 nan 8.210 nan 0.000 0.461 1367 c N 3.627 122.216 118.600 -0.018 0.000 2.401 1367 c HA 0.731 5.301 4.570 -0.000 0.000 0.365 1367 c C 0.730 174.843 174.090 0.038 0.000 1.250 1367 c CA -0.232 56.103 56.329 0.010 0.000 2.131 1367 c CB 1.210 43.724 42.510 0.008 0.000 2.445 1367 c HN 0.753 nan 8.230 nan 0.000 0.550 1368 T N 2.673 117.266 114.554 0.065 0.000 2.956 1368 T HA 0.633 4.983 4.350 -0.000 0.000 0.312 1368 T C -1.111 173.674 174.700 0.142 0.000 1.151 1368 T CA -0.524 61.648 62.100 0.119 0.000 1.024 1368 T CB 1.096 70.049 68.868 0.141 0.000 1.140 1368 T HN 0.888 nan 8.240 nan 0.000 0.473 1369 R N 2.288 122.894 120.500 0.177 0.000 2.808 1369 R HA 0.613 4.953 4.340 -0.000 0.000 0.272 1369 R C -2.027 174.370 176.300 0.161 0.000 0.995 1369 R CA -0.821 55.369 56.100 0.150 0.000 0.917 1369 R CB 1.800 32.152 30.300 0.086 0.000 1.217 1369 R HN 0.689 nan 8.270 nan 0.000 0.471 1370 Y N 1.561 121.840 120.300 -0.035 0.000 2.352 1370 Y HA 0.429 4.979 4.550 -0.000 0.000 0.339 1370 Y C -0.584 175.245 175.900 -0.118 0.000 0.992 1370 Y CA -0.734 57.234 58.100 -0.221 0.000 1.100 1370 Y CB 1.417 39.747 38.460 -0.217 0.000 1.192 1370 Y HN 0.435 nan 8.280 nan 0.000 0.458 1371 R N 4.840 124.869 120.500 -0.785 0.000 2.593 1371 R HA 0.503 4.843 4.340 -0.000 0.000 0.282 1371 R C -0.318 175.607 176.300 -0.626 0.000 1.300 1371 R CA -0.019 55.776 56.100 -0.508 0.000 1.221 1371 R CB -0.010 30.069 30.300 -0.368 0.000 1.157 1371 R HN 0.912 nan 8.270 nan 0.000 0.555 1372 G N 0.349 109.002 108.800 -0.245 0.000 2.489 1372 G HA2 0.040 4.000 3.960 -0.000 0.000 0.305 1372 G HA3 0.040 4.000 3.960 -0.000 0.000 0.305 1372 G C -0.804 174.000 174.900 -0.160 0.000 1.311 1372 G CA -0.541 44.515 45.100 -0.073 0.000 0.813 1372 G HN 0.246 nan 8.290 nan 0.000 0.480 1373 D N 0.069 120.343 120.400 -0.209 0.000 2.369 1373 D HA 0.191 4.831 4.640 -0.000 0.000 0.211 1373 D C 0.351 176.305 176.300 -0.578 0.000 1.077 1373 D CA 0.571 54.324 54.000 -0.411 0.000 0.842 1373 D CB 0.661 41.360 40.800 -0.168 0.000 0.947 1373 D HN 0.227 nan 8.370 nan 0.000 0.509 1374 Q N 0.447 120.023 119.800 -0.373 0.000 2.377 1374 Q HA 0.275 4.615 4.340 -0.000 0.000 0.271 1374 Q C -0.779 175.229 176.000 0.012 0.000 1.077 1374 Q CA -0.633 55.075 55.803 -0.157 0.000 0.820 1374 Q CB 1.557 30.250 28.738 -0.076 0.000 1.347 1374 Q HN -0.109 nan 8.270 nan 0.000 0.444 1375 D N 1.795 122.288 120.400 0.156 0.000 2.367 1375 D HA 0.236 4.876 4.640 -0.000 0.000 0.255 1375 D C 0.065 176.293 176.300 -0.119 0.000 1.300 1375 D CA 0.180 54.243 54.000 0.104 0.000 0.959 1375 D CB 0.183 41.036 40.800 0.088 0.000 1.064 1375 D HN 0.550 nan 8.370 nan 0.000 0.509 1376 A N 3.024 125.595 122.820 -0.416 0.000 2.616 1376 A HA 0.113 4.433 4.320 -0.000 0.000 0.234 1376 A C 1.437 178.935 177.584 -0.144 0.000 1.024 1376 A CA 0.314 52.004 52.037 -0.578 0.000 0.758 1376 A CB -0.096 18.357 19.000 -0.912 0.000 0.939 1376 A HN 0.594 nan 8.150 nan 0.000 0.510 1377 T N 1.668 116.214 114.554 -0.013 0.000 3.568 1377 T HA 0.354 4.704 4.350 -0.000 0.000 0.406 1377 T C 0.778 175.557 174.700 0.131 0.000 1.191 1377 T CA 0.015 62.178 62.100 0.105 0.000 1.041 1377 T CB -0.113 68.901 68.868 0.243 0.000 1.593 1377 T HN 0.559 nan 8.240 nan 0.000 0.529 1378 M N 1.562 121.261 119.600 0.165 0.000 2.260 1378 M HA 0.250 4.730 4.480 -0.000 0.000 0.348 1378 M C -0.027 176.368 176.300 0.159 0.000 1.342 1378 M CA 0.200 55.572 55.300 0.121 0.000 1.040 1378 M CB 0.083 32.695 32.600 0.019 0.000 1.810 1378 M HN 0.568 nan 8.290 nan 0.000 0.453 1379 S N 2.512 118.262 115.700 0.083 0.000 2.745 1379 S HA 0.838 5.308 4.470 -0.000 0.000 0.306 1379 S C -0.785 173.741 174.600 -0.123 0.000 1.137 1379 S CA -0.770 57.417 58.200 -0.022 0.000 0.900 1379 S CB 1.655 64.865 63.200 0.017 0.000 1.176 1379 S HN 0.480 nan 8.310 nan 0.000 0.520 1380 I N 0.908 121.234 120.570 -0.406 0.000 2.689 1380 I HA 0.488 4.658 4.170 -0.000 0.000 0.299 1380 I C -1.106 174.755 176.117 -0.427 0.000 1.059 1380 I CA -0.224 60.786 61.300 -0.483 0.000 1.055 1380 I CB 1.540 39.050 38.000 -0.817 0.000 1.243 1380 I HN 0.387 nan 8.210 nan 0.000 0.425 1381 L N 4.282 125.312 121.223 -0.322 0.000 2.433 1381 L HA 0.364 4.704 4.340 -0.000 0.000 0.256 1381 L C -1.021 175.748 176.870 -0.168 0.000 1.063 1381 L CA -0.412 54.307 54.840 -0.202 0.000 0.922 1381 L CB 0.887 42.864 42.059 -0.137 0.000 1.238 1381 L HN 0.507 nan 8.230 nan 0.000 0.466 1382 D N 4.189 124.535 120.400 -0.091 0.000 2.339 1382 D HA 0.368 5.008 4.640 -0.000 0.000 0.241 1382 D C -0.465 175.825 176.300 -0.016 0.000 1.183 1382 D CA 0.135 54.110 54.000 -0.041 0.000 0.859 1382 D CB 0.708 41.532 40.800 0.041 0.000 1.067 1382 D HN 0.242 nan 8.370 nan 0.000 0.484 1383 I N 2.374 122.942 120.570 -0.002 0.000 2.433 1383 I HA 0.243 4.413 4.170 -0.000 0.000 0.292 1383 I C -0.049 176.115 176.117 0.078 0.000 1.001 1383 I CA -0.896 60.442 61.300 0.064 0.000 1.119 1383 I CB 1.941 40.012 38.000 0.118 0.000 1.289 1383 I HN 0.308 nan 8.210 nan 0.000 0.438 1384 S N 6.704 122.469 115.700 0.108 0.000 2.530 1384 S HA 0.573 5.043 4.470 -0.000 0.000 0.322 1384 S C -0.258 174.429 174.600 0.145 0.000 1.085 1384 S CA -0.998 57.256 58.200 0.090 0.000 1.096 1384 S CB 1.281 64.507 63.200 0.043 0.000 0.988 1384 S HN 0.390 nan 8.310 nan 0.000 0.466 1385 M N 2.841 122.542 119.600 0.168 0.000 2.232 1385 M HA 0.238 4.718 4.480 -0.000 0.000 0.321 1385 M C 0.407 176.791 176.300 0.140 0.000 1.101 1385 M CA 0.385 55.827 55.300 0.237 0.000 1.181 1385 M CB -0.192 32.570 32.600 0.269 0.000 1.432 1385 M HN 0.688 nan 8.290 nan 0.000 0.457 1386 M N 0.709 120.388 119.600 0.130 0.000 2.200 1386 M HA 0.057 4.537 4.480 -0.000 0.000 0.355 1386 M C 0.669 177.107 176.300 0.230 0.000 1.283 1386 M CA 0.040 55.372 55.300 0.053 0.000 1.124 1386 M CB 0.244 32.752 32.600 -0.153 0.000 1.625 1386 M HN 0.623 nan 8.290 nan 0.000 0.463 1387 T N 2.803 117.451 114.554 0.157 0.000 2.708 1387 T HA 0.215 4.565 4.350 -0.000 0.000 0.271 1387 T C 1.048 175.851 174.700 0.172 0.000 0.985 1387 T CA 1.581 63.764 62.100 0.138 0.000 1.229 1387 T CB -0.661 68.255 68.868 0.080 0.000 0.934 1387 T HN 0.990 nan 8.240 nan 0.000 0.522 1388 G N 3.836 112.680 108.800 0.072 0.000 2.159 1388 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.170 1388 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.170 1388 G C -0.238 174.413 174.900 -0.415 0.000 1.007 1388 G CA -0.499 44.452 45.100 -0.248 0.000 0.672 1388 G HN 0.644 nan 8.290 nan 0.000 0.507 1389 F N 0.673 120.651 119.950 0.047 0.000 2.565 1389 F HA 0.821 5.348 4.527 -0.000 0.000 0.313 1389 F C 0.272 176.362 175.800 0.484 0.000 1.091 1389 F CA -0.263 57.894 58.000 0.261 0.000 0.915 1389 F CB 2.517 41.629 39.000 0.186 0.000 1.208 1389 F HN 0.443 nan 8.300 nan 0.000 0.453 1390 A N 3.262 126.480 122.820 0.664 0.000 2.486 1390 A HA 0.856 5.176 4.320 -0.000 0.000 0.300 1390 A C -3.050 174.686 177.584 0.253 0.000 1.048 1390 A CA -2.008 50.235 52.037 0.343 0.000 0.696 1390 A CB 1.681 20.709 19.000 0.047 0.000 1.278 1390 A HN 0.373 nan 8.150 nan 0.000 0.405 1391 P HA 0.149 nan 4.420 nan 0.000 0.269 1391 P C -0.816 176.511 177.300 0.044 0.000 1.209 1391 P CA 0.121 63.304 63.100 0.139 0.000 0.776 1391 P CB 0.496 32.139 31.700 -0.095 0.000 0.876 1392 D N 1.362 121.903 120.400 0.235 0.000 2.346 1392 D HA -0.010 4.630 4.640 -0.000 0.000 0.260 1392 D C 1.201 177.533 176.300 0.055 0.000 1.252 1392 D CA 0.268 54.434 54.000 0.275 0.000 0.895 1392 D CB 0.342 41.378 40.800 0.393 0.000 1.097 1392 D HN 0.331 nan 8.370 nan 0.000 0.489 1393 T N 1.107 115.645 114.554 -0.026 0.000 2.685 1393 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 1393 T C 1.227 175.908 174.700 -0.031 0.000 1.034 1393 T CA 1.405 63.457 62.100 -0.080 0.000 1.149 1393 T CB -0.182 68.644 68.868 -0.070 0.000 0.860 1393 T HN 0.307 nan 8.240 nan 0.000 0.449 1394 D N 1.850 122.268 120.400 0.029 0.000 2.104 1394 D HA -0.070 4.570 4.640 -0.000 0.000 0.194 1394 D C 1.944 178.258 176.300 0.024 0.000 0.994 1394 D CA 1.478 55.498 54.000 0.032 0.000 0.830 1394 D CB -0.656 40.181 40.800 0.062 0.000 0.959 1394 D HN 0.455 nan 8.370 nan 0.000 0.452 1395 D N -0.204 120.225 120.400 0.048 0.000 2.178 1395 D HA -0.045 4.595 4.640 -0.000 0.000 0.202 1395 D C 2.202 178.489 176.300 -0.022 0.000 0.974 1395 D CA 0.265 54.295 54.000 0.051 0.000 0.841 1395 D CB -0.184 40.698 40.800 0.136 0.000 0.953 1395 D HN 0.210 nan 8.370 nan 0.000 0.478 1396 L N 0.105 121.267 121.223 -0.102 0.000 2.056 1396 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 1396 L C 2.145 178.945 176.870 -0.117 0.000 1.078 1396 L CA 0.959 55.685 54.840 -0.190 0.000 0.749 1396 L CB -0.242 41.664 42.059 -0.255 0.000 0.901 1396 L HN -0.090 nan 8.230 nan 0.000 0.433 1397 K N 0.030 120.384 120.400 -0.076 0.000 2.063 1397 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 1397 K C 2.053 178.636 176.600 -0.027 0.000 1.048 1397 K CA 1.224 57.482 56.287 -0.049 0.000 0.928 1397 K CB -0.363 32.118 32.500 -0.031 0.000 0.713 1397 K HN 0.092 nan 8.250 nan 0.000 0.442 1398 Q N 0.537 120.327 119.800 -0.015 0.000 2.084 1398 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 1398 Q C 1.703 177.704 176.000 0.001 0.000 0.978 1398 Q CA 1.554 57.358 55.803 0.001 0.000 0.844 1398 Q CB -0.138 28.610 28.738 0.016 0.000 0.898 1398 Q HN 0.347 nan 8.270 nan 0.000 0.426 1399 L N -0.586 120.630 121.223 -0.012 0.000 2.179 1399 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 1399 L C 2.353 179.214 176.870 -0.014 0.000 1.096 1399 L CA 0.714 55.549 54.840 -0.009 0.000 0.779 1399 L CB -0.692 41.353 42.059 -0.024 0.000 0.922 1399 L HN 0.279 nan 8.230 nan 0.000 0.443 1400 A N 0.602 123.401 122.820 -0.035 0.000 1.902 1400 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 1400 A C 1.962 179.560 177.584 0.025 0.000 1.181 1400 A CA 1.812 53.835 52.037 -0.023 0.000 0.623 1400 A CB -0.468 18.498 19.000 -0.056 0.000 0.818 1400 A HN 0.406 nan 8.150 nan 0.000 0.443 1401 N N 0.427 119.137 118.700 0.016 0.000 2.409 1401 N HA 0.038 4.778 4.740 -0.000 0.000 0.179 1401 N C 1.137 176.664 175.510 0.029 0.000 1.032 1401 N CA 0.756 53.822 53.050 0.026 0.000 0.898 1401 N CB -0.659 37.838 38.487 0.016 0.000 0.971 1401 N HN 0.435 nan 8.380 nan 0.000 0.441 1402 G N 0.594 109.409 108.800 0.026 0.000 2.559 1402 G HA2 0.149 4.108 3.960 -0.000 0.000 0.235 1402 G HA3 0.149 4.108 3.960 -0.000 0.000 0.235 1402 G C 0.022 174.942 174.900 0.034 0.000 1.266 1402 G CA -0.342 44.774 45.100 0.027 0.000 0.847 1402 G HN 0.112 nan 8.290 nan 0.000 0.583 1403 V N 1.807 121.737 119.914 0.028 0.000 2.715 1403 V HA 0.228 4.348 4.120 -0.000 0.000 0.299 1403 V C 0.662 176.776 176.094 0.034 0.000 1.054 1403 V CA 0.736 63.052 62.300 0.027 0.000 1.077 1403 V CB 0.709 32.543 31.823 0.018 0.000 0.972 1403 V HN 0.975 nan 8.190 nan 0.000 0.484 1404 D N 3.078 123.499 120.400 0.036 0.000 3.076 1404 D HA -0.153 4.487 4.640 -0.000 0.000 0.218 1404 D C 0.135 176.474 176.300 0.065 0.000 1.156 1404 D CA 1.244 55.270 54.000 0.043 0.000 0.921 1404 D CB -0.858 39.963 40.800 0.034 0.000 1.113 1404 D HN 0.786 nan 8.370 nan 0.000 0.418 1405 R N -0.205 120.343 120.500 0.080 0.000 2.575 1405 R HA 0.577 4.917 4.340 -0.000 0.000 0.293 1405 R C -1.085 175.314 176.300 0.165 0.000 0.983 1405 R CA -0.833 55.327 56.100 0.100 0.000 0.887 1405 R CB 2.320 32.654 30.300 0.055 0.000 1.184 1405 R HN 0.108 nan 8.270 nan 0.000 0.445 1406 Y N 3.300 123.630 120.300 0.051 0.000 2.470 1406 Y HA 0.567 5.117 4.550 -0.000 0.000 0.341 1406 Y C -1.652 174.320 175.900 0.120 0.000 1.021 1406 Y CA -0.893 57.243 58.100 0.061 0.000 1.025 1406 Y CB 1.477 39.961 38.460 0.040 0.000 1.266 1406 Y HN 0.510 nan 8.280 nan 0.000 0.448 1407 I N 5.734 125.880 120.570 -0.707 0.000 2.439 1407 I HA 0.272 4.442 4.170 -0.000 0.000 0.285 1407 I C -0.300 175.345 176.117 -0.786 0.000 1.021 1407 I CA -1.086 59.827 61.300 -0.644 0.000 1.091 1407 I CB 2.060 39.873 38.000 -0.312 0.000 1.242 1407 I HN 0.797 nan 8.210 nan 0.000 0.439 1408 S N 4.740 120.049 115.700 -0.652 0.000 2.642 1408 S HA -0.086 4.384 4.470 -0.000 0.000 0.308 1408 S C 1.127 175.694 174.600 -0.055 0.000 1.255 1408 S CA -0.159 57.920 58.200 -0.202 0.000 1.057 1408 S CB 0.862 64.118 63.200 0.093 0.000 0.785 1408 S HN 0.857 nan 8.310 nan 0.000 0.500 1409 K N 2.150 122.582 120.400 0.053 0.000 2.152 1409 K HA -0.229 4.091 4.320 -0.000 0.000 0.206 1409 K C 1.681 178.310 176.600 0.049 0.000 1.048 1409 K CA 1.599 57.912 56.287 0.045 0.000 0.933 1409 K CB -0.342 32.205 32.500 0.078 0.000 0.721 1409 K HN 0.862 nan 8.250 nan 0.000 0.447 1410 Y N 1.238 121.528 120.300 -0.017 0.000 2.274 1410 Y HA -0.211 4.339 4.550 -0.000 0.000 0.290 1410 Y C 1.931 177.800 175.900 -0.051 0.000 1.145 1410 Y CA 1.924 60.011 58.100 -0.022 0.000 1.203 1410 Y CB 0.094 38.554 38.460 0.000 0.000 0.984 1410 Y HN 0.179 nan 8.280 nan 0.000 0.533 1411 E N -0.591 119.622 120.200 0.022 0.000 2.318 1411 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 1411 E C 1.641 178.146 176.600 -0.157 0.000 0.998 1411 E CA 0.506 56.861 56.400 -0.076 0.000 0.859 1411 E CB -0.176 29.498 29.700 -0.043 0.000 0.812 1411 E HN 0.404 nan 8.360 nan 0.000 0.492 1412 L N 1.259 122.399 121.223 -0.139 0.000 1.961 1412 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 1412 L C 0.690 177.465 176.870 -0.158 0.000 1.075 1412 L CA 1.712 56.465 54.840 -0.144 0.000 0.749 1412 L CB -0.803 41.193 42.059 -0.105 0.000 0.890 1412 L HN 0.194 nan 8.230 nan 0.000 0.433 1413 D N -0.417 119.892 120.400 -0.152 0.000 2.671 1413 D HA 0.005 4.645 4.640 -0.000 0.000 0.228 1413 D C 0.684 176.864 176.300 -0.199 0.000 1.102 1413 D CA 0.237 54.148 54.000 -0.149 0.000 1.044 1413 D CB -0.073 40.657 40.800 -0.117 0.000 1.113 1413 D HN 0.290 nan 8.370 nan 0.000 0.480 1414 K N 0.354 120.630 120.400 -0.206 0.000 2.436 1414 K HA 0.412 4.732 4.320 -0.000 0.000 0.198 1414 K C 0.546 177.038 176.600 -0.179 0.000 1.174 1414 K CA 0.259 56.414 56.287 -0.219 0.000 0.951 1414 K CB 0.635 32.988 32.500 -0.245 0.000 1.040 1414 K HN 0.385 nan 8.250 nan 0.000 0.536 1415 A N 0.676 123.392 122.820 -0.173 0.000 6.647 1415 A HA -0.248 4.072 4.320 -0.000 0.000 0.236 1415 A C 0.298 177.760 177.584 -0.204 0.000 2.220 1415 A CA 0.440 52.403 52.037 -0.123 0.000 0.695 1415 A CB -1.496 17.480 19.000 -0.040 0.000 0.942 1415 A HN 0.253 nan 8.150 nan 0.000 0.371 1416 F N 0.844 120.665 119.950 -0.215 0.000 2.805 1416 F HA 0.060 4.587 4.527 -0.000 0.000 0.301 1416 F C 2.394 177.934 175.800 -0.433 0.000 1.196 1416 F CA 1.500 59.283 58.000 -0.361 0.000 1.439 1416 F CB -0.227 38.560 39.000 -0.356 0.000 1.117 1416 F HN 0.677 nan 8.300 nan 0.000 0.581 1417 S N -0.117 115.497 115.700 -0.142 0.000 2.363 1417 S HA -0.162 4.308 4.470 -0.000 0.000 0.218 1417 S C 0.616 175.112 174.600 -0.173 0.000 1.035 1417 S CA 1.685 59.801 58.200 -0.138 0.000 1.043 1417 S CB -0.077 63.059 63.200 -0.107 0.000 0.986 1417 S HN 0.239 nan 8.310 nan 0.000 0.423 1418 D N -0.067 120.229 120.400 -0.173 0.000 2.668 1418 D HA 0.240 4.880 4.640 -0.000 0.000 0.247 1418 D C -0.796 175.419 176.300 -0.141 0.000 1.268 1418 D CA -0.099 53.819 54.000 -0.137 0.000 0.842 1418 D CB 0.596 41.338 40.800 -0.097 0.000 1.399 1418 D HN 0.238 nan 8.370 nan 0.000 0.530 1419 R N 2.040 122.440 120.500 -0.167 0.000 3.135 1419 R HA 0.092 4.432 4.340 -0.000 0.000 0.343 1419 R C 0.622 176.883 176.300 -0.064 0.000 1.227 1419 R CA -0.242 55.770 56.100 -0.146 0.000 1.227 1419 R CB -0.060 30.103 30.300 -0.229 0.000 1.436 1419 R HN 0.054 nan 8.270 nan 0.000 0.595 1420 N N -0.650 118.042 118.700 -0.013 0.000 2.467 1420 N HA -0.069 4.671 4.740 -0.000 0.000 0.184 1420 N C -0.163 175.369 175.510 0.037 0.000 1.106 1420 N CA 0.337 53.420 53.050 0.054 0.000 0.892 1420 N CB 0.468 38.993 38.487 0.064 0.000 0.969 1420 N HN 0.209 nan 8.380 nan 0.000 0.454 1421 T N -1.740 112.813 114.554 -0.002 0.000 2.881 1421 T HA 0.585 4.934 4.350 -0.000 0.000 0.291 1421 T C -0.993 173.685 174.700 -0.036 0.000 0.990 1421 T CA -0.977 61.119 62.100 -0.007 0.000 0.976 1421 T CB 1.529 70.389 68.868 -0.014 0.000 0.970 1421 T HN 0.061 nan 8.240 nan 0.000 0.438 1422 L N 3.718 124.915 121.223 -0.044 0.000 2.386 1422 L HA 0.751 5.091 4.340 -0.000 0.000 0.271 1422 L C -1.383 175.404 176.870 -0.138 0.000 0.993 1422 L CA -1.184 53.593 54.840 -0.104 0.000 0.819 1422 L CB 1.659 43.634 42.059 -0.140 0.000 1.294 1422 L HN 0.823 nan 8.230 nan 0.000 0.414 1423 I N 6.512 126.954 120.570 -0.212 0.000 2.390 1423 I HA 0.365 4.535 4.170 -0.000 0.000 0.283 1423 I C -0.644 175.173 176.117 -0.500 0.000 1.016 1423 I CA -0.300 60.778 61.300 -0.369 0.000 1.151 1423 I CB 1.259 38.986 38.000 -0.456 0.000 1.293 1423 I HN 0.479 nan 8.210 nan 0.000 0.458 1424 I N 6.924 127.257 120.570 -0.395 0.000 2.310 1424 I HA 0.221 4.391 4.170 -0.000 0.000 0.287 1424 I C -0.430 175.531 176.117 -0.259 0.000 1.073 1424 I CA -0.595 60.532 61.300 -0.290 0.000 1.216 1424 I CB 0.002 37.906 38.000 -0.161 0.000 1.415 1424 I HN 0.389 nan 8.210 nan 0.000 0.480 1425 Y N 6.028 126.295 120.300 -0.055 0.000 2.480 1425 Y HA 0.304 4.854 4.550 -0.000 0.000 0.338 1425 Y C 0.367 176.280 175.900 0.022 0.000 1.220 1425 Y CA 0.050 58.151 58.100 0.002 0.000 1.430 1425 Y CB 0.402 38.935 38.460 0.122 0.000 1.311 1425 Y HN 0.363 nan 8.280 nan 0.000 0.575 1426 L N 2.131 123.447 121.223 0.155 0.000 2.341 1426 L HA 0.370 4.710 4.340 -0.000 0.000 0.267 1426 L C -0.003 176.922 176.870 0.091 0.000 1.009 1426 L CA -0.788 54.113 54.840 0.101 0.000 0.819 1426 L CB 1.907 44.001 42.059 0.058 0.000 1.323 1426 L HN 0.564 nan 8.230 nan 0.000 0.425 1427 D N 0.504 120.945 120.400 0.068 0.000 2.301 1427 D HA 0.052 4.692 4.640 -0.000 0.000 0.206 1427 D C -0.072 176.252 176.300 0.041 0.000 0.979 1427 D CA 0.880 54.904 54.000 0.041 0.000 0.874 1427 D CB 0.487 41.303 40.800 0.025 0.000 0.968 1427 D HN 0.504 nan 8.370 nan 0.000 0.510 1428 K N -1.228 119.200 120.400 0.048 0.000 2.660 1428 K HA 0.468 4.788 4.320 -0.000 0.000 0.285 1428 K C -1.545 175.088 176.600 0.055 0.000 0.997 1428 K CA -1.013 55.300 56.287 0.043 0.000 0.861 1428 K CB 1.743 34.259 32.500 0.026 0.000 1.469 1428 K HN -0.181 nan 8.250 nan 0.000 0.395 1429 V N -1.632 118.313 119.914 0.053 0.000 2.567 1429 V HA 0.476 4.596 4.120 -0.000 0.000 0.298 1429 V C -0.084 176.050 176.094 0.067 0.000 1.047 1429 V CA -0.714 61.636 62.300 0.084 0.000 0.880 1429 V CB 1.137 33.064 31.823 0.174 0.000 1.009 1429 V HN 0.879 nan 8.190 nan 0.000 0.429 1430 S N 3.344 119.072 115.700 0.047 0.000 2.558 1430 S HA 0.067 4.537 4.470 -0.000 0.000 0.288 1430 S C 1.253 175.888 174.600 0.058 0.000 1.318 1430 S CA 0.533 58.736 58.200 0.006 0.000 1.056 1430 S CB 0.125 63.291 63.200 -0.056 0.000 0.853 1430 S HN 1.192 nan 8.310 nan 0.000 0.505 1431 H N 2.736 121.859 119.070 0.088 0.000 2.539 1431 H HA 0.229 4.785 4.556 -0.000 0.000 0.267 1431 H C 1.211 176.582 175.328 0.071 0.000 0.982 1431 H CA 0.465 56.593 56.048 0.134 0.000 1.146 1431 H CB -0.178 29.701 29.762 0.195 0.000 1.382 1431 H HN 0.459 nan 8.280 nan 0.000 0.577 1432 S N 0.576 116.083 115.700 -0.321 0.000 2.289 1432 S HA 0.040 4.509 4.470 -0.000 0.000 0.193 1432 S C 0.786 175.347 174.600 -0.065 0.000 1.002 1432 S CA 0.072 58.150 58.200 -0.203 0.000 0.951 1432 S CB 0.424 63.467 63.200 -0.261 0.000 0.920 1432 S HN 0.459 nan 8.310 nan 0.000 0.502 1433 E N 0.973 121.137 120.200 -0.059 0.000 2.700 1433 E HA 0.311 4.661 4.350 -0.000 0.000 0.253 1433 E C -1.327 175.277 176.600 0.006 0.000 1.175 1433 E CA -0.636 55.753 56.400 -0.018 0.000 1.010 1433 E CB 0.332 30.021 29.700 -0.019 0.000 1.284 1433 E HN 0.151 nan 8.360 nan 0.000 0.557 1434 D N 1.229 121.638 120.400 0.015 0.000 2.274 1434 D HA 0.170 4.810 4.640 -0.000 0.000 0.239 1434 D C -1.096 175.220 176.300 0.028 0.000 1.104 1434 D CA -0.272 53.747 54.000 0.031 0.000 0.840 1434 D CB 0.793 41.610 40.800 0.029 0.000 1.100 1434 D HN 0.130 nan 8.370 nan 0.000 0.477 1435 D N 1.791 122.215 120.400 0.041 0.000 2.608 1435 D HA 0.058 4.698 4.640 -0.000 0.000 0.224 1435 D C -0.059 176.261 176.300 0.033 0.000 1.123 1435 D CA -0.174 53.848 54.000 0.036 0.000 1.030 1435 D CB -0.423 40.406 40.800 0.048 0.000 1.093 1435 D HN 0.231 nan 8.370 nan 0.000 0.497 1436 c N 1.935 120.547 118.600 0.021 0.000 2.601 1436 c HA 0.582 5.152 4.570 -0.000 0.000 0.409 1436 c C 0.514 174.611 174.090 0.010 0.000 1.293 1436 c CA -0.741 55.594 56.329 0.010 0.000 2.101 1436 c CB -1.024 41.485 42.510 -0.001 0.000 2.639 1436 c HN 0.501 nan 8.230 nan 0.000 0.592 1437 L N 1.616 122.844 121.223 0.007 0.000 2.403 1437 L HA 1.110 5.450 4.340 -0.000 0.000 0.253 1437 L C -0.441 176.425 176.870 -0.006 0.000 1.045 1437 L CA -0.640 54.214 54.840 0.022 0.000 0.845 1437 L CB 1.323 43.415 42.059 0.056 0.000 1.447 1437 L HN 0.826 nan 8.230 nan 0.000 0.411 1438 A N 0.209 123.044 122.820 0.024 0.000 2.586 1438 A HA 0.934 5.254 4.320 -0.000 0.000 0.290 1438 A C -1.610 176.019 177.584 0.074 0.000 1.086 1438 A CA -0.156 51.832 52.037 -0.081 0.000 0.665 1438 A CB 1.281 20.202 19.000 -0.131 0.000 1.279 1438 A HN 1.738 nan 8.150 nan 0.000 0.423 1439 F N -1.658 118.254 119.950 -0.063 0.000 2.741 1439 F HA 0.702 5.229 4.527 -0.000 0.000 0.311 1439 F C -0.752 175.017 175.800 -0.051 0.000 1.149 1439 F CA -1.100 56.873 58.000 -0.045 0.000 0.930 1439 F CB 0.841 39.817 39.000 -0.040 0.000 1.312 1439 F HN 0.534 nan 8.300 nan 0.000 0.450 1440 K N 1.316 121.831 120.400 0.192 0.000 2.154 1440 K HA 0.686 5.006 4.320 -0.000 0.000 0.264 1440 K C -1.012 175.679 176.600 0.152 0.000 1.008 1440 K CA -0.870 55.448 56.287 0.051 0.000 0.937 1440 K CB 1.834 34.332 32.500 -0.003 0.000 1.002 1440 K HN 0.691 nan 8.250 nan 0.000 0.469 1441 V N -0.619 119.316 119.914 0.034 0.000 2.498 1441 V HA 0.267 4.387 4.120 -0.000 0.000 0.283 1441 V C -0.557 175.697 176.094 0.268 0.000 1.015 1441 V CA -1.018 61.422 62.300 0.232 0.000 0.867 1441 V CB 0.830 32.811 31.823 0.263 0.000 1.025 1441 V HN 0.693 nan 8.190 nan 0.000 0.441 1442 H N 3.099 122.410 119.070 0.401 0.000 2.551 1442 H HA 0.347 4.903 4.556 -0.000 0.000 0.358 1442 H C -0.349 175.068 175.328 0.149 0.000 1.151 1442 H CA -0.178 56.048 56.048 0.296 0.000 1.374 1442 H CB 2.138 32.073 29.762 0.289 0.000 1.473 1442 H HN 0.813 nan 8.280 nan 0.000 0.574 1443 Q N 2.888 122.622 119.800 -0.110 0.000 2.503 1443 Q HA 0.039 4.379 4.340 -0.000 0.000 0.227 1443 Q C 0.027 175.870 176.000 -0.262 0.000 1.109 1443 Q CA -0.610 54.795 55.803 -0.663 0.000 0.922 1443 Q CB 0.078 28.215 28.738 -1.001 0.000 1.249 1443 Q HN 0.684 nan 8.270 nan 0.000 0.530 1444 Y N 2.780 123.026 120.300 -0.089 0.000 2.457 1444 Y HA 0.220 4.770 4.550 -0.000 0.000 0.292 1444 Y C -0.463 175.461 175.900 0.039 0.000 1.125 1444 Y CA -0.290 57.792 58.100 -0.029 0.000 1.254 1444 Y CB 0.246 38.761 38.460 0.091 0.000 1.012 1444 Y HN 0.390 nan 8.280 nan 0.000 0.555 1445 F N 2.423 121.945 119.950 -0.714 0.000 2.562 1445 F HA 0.413 4.940 4.527 -0.000 0.000 0.319 1445 F C -0.953 174.618 175.800 -0.381 0.000 1.154 1445 F CA -1.511 56.210 58.000 -0.465 0.000 0.931 1445 F CB 0.962 39.666 39.000 -0.494 0.000 1.198 1445 F HN -0.067 nan 8.300 nan 0.000 0.444 1446 N N 4.857 123.162 118.700 -0.659 0.000 2.456 1446 N HA 0.606 5.346 4.740 -0.000 0.000 0.288 1446 N C -1.835 173.444 175.510 -0.386 0.000 1.059 1446 N CA 0.039 52.837 53.050 -0.420 0.000 0.946 1446 N CB 1.959 40.248 38.487 -0.330 0.000 1.150 1446 N HN 0.630 nan 8.380 nan 0.000 0.479 1447 V N 2.858 122.694 119.914 -0.130 0.000 2.966 1447 V HA 0.209 4.329 4.120 -0.000 0.000 0.288 1447 V C -0.924 175.181 176.094 0.019 0.000 1.380 1447 V CA -0.853 61.430 62.300 -0.029 0.000 0.966 1447 V CB 1.794 33.688 31.823 0.118 0.000 1.115 1447 V HN 0.840 nan 8.190 nan 0.000 0.436 1448 E N 6.604 126.814 120.200 0.017 0.000 2.404 1448 E HA 0.491 4.841 4.350 -0.000 0.000 0.261 1448 E C -0.322 176.317 176.600 0.064 0.000 1.074 1448 E CA -0.305 56.115 56.400 0.033 0.000 0.917 1448 E CB 0.686 30.395 29.700 0.016 0.000 0.965 1448 E HN 0.878 nan 8.360 nan 0.000 0.433 1449 L N 1.228 122.498 121.223 0.078 0.000 3.423 1449 L HA -0.248 4.092 4.340 -0.000 0.000 0.671 1449 L C -0.533 176.421 176.870 0.141 0.000 1.083 1449 L CA 0.078 54.982 54.840 0.107 0.000 1.201 1449 L CB -1.753 40.364 42.059 0.097 0.000 1.578 1449 L HN 0.598 nan 8.230 nan 0.000 0.839 1450 I N -0.927 119.743 120.570 0.167 0.000 2.488 1450 I HA 0.519 4.689 4.170 -0.000 0.000 0.299 1450 I C 0.378 176.615 176.117 0.200 0.000 0.984 1450 I CA -0.249 61.155 61.300 0.173 0.000 1.250 1450 I CB 1.199 39.296 38.000 0.162 0.000 1.389 1450 I HN 0.393 nan 8.210 nan 0.000 0.488 1451 Q N 5.194 125.099 119.800 0.175 0.000 2.279 1451 Q HA 0.452 4.791 4.340 -0.000 0.000 0.256 1451 Q C -2.374 173.681 176.000 0.092 0.000 0.937 1451 Q CA -1.893 54.001 55.803 0.151 0.000 0.933 1451 Q CB 1.035 29.880 28.738 0.179 0.000 1.189 1451 Q HN 0.486 nan 8.270 nan 0.000 0.417 1452 P HA -0.009 nan 4.420 nan 0.000 0.265 1452 P C -0.390 176.833 177.300 -0.129 0.000 1.193 1452 P CA 0.171 63.286 63.100 0.024 0.000 0.765 1452 P CB 0.675 32.394 31.700 0.032 0.000 0.823 1453 G N 1.444 109.917 108.800 -0.544 0.000 2.588 1453 G HA2 0.607 4.567 3.960 -0.000 0.000 0.281 1453 G HA3 0.607 4.567 3.960 -0.000 0.000 0.281 1453 G C -1.055 173.640 174.900 -0.341 0.000 1.236 1453 G CA -0.249 44.478 45.100 -0.622 0.000 0.969 1453 G HN 0.655 nan 8.290 nan 0.000 0.504 1454 A N -1.576 121.176 122.820 -0.114 0.000 2.572 1454 A HA 0.724 5.044 4.320 -0.000 0.000 0.295 1454 A C -1.357 176.212 177.584 -0.026 0.000 1.072 1454 A CA -0.460 51.476 52.037 -0.169 0.000 0.691 1454 A CB 1.942 20.723 19.000 -0.364 0.000 1.291 1454 A HN 1.249 nan 8.150 nan 0.000 0.404 1455 V N 1.164 121.010 119.914 -0.113 0.000 2.686 1455 V HA 0.632 4.752 4.120 -0.000 0.000 0.306 1455 V C -0.333 175.695 176.094 -0.109 0.000 1.065 1455 V CA -0.636 61.633 62.300 -0.051 0.000 0.894 1455 V CB 1.870 33.690 31.823 -0.006 0.000 1.004 1455 V HN 0.942 nan 8.190 nan 0.000 0.424 1456 K N 3.379 123.739 120.400 -0.066 0.000 2.443 1456 K HA 0.840 5.160 4.320 -0.000 0.000 0.252 1456 K C -1.258 175.331 176.600 -0.018 0.000 0.933 1456 K CA -0.546 55.716 56.287 -0.042 0.000 0.792 1456 K CB 2.352 34.848 32.500 -0.007 0.000 1.185 1456 K HN 0.669 nan 8.250 nan 0.000 0.425 1457 V N 0.926 120.791 119.914 -0.082 0.000 2.864 1457 V HA 0.851 4.971 4.120 -0.000 0.000 0.314 1457 V C -1.366 174.529 176.094 -0.331 0.000 1.073 1457 V CA -0.576 61.554 62.300 -0.283 0.000 0.956 1457 V CB 1.027 32.594 31.823 -0.428 0.000 1.023 1457 V HN 0.938 nan 8.190 nan 0.000 0.435 1458 Y N 0.266 120.194 120.300 -0.620 0.000 2.765 1458 Y HA 0.851 5.401 4.550 -0.000 0.000 0.350 1458 Y C -0.388 175.379 175.900 -0.222 0.000 1.196 1458 Y CA -0.887 56.908 58.100 -0.508 0.000 1.119 1458 Y CB 0.276 38.580 38.460 -0.259 0.000 1.368 1458 Y HN 1.191 nan 8.280 nan 0.000 0.463 1459 A N 0.951 123.764 122.820 -0.013 0.000 2.272 1459 A HA 0.446 4.766 4.320 -0.000 0.000 0.275 1459 A C 0.138 177.643 177.584 -0.131 0.000 1.096 1459 A CA -0.036 51.899 52.037 -0.169 0.000 0.822 1459 A CB -0.238 18.370 19.000 -0.653 0.000 1.088 1459 A HN 1.403 nan 8.150 nan 0.000 0.495 1460 Y N -1.135 119.087 120.300 -0.130 0.000 2.544 1460 Y HA 0.025 4.575 4.550 -0.000 0.000 0.286 1460 Y C 1.282 177.242 175.900 0.101 0.000 1.141 1460 Y CA 1.243 59.366 58.100 0.039 0.000 1.299 1460 Y CB -0.687 37.822 38.460 0.082 0.000 1.030 1460 Y HN 0.657 nan 8.280 nan 0.000 0.543 1461 Y N -1.446 118.550 120.300 -0.507 0.000 2.500 1461 Y HA 0.329 4.878 4.550 -0.000 0.000 0.284 1461 Y C 0.350 176.182 175.900 -0.114 0.000 1.118 1461 Y CA -0.493 57.352 58.100 -0.425 0.000 1.241 1461 Y CB -0.248 37.870 38.460 -0.570 0.000 1.171 1461 Y HN 0.035 nan 8.280 nan 0.000 0.540 1462 N N 1.341 119.883 118.700 -0.263 0.000 2.443 1462 N HA 0.159 4.899 4.740 -0.000 0.000 0.269 1462 N C -0.156 175.327 175.510 -0.046 0.000 0.985 1462 N CA -0.297 52.727 53.050 -0.043 0.000 0.921 1462 N CB 2.020 40.547 38.487 0.067 0.000 1.195 1462 N HN 0.369 nan 8.380 nan 0.000 0.492 1463 L N 4.228 125.419 121.223 -0.055 0.000 2.202 1463 L HA 0.253 4.593 4.340 -0.000 0.000 0.205 1463 L C 1.508 178.277 176.870 -0.167 0.000 1.083 1463 L CA 1.613 56.341 54.840 -0.185 0.000 0.790 1463 L CB -0.290 41.649 42.059 -0.200 0.000 0.942 1463 L HN 0.477 nan 8.230 nan 0.000 0.452 1464 E N 0.694 120.848 120.200 -0.076 0.000 2.033 1464 E HA -0.181 4.169 4.350 -0.000 0.000 0.199 1464 E C 0.515 177.104 176.600 -0.017 0.000 1.011 1464 E CA 1.400 57.772 56.400 -0.046 0.000 0.815 1464 E CB -0.414 29.275 29.700 -0.018 0.000 0.755 1464 E HN 0.533 nan 8.360 nan 0.000 0.451 1465 E N 1.083 121.301 120.200 0.029 0.000 2.161 1465 E HA 0.175 4.525 4.350 -0.000 0.000 0.263 1465 E C -0.475 176.197 176.600 0.121 0.000 1.185 1465 E CA -0.085 56.367 56.400 0.088 0.000 0.938 1465 E CB 0.045 29.825 29.700 0.133 0.000 1.023 1465 E HN 0.155 nan 8.360 nan 0.000 0.433 1466 S N 1.641 117.392 115.700 0.085 0.000 2.643 1466 S HA 0.536 5.006 4.470 -0.000 0.000 0.270 1466 S C -1.217 173.409 174.600 0.043 0.000 1.166 1466 S CA -1.056 57.169 58.200 0.041 0.000 0.815 1466 S CB 1.912 65.082 63.200 -0.051 0.000 1.139 1466 S HN 0.474 nan 8.310 nan 0.000 0.472 1467 c N 1.568 120.164 118.600 -0.008 0.000 2.481 1467 c HA 0.847 5.417 4.570 -0.000 0.000 0.324 1467 c C -0.718 173.348 174.090 -0.040 0.000 1.170 1467 c CA 0.214 56.552 56.329 0.014 0.000 1.361 1467 c CB 0.570 43.128 42.510 0.080 0.000 1.977 1467 c HN 0.965 nan 8.230 nan 0.000 0.459 1468 T N 6.193 120.715 114.554 -0.054 0.000 2.841 1468 T HA 0.681 5.031 4.350 -0.000 0.000 0.283 1468 T C -0.664 173.917 174.700 -0.198 0.000 1.000 1468 T CA -0.608 61.399 62.100 -0.155 0.000 0.977 1468 T CB 1.127 69.876 68.868 -0.198 0.000 0.979 1468 T HN 0.661 nan 8.240 nan 0.000 0.446 1469 R N 1.476 121.808 120.500 -0.280 0.000 2.854 1469 R HA 0.657 4.997 4.340 -0.000 0.000 0.271 1469 R C -1.425 174.645 176.300 -0.384 0.000 0.994 1469 R CA -0.906 55.079 56.100 -0.192 0.000 0.945 1469 R CB 1.401 31.688 30.300 -0.020 0.000 1.194 1469 R HN 0.530 nan 8.270 nan 0.000 0.476 1470 F N 1.328 121.319 119.950 0.070 0.000 2.508 1470 F HA 0.451 4.978 4.527 -0.000 0.000 0.325 1470 F C -0.042 175.816 175.800 0.095 0.000 1.090 1470 F CA -0.958 57.065 58.000 0.038 0.000 0.945 1470 F CB 1.339 40.331 39.000 -0.013 0.000 1.156 1470 F HN 0.392 nan 8.300 nan 0.000 0.463 1471 Y N 0.464 120.868 120.300 0.174 0.000 2.446 1471 Y HA 0.761 5.311 4.550 -0.000 0.000 0.345 1471 Y C -1.201 174.774 175.900 0.125 0.000 0.984 1471 Y CA -0.991 57.166 58.100 0.095 0.000 1.058 1471 Y CB 1.528 39.984 38.460 -0.007 0.000 1.220 1471 Y HN 0.711 nan 8.280 nan 0.000 0.455 1472 H N 3.704 122.829 119.070 0.091 0.000 3.085 1472 H HA 0.269 4.825 4.556 -0.000 0.000 0.356 1472 H C -2.609 172.732 175.328 0.022 0.000 1.178 1472 H CA -1.926 54.119 56.048 -0.005 0.000 1.214 1472 H CB 3.015 32.756 29.762 -0.036 0.000 1.881 1472 H HN 0.495 nan 8.280 nan 0.000 0.538 1473 P HA -0.144 nan 4.420 nan 0.000 0.212 1473 P C 0.779 178.133 177.300 0.090 0.000 1.178 1473 P CA 1.649 64.672 63.100 -0.128 0.000 0.915 1473 P CB 0.626 32.173 31.700 -0.253 0.000 0.788 1474 E N -0.396 119.976 120.200 0.286 0.000 2.034 1474 E HA 0.016 4.366 4.350 -0.000 0.000 0.192 1474 E C 0.410 177.137 176.600 0.211 0.000 0.963 1474 E CA 0.260 56.808 56.400 0.247 0.000 0.831 1474 E CB -0.322 29.513 29.700 0.226 0.000 0.801 1474 E HN 0.192 nan 8.360 nan 0.000 0.463 1475 K N 2.594 123.076 120.400 0.137 0.000 2.473 1475 K HA -0.055 4.265 4.320 -0.000 0.000 0.277 1475 K C 0.063 176.683 176.600 0.034 0.000 1.052 1475 K CA 0.182 56.421 56.287 -0.081 0.000 1.114 1475 K CB 0.263 32.511 32.500 -0.420 0.000 0.869 1475 K HN 0.173 nan 8.250 nan 0.000 0.481 1476 E N 3.007 123.224 120.200 0.030 0.000 2.413 1476 E HA -0.108 4.242 4.350 -0.000 0.000 0.263 1476 E C -0.196 176.440 176.600 0.059 0.000 1.015 1476 E CA 0.241 56.672 56.400 0.052 0.000 0.916 1476 E CB 0.361 30.085 29.700 0.041 0.000 0.947 1476 E HN 0.676 nan 8.360 nan 0.000 0.440 1477 D N 2.239 122.690 120.400 0.086 0.000 2.913 1477 D HA -0.252 4.388 4.640 -0.000 0.000 0.228 1477 D C 0.608 176.993 176.300 0.142 0.000 1.180 1477 D CA 1.164 55.231 54.000 0.112 0.000 0.761 1477 D CB -1.845 39.011 40.800 0.094 0.000 1.085 1477 D HN 0.895 nan 8.370 nan 0.000 0.420 1478 G N -1.321 107.553 108.800 0.124 0.000 2.273 1478 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.280 1478 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.280 1478 G C 0.153 175.031 174.900 -0.037 0.000 1.047 1478 G CA 0.542 45.707 45.100 0.108 0.000 0.869 1478 G HN 0.671 nan 8.290 nan 0.000 0.502 1479 K N -0.813 119.542 120.400 -0.076 0.000 2.123 1479 K HA 0.785 5.105 4.320 -0.000 0.000 0.248 1479 K C 0.734 177.240 176.600 -0.156 0.000 0.969 1479 K CA -0.728 55.474 56.287 -0.141 0.000 0.882 1479 K CB 0.980 33.437 32.500 -0.071 0.000 1.080 1479 K HN 0.186 nan 8.250 nan 0.000 0.441 1480 L N 2.527 123.656 121.223 -0.157 0.000 2.334 1480 L HA 0.337 4.677 4.340 -0.000 0.000 0.277 1480 L C -0.177 176.660 176.870 -0.054 0.000 1.075 1480 L CA -0.949 53.818 54.840 -0.122 0.000 0.804 1480 L CB 0.907 42.895 42.059 -0.119 0.000 1.174 1480 L HN 0.523 nan 8.230 nan 0.000 0.438 1481 N N 3.768 122.451 118.700 -0.028 0.000 2.423 1481 N HA 0.051 4.791 4.740 -0.000 0.000 0.275 1481 N C -0.754 174.812 175.510 0.093 0.000 1.283 1481 N CA 0.285 53.371 53.050 0.060 0.000 0.932 1481 N CB 0.049 38.558 38.487 0.037 0.000 1.185 1481 N HN 0.447 nan 8.380 nan 0.000 0.483 1482 K N 0.398 120.851 120.400 0.088 0.000 2.507 1482 K HA 0.312 4.632 4.320 -0.000 0.000 0.252 1482 K C -0.828 175.722 176.600 -0.084 0.000 0.943 1482 K CA -0.996 55.307 56.287 0.027 0.000 0.808 1482 K CB 1.455 33.955 32.500 -0.001 0.000 1.142 1482 K HN 0.083 nan 8.250 nan 0.000 0.426 1483 L N 3.754 124.856 121.223 -0.200 0.000 2.704 1483 L HA 0.084 4.424 4.340 -0.000 0.000 0.279 1483 L C -0.979 175.734 176.870 -0.261 0.000 1.147 1483 L CA 0.210 54.721 54.840 -0.549 0.000 0.994 1483 L CB -0.477 41.109 42.059 -0.788 0.000 1.332 1483 L HN 0.762 nan 8.230 nan 0.000 0.471 1484 c N 5.006 123.516 118.600 -0.150 0.000 2.401 1484 c HA 0.663 5.233 4.570 -0.000 0.000 0.365 1484 c C 0.515 174.696 174.090 0.152 0.000 1.250 1484 c CA -0.720 55.638 56.329 0.048 0.000 2.131 1484 c CB 0.710 43.220 42.510 0.001 0.000 2.445 1484 c HN 0.863 nan 8.230 nan 0.000 0.550 1485 R N 2.291 122.927 120.500 0.226 0.000 2.605 1485 R HA 0.321 4.661 4.340 -0.000 0.000 0.291 1485 R C -0.349 175.971 176.300 0.033 0.000 1.226 1485 R CA -0.114 56.076 56.100 0.150 0.000 0.981 1485 R CB 0.290 30.722 30.300 0.220 0.000 1.215 1485 R HN 0.924 nan 8.270 nan 0.000 0.428 1486 D N 2.302 122.711 120.400 0.015 0.000 4.286 1486 D HA -0.287 4.353 4.640 -0.000 0.000 0.203 1486 D C 0.369 176.671 176.300 0.004 0.000 1.071 1486 D CA 2.296 56.293 54.000 -0.005 0.000 2.291 1486 D CB -0.364 40.413 40.800 -0.037 0.000 1.164 1486 D HN 0.732 nan 8.370 nan 0.000 0.407 1487 E N -0.901 119.299 120.200 0.000 0.000 2.722 1487 E HA 0.179 4.529 4.350 -0.000 0.000 0.179 1487 E C -0.945 175.665 176.600 0.016 0.000 0.918 1487 E CA -0.121 56.285 56.400 0.009 0.000 1.334 1487 E CB 0.617 30.317 29.700 0.000 0.000 1.064 1487 E HN 0.127 nan 8.360 nan 0.000 0.513 1488 L N 1.709 122.949 121.223 0.028 0.000 2.316 1488 L HA 0.531 4.871 4.340 -0.000 0.000 0.280 1488 L C -1.341 175.674 176.870 0.241 0.000 1.006 1488 L CA -0.387 54.493 54.840 0.066 0.000 0.836 1488 L CB 0.940 42.970 42.059 -0.048 0.000 1.221 1488 L HN 0.060 nan 8.230 nan 0.000 0.418 1489 c N 4.687 123.406 118.600 0.198 0.000 2.493 1489 c HA 0.838 5.408 4.570 -0.000 0.000 0.326 1489 c C -0.284 173.899 174.090 0.154 0.000 1.200 1489 c CA -0.810 55.634 56.329 0.190 0.000 1.739 1489 c CB 1.760 44.315 42.510 0.074 0.000 2.300 1489 c HN 0.899 nan 8.230 nan 0.000 0.500 1490 R N 1.303 121.836 120.500 0.055 0.000 2.561 1490 R HA 0.588 4.928 4.340 -0.000 0.000 0.297 1490 R C -0.934 175.362 176.300 -0.007 0.000 0.969 1490 R CA -0.300 55.815 56.100 0.025 0.000 0.879 1490 R CB 0.644 30.947 30.300 0.006 0.000 1.178 1490 R HN 0.707 nan 8.270 nan 0.000 0.445 1491 c N 3.145 121.762 118.600 0.030 0.000 2.638 1491 c HA 0.362 4.932 4.570 -0.000 0.000 0.410 1491 c C 1.000 175.116 174.090 0.044 0.000 1.404 1491 c CA 0.297 56.647 56.329 0.036 0.000 1.651 1491 c CB -0.932 41.607 42.510 0.049 0.000 2.495 1491 c HN 0.831 nan 8.230 nan 0.000 0.606 1492 A N 5.933 128.786 122.820 0.055 0.000 3.213 1492 A HA 0.369 4.689 4.320 -0.000 0.000 0.308 1492 A C 0.388 177.980 177.584 0.013 0.000 1.177 1492 A CA -0.008 52.062 52.037 0.055 0.000 1.010 1492 A CB -0.164 18.927 19.000 0.151 0.000 1.092 1492 A HN 0.877 nan 8.150 nan 0.000 0.583 1493 E N 1.756 121.966 120.200 0.016 0.000 2.989 1493 E HA 0.165 4.515 4.350 -0.000 0.000 0.224 1493 E C -0.144 176.462 176.600 0.010 0.000 1.175 1493 E CA 0.089 56.491 56.400 0.003 0.000 1.300 1493 E CB 0.205 29.910 29.700 0.009 0.000 1.422 1493 E HN 0.928 nan 8.360 nan 0.000 0.439 1494 E N -0.647 119.548 120.200 -0.009 0.000 2.433 1494 E HA 0.385 4.735 4.350 -0.000 0.000 0.264 1494 E C -0.281 176.292 176.600 -0.045 0.000 0.960 1494 E CA -0.953 55.440 56.400 -0.012 0.000 0.866 1494 E CB 0.486 30.188 29.700 0.003 0.000 1.615 1494 E HN -0.206 nan 8.360 nan 0.000 0.442 1495 N N -0.440 118.225 118.700 -0.057 0.000 2.260 1495 N HA 0.050 4.790 4.740 -0.000 0.000 0.230 1495 N C 0.668 176.100 175.510 -0.131 0.000 1.323 1495 N CA -0.150 52.833 53.050 -0.112 0.000 0.897 1495 N CB 0.077 38.486 38.487 -0.129 0.000 1.146 1495 N HN 0.528 nan 8.380 nan 0.000 0.460 1496 c N -0.834 117.622 118.600 -0.240 0.000 2.587 1496 c HA 0.177 4.747 4.570 -0.000 0.000 0.282 1496 c C 0.860 174.906 174.090 -0.073 0.000 1.277 1496 c CA 0.429 56.634 56.329 -0.207 0.000 1.702 1496 c CB -1.116 41.182 42.510 -0.353 0.000 2.113 1496 c HN 0.745 nan 8.230 nan 0.000 0.490 1497 F N -2.231 117.677 119.950 -0.070 0.000 2.824 1497 F HA 0.649 5.176 4.527 -0.000 0.000 0.330 1497 F C 0.727 176.496 175.800 -0.051 0.000 1.175 1497 F CA -1.319 56.639 58.000 -0.070 0.000 0.974 1497 F CB -0.303 38.618 39.000 -0.132 0.000 1.430 1497 F HN -0.108 nan 8.300 nan 0.000 0.507 1498 I N 0.228 120.950 120.570 0.253 0.000 2.082 1498 I HA -0.270 3.900 4.170 -0.000 0.000 0.221 1498 I C 1.414 177.589 176.117 0.096 0.000 1.010 1498 I CA 2.486 63.890 61.300 0.172 0.000 1.322 1498 I CB -0.514 37.638 38.000 0.254 0.000 1.044 1498 I HN 0.829 nan 8.210 nan 0.000 0.384 1499 Q N -0.000 119.878 119.800 0.131 0.000 3.024 1499 Q HA 0.538 4.878 4.340 -0.000 0.000 0.262 1499 Q C -0.735 175.312 176.000 0.078 0.000 1.077 1499 Q CA -0.898 54.938 55.803 0.054 0.000 0.549 1499 Q CB 1.362 30.142 28.738 0.069 0.000 4.587 1499 Q HN 0.178 nan 8.270 nan 0.000 0.284 1504 K N 0.312 120.740 120.400 0.045 0.000 2.529 1504 K HA 0.173 4.493 4.320 -0.000 0.000 0.215 1504 K C 0.106 176.746 176.600 0.066 0.000 1.286 1504 K CA 0.326 56.638 56.287 0.042 0.000 0.997 1504 K CB 2.427 34.945 32.500 0.030 0.000 1.063 1504 K HN -0.032 nan 8.250 nan 0.000 0.590 1505 V N 2.062 122.035 119.914 0.099 0.000 5.887 1505 V HA -0.260 3.860 4.120 -0.000 0.000 0.167 1505 V C 0.381 176.535 176.094 0.101 0.000 0.718 1505 V CA 0.780 63.169 62.300 0.148 0.000 0.553 1505 V CB -2.900 29.099 31.823 0.293 0.000 0.464 1505 V HN 0.466 nan 8.190 nan 0.000 0.392 1506 T N 1.056 115.650 114.554 0.067 0.000 2.773 1506 T HA 0.451 4.801 4.350 -0.000 0.000 0.337 1506 T C 1.169 175.895 174.700 0.043 0.000 1.086 1506 T CA 0.429 62.556 62.100 0.045 0.000 0.998 1506 T CB 1.199 70.088 68.868 0.033 0.000 1.281 1506 T HN 0.639 nan 8.240 nan 0.000 0.525 1507 L N 0.189 121.438 121.223 0.043 0.000 2.023 1507 L HA -0.013 4.327 4.340 -0.000 0.000 0.205 1507 L C 2.903 179.817 176.870 0.074 0.000 1.073 1507 L CA 1.585 56.466 54.840 0.069 0.000 0.745 1507 L CB -0.554 41.545 42.059 0.065 0.000 0.900 1507 L HN 0.701 nan 8.230 nan 0.000 0.435 1508 E N 0.017 120.241 120.200 0.040 0.000 2.209 1508 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 1508 E C 2.035 178.645 176.600 0.017 0.000 0.993 1508 E CA 0.948 57.361 56.400 0.022 0.000 0.819 1508 E CB -0.097 29.606 29.700 0.005 0.000 0.745 1508 E HN 0.448 nan 8.360 nan 0.000 0.477 1509 E N 0.453 120.667 120.200 0.024 0.000 2.047 1509 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 1509 E C 2.074 178.659 176.600 -0.025 0.000 0.987 1509 E CA 0.902 57.313 56.400 0.018 0.000 0.799 1509 E CB -0.211 29.520 29.700 0.052 0.000 0.752 1509 E HN 0.299 nan 8.360 nan 0.000 0.449 1510 R N 0.423 120.902 120.500 -0.035 0.000 2.115 1510 R HA -0.017 4.323 4.340 -0.000 0.000 0.230 1510 R C 2.658 178.959 176.300 0.002 0.000 1.111 1510 R CA 0.671 56.693 56.100 -0.130 0.000 0.976 1510 R CB -0.338 29.807 30.300 -0.258 0.000 0.870 1510 R HN 0.152 nan 8.270 nan 0.000 0.445 1511 L N 0.611 121.904 121.223 0.117 0.000 1.994 1511 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 1511 L C 1.766 178.582 176.870 -0.091 0.000 1.071 1511 L CA 1.343 56.216 54.840 0.055 0.000 0.745 1511 L CB -0.478 41.585 42.059 0.007 0.000 0.892 1511 L HN 0.115 nan 8.230 nan 0.000 0.431 1512 D N 0.049 120.397 120.400 -0.087 0.000 2.117 1512 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 1512 D C 2.221 178.420 176.300 -0.167 0.000 0.982 1512 D CA 1.105 55.042 54.000 -0.105 0.000 0.828 1512 D CB -0.061 40.703 40.800 -0.059 0.000 0.967 1512 D HN 0.209 nan 8.370 nan 0.000 0.464 1513 K N 0.301 120.582 120.400 -0.198 0.000 2.147 1513 K HA 0.017 4.337 4.320 -0.000 0.000 0.205 1513 K C 1.834 178.062 176.600 -0.621 0.000 1.049 1513 K CA 1.068 57.205 56.287 -0.249 0.000 0.936 1513 K CB 0.032 32.471 32.500 -0.102 0.000 0.722 1513 K HN 0.032 nan 8.250 nan 0.000 0.446 1514 A N -0.109 122.170 122.820 -0.901 0.000 2.218 1514 A HA -0.020 4.300 4.320 -0.000 0.000 0.209 1514 A C 1.646 178.878 177.584 -0.587 0.000 1.168 1514 A CA 0.464 51.765 52.037 -1.227 0.000 0.804 1514 A CB -0.094 18.259 19.000 -1.078 0.000 0.834 1514 A HN 0.333 nan 8.150 nan 0.000 0.482 1515 c N 0.475 118.853 118.600 -0.371 0.000 3.183 1515 c HA 0.226 4.796 4.570 -0.000 0.000 0.285 1515 c C 0.649 174.638 174.090 -0.169 0.000 1.313 1515 c CA -0.801 55.392 56.329 -0.226 0.000 1.711 1515 c CB -1.264 41.147 42.510 -0.165 0.000 2.135 1515 c HN 0.555 nan 8.230 nan 0.000 0.651 1516 E N 2.202 122.290 120.200 -0.187 0.000 2.437 1516 E HA -0.010 4.340 4.350 -0.000 0.000 0.263 1516 E C -1.492 175.058 176.600 -0.083 0.000 1.030 1516 E CA -0.622 55.712 56.400 -0.111 0.000 0.934 1516 E CB 0.459 30.104 29.700 -0.090 0.000 0.943 1516 E HN 0.186 nan 8.360 nan 0.000 0.444 1517 P HA -0.204 nan 4.420 nan 0.000 0.216 1517 P C 1.310 178.605 177.300 -0.009 0.000 1.153 1517 P CA 1.532 64.618 63.100 -0.023 0.000 0.858 1517 P CB 0.052 31.747 31.700 -0.008 0.000 0.789 1518 G N -0.273 108.526 108.800 -0.001 0.000 2.418 1518 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 1518 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 1518 G C 0.444 175.356 174.900 0.020 0.000 1.158 1518 G CA 0.242 45.358 45.100 0.025 0.000 0.771 1518 G HN 0.194 nan 8.290 nan 0.000 0.545 1519 V N 1.687 121.578 119.914 -0.038 0.000 2.557 1519 V HA 0.059 4.179 4.120 -0.000 0.000 0.301 1519 V C 1.194 177.253 176.094 -0.059 0.000 1.026 1519 V CA 0.839 63.084 62.300 -0.093 0.000 1.137 1519 V CB 1.331 32.986 31.823 -0.281 0.000 0.917 1519 V HN 0.401 nan 8.190 nan 0.000 0.484 1520 D N 3.421 123.810 120.400 -0.019 0.000 2.735 1520 D HA 0.068 4.708 4.640 -0.000 0.000 0.267 1520 D C 0.365 176.738 176.300 0.122 0.000 1.081 1520 D CA 0.587 54.659 54.000 0.119 0.000 0.980 1520 D CB 0.248 41.253 40.800 0.342 0.000 1.129 1520 D HN 0.574 nan 8.370 nan 0.000 0.459 1521 Y N -0.709 119.649 120.300 0.097 0.000 2.496 1521 Y HA 0.683 5.233 4.550 -0.000 0.000 0.331 1521 Y C -0.916 174.878 175.900 -0.177 0.000 1.140 1521 Y CA -1.372 56.667 58.100 -0.101 0.000 1.166 1521 Y CB 1.494 39.859 38.460 -0.158 0.000 1.249 1521 Y HN -0.240 nan 8.280 nan 0.000 0.479 1522 V N 3.629 123.410 119.914 -0.221 0.000 2.559 1522 V HA 0.303 4.423 4.120 -0.000 0.000 0.289 1522 V C -1.476 174.638 176.094 0.034 0.000 1.036 1522 V CA -0.831 61.475 62.300 0.010 0.000 0.887 1522 V CB 0.246 32.169 31.823 0.167 0.000 1.022 1522 V HN 0.744 nan 8.190 nan 0.000 0.442 1523 Y N 1.752 122.297 120.300 0.409 0.000 2.598 1523 Y HA 0.622 5.172 4.550 -0.000 0.000 0.340 1523 Y C 0.229 176.241 175.900 0.185 0.000 1.038 1523 Y CA -1.856 56.399 58.100 0.258 0.000 1.100 1523 Y CB 1.804 40.389 38.460 0.208 0.000 1.281 1523 Y HN 0.472 nan 8.280 nan 0.000 0.488 1524 K N 2.018 122.559 120.400 0.235 0.000 2.414 1524 K HA 0.412 4.732 4.320 -0.000 0.000 0.251 1524 K C -0.997 175.607 176.600 0.006 0.000 1.037 1524 K CA -0.293 55.997 56.287 0.005 0.000 0.980 1524 K CB 0.260 32.555 32.500 -0.341 0.000 1.280 1524 K HN 0.889 nan 8.250 nan 0.000 0.451 1525 T N 0.468 115.059 114.554 0.062 0.000 2.952 1525 T HA 0.446 4.796 4.350 -0.000 0.000 0.286 1525 T C -0.316 174.402 174.700 0.031 0.000 1.024 1525 T CA -1.013 61.104 62.100 0.029 0.000 1.029 1525 T CB 1.728 70.580 68.868 -0.027 0.000 1.094 1525 T HN 0.525 nan 8.240 nan 0.000 0.515 1526 R N 1.248 121.724 120.500 -0.041 0.000 2.409 1526 R HA 0.437 4.777 4.340 -0.000 0.000 0.313 1526 R C -1.061 175.179 176.300 -0.100 0.000 0.953 1526 R CA -0.998 54.987 56.100 -0.192 0.000 0.849 1526 R CB 0.997 31.078 30.300 -0.366 0.000 1.171 1526 R HN 0.605 nan 8.270 nan 0.000 0.458 1527 L N 6.713 127.917 121.223 -0.031 0.000 2.623 1527 L HA 0.042 4.382 4.340 -0.000 0.000 0.281 1527 L C 0.369 177.237 176.870 -0.003 0.000 1.150 1527 L CA 0.622 55.466 54.840 0.007 0.000 0.965 1527 L CB 0.711 42.814 42.059 0.073 0.000 1.303 1527 L HN 0.617 nan 8.230 nan 0.000 0.467 1528 V N 3.776 123.687 119.914 -0.004 0.000 2.255 1528 V HA -0.022 4.098 4.120 -0.000 0.000 0.243 1528 V C 1.119 177.220 176.094 0.012 0.000 1.038 1528 V CA 1.260 63.558 62.300 -0.004 0.000 1.008 1528 V CB -0.478 31.346 31.823 0.000 0.000 0.645 1528 V HN 0.786 nan 8.190 nan 0.000 0.449 1529 K N -0.353 120.061 120.400 0.024 0.000 2.426 1529 K HA 0.615 4.935 4.320 -0.000 0.000 0.251 1529 K C -1.903 174.703 176.600 0.010 0.000 0.941 1529 K CA -0.473 55.824 56.287 0.016 0.000 0.808 1529 K CB 2.546 35.053 32.500 0.012 0.000 1.265 1529 K HN 0.011 nan 8.250 nan 0.000 0.432 1530 V N 3.633 123.534 119.914 -0.023 0.000 2.487 1530 V HA 0.299 4.419 4.120 -0.000 0.000 0.298 1530 V C -0.925 175.096 176.094 -0.121 0.000 1.028 1530 V CA -0.720 61.516 62.300 -0.106 0.000 0.860 1530 V CB 1.583 33.349 31.823 -0.095 0.000 0.991 1530 V HN 0.779 nan 8.190 nan 0.000 0.427 1531 Q N 4.796 124.496 119.800 -0.166 0.000 2.644 1531 Q HA 0.474 4.814 4.340 -0.000 0.000 0.245 1531 Q C -0.997 174.914 176.000 -0.147 0.000 1.064 1531 Q CA -0.596 55.141 55.803 -0.111 0.000 0.860 1531 Q CB 1.402 30.105 28.738 -0.057 0.000 1.145 1531 Q HN 0.731 nan 8.270 nan 0.000 0.515 1532 L N -0.461 120.674 121.223 -0.146 0.000 2.309 1532 L HA 0.887 5.227 4.340 -0.000 0.000 0.282 1532 L C -0.206 176.632 176.870 -0.053 0.000 1.036 1532 L CA -0.397 54.366 54.840 -0.128 0.000 0.806 1532 L CB 1.715 43.690 42.059 -0.140 0.000 1.220 1532 L HN 0.306 nan 8.230 nan 0.000 0.429 1533 S N 0.552 116.238 115.700 -0.023 0.000 2.608 1533 S HA 0.475 4.945 4.470 -0.000 0.000 0.285 1533 S C -0.152 174.463 174.600 0.024 0.000 1.108 1533 S CA -0.547 57.654 58.200 0.000 0.000 0.858 1533 S CB 0.842 64.043 63.200 0.002 0.000 1.077 1533 S HN 0.860 nan 8.310 nan 0.000 0.450 1534 N N 1.657 120.372 118.700 0.024 0.000 2.468 1534 N HA -0.255 4.485 4.740 -0.000 0.000 0.161 1534 N C -0.438 175.102 175.510 0.051 0.000 0.341 1534 N CA 2.642 55.714 53.050 0.037 0.000 1.610 1534 N CB -1.542 36.972 38.487 0.044 0.000 1.308 1534 N HN 1.124 nan 8.380 nan 0.000 0.404 1535 D N 0.340 120.802 120.400 0.104 0.000 2.787 1535 D HA 0.536 5.176 4.640 -0.000 0.000 0.246 1535 D C -0.545 175.968 176.300 0.355 0.000 1.150 1535 D CA -0.471 53.633 54.000 0.174 0.000 0.864 1535 D CB 1.231 42.185 40.800 0.257 0.000 1.481 1535 D HN 0.368 nan 8.370 nan 0.000 0.509 1536 F N 0.072 120.015 119.950 -0.011 0.000 2.133 1536 F HA -0.143 4.384 4.527 -0.000 0.000 0.502 1536 F C -0.601 175.186 175.800 -0.022 0.000 1.268 1536 F CA 0.235 58.232 58.000 -0.006 0.000 1.610 1536 F CB -0.276 38.712 39.000 -0.020 0.000 2.584 1536 F HN 0.394 nan 8.300 nan 0.000 0.723 1537 D N 3.616 124.087 120.400 0.119 0.000 2.391 1537 D HA 0.306 4.946 4.640 -0.000 0.000 0.245 1537 D C -0.364 175.866 176.300 -0.118 0.000 1.069 1537 D CA -0.605 53.343 54.000 -0.086 0.000 0.831 1537 D CB 1.590 42.241 40.800 -0.249 0.000 1.204 1537 D HN 0.419 nan 8.370 nan 0.000 0.503 1538 E N 1.570 121.676 120.200 -0.156 0.000 2.223 1538 E HA 0.161 4.511 4.350 -0.000 0.000 0.282 1538 E C -0.706 175.759 176.600 -0.225 0.000 1.046 1538 E CA -0.189 56.173 56.400 -0.063 0.000 0.857 1538 E CB 0.750 30.448 29.700 -0.003 0.000 1.055 1538 E HN 0.319 nan 8.360 nan 0.000 0.409 1539 Y N 2.705 123.078 120.300 0.121 0.000 2.402 1539 Y HA 0.307 4.857 4.550 -0.000 0.000 0.332 1539 Y C 0.157 176.133 175.900 0.127 0.000 0.960 1539 Y CA -0.647 57.495 58.100 0.071 0.000 1.228 1539 Y CB 0.698 39.155 38.460 -0.005 0.000 1.120 1539 Y HN 0.378 nan 8.280 nan 0.000 0.491 1540 I N 5.564 126.245 120.570 0.184 0.000 2.291 1540 I HA 0.190 4.360 4.170 -0.000 0.000 0.292 1540 I C -0.370 175.811 176.117 0.107 0.000 1.064 1540 I CA -0.121 61.275 61.300 0.160 0.000 1.269 1540 I CB 0.197 38.252 38.000 0.092 0.000 1.418 1540 I HN 0.472 nan 8.210 nan 0.000 0.485 1541 M N 4.967 124.639 119.600 0.120 0.000 2.478 1541 M HA 0.571 5.051 4.480 -0.000 0.000 0.327 1541 M C -0.059 176.252 176.300 0.017 0.000 1.187 1541 M CA -0.608 54.693 55.300 0.002 0.000 1.022 1541 M CB 1.687 34.185 32.600 -0.170 0.000 1.629 1541 M HN 0.520 nan 8.290 nan 0.000 0.461 1542 A N 3.172 125.979 122.820 -0.022 0.000 2.285 1542 A HA 0.656 4.976 4.320 -0.000 0.000 0.310 1542 A C -0.249 177.310 177.584 -0.042 0.000 1.266 1542 A CA -0.656 51.366 52.037 -0.026 0.000 0.832 1542 A CB 0.189 19.176 19.000 -0.021 0.000 1.163 1542 A HN 0.856 nan 8.150 nan 0.000 0.499 1543 I N 3.159 123.680 120.570 -0.082 0.000 2.578 1543 I HA 0.012 4.182 4.170 -0.000 0.000 0.286 1543 I C 0.921 177.004 176.117 -0.057 0.000 1.126 1543 I CA -0.052 61.181 61.300 -0.111 0.000 1.380 1543 I CB 0.577 38.412 38.000 -0.275 0.000 1.408 1543 I HN 0.747 nan 8.210 nan 0.000 0.532 1544 E N 5.526 125.708 120.200 -0.031 0.000 2.122 1544 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 1544 E C 0.244 176.821 176.600 -0.038 0.000 0.977 1544 E CA 0.797 57.174 56.400 -0.039 0.000 0.820 1544 E CB 0.224 29.880 29.700 -0.074 0.000 0.770 1544 E HN 0.783 nan 8.360 nan 0.000 0.462 1545 Q N -0.546 119.248 119.800 -0.010 0.000 2.352 1545 Q HA 0.287 4.627 4.340 -0.000 0.000 0.270 1545 Q C -1.070 175.016 176.000 0.144 0.000 1.006 1545 Q CA -0.583 55.240 55.803 0.034 0.000 0.880 1545 Q CB 0.980 29.719 28.738 0.002 0.000 1.392 1545 Q HN -0.113 nan 8.270 nan 0.000 0.401 1546 T N 0.889 115.548 114.554 0.176 0.000 2.992 1546 T HA 0.341 4.691 4.350 -0.000 0.000 0.299 1546 T C 1.071 175.913 174.700 0.238 0.000 1.027 1546 T CA -0.504 61.793 62.100 0.329 0.000 1.001 1546 T CB -0.325 68.724 68.868 0.302 0.000 1.005 1546 T HN 0.660 nan 8.240 nan 0.000 0.599 1547 I N 0.901 121.617 120.570 0.242 0.000 2.163 1547 I HA -0.047 4.123 4.170 -0.000 0.000 0.243 1547 I C 1.603 177.785 176.117 0.109 0.000 1.085 1547 I CA 1.230 62.627 61.300 0.162 0.000 1.347 1547 I CB -0.002 38.129 38.000 0.218 0.000 1.044 1547 I HN 0.502 nan 8.210 nan 0.000 0.408 1548 K N 1.337 121.811 120.400 0.122 0.000 2.604 1548 K HA 0.263 4.583 4.320 -0.000 0.000 0.247 1548 K C -0.817 175.868 176.600 0.142 0.000 0.956 1548 K CA -0.294 56.042 56.287 0.082 0.000 0.896 1548 K CB 1.365 33.876 32.500 0.018 0.000 1.131 1548 K HN -0.092 nan 8.250 nan 0.000 0.440 1549 S N 2.083 117.881 115.700 0.164 0.000 2.546 1549 S HA 0.079 4.549 4.470 -0.000 0.000 0.290 1549 S C 0.632 175.357 174.600 0.207 0.000 1.262 1549 S CA -0.125 58.206 58.200 0.219 0.000 1.083 1549 S CB 0.862 64.157 63.200 0.158 0.000 0.859 1549 S HN 0.746 nan 8.310 nan 0.000 0.495 1550 G N 1.844 110.827 108.800 0.304 0.000 2.582 1550 G HA2 0.303 4.263 3.960 -0.000 0.000 0.232 1550 G HA3 0.303 4.263 3.960 -0.000 0.000 0.232 1550 G C 0.871 175.909 174.900 0.230 0.000 1.458 1550 G CA -0.144 45.140 45.100 0.306 0.000 1.062 1550 G HN 0.716 nan 8.290 nan 0.000 0.566 1551 S N -1.287 114.537 115.700 0.206 0.000 2.631 1551 S HA 0.098 4.568 4.470 -0.000 0.000 0.217 1551 S C 0.121 174.712 174.600 -0.015 0.000 0.958 1551 S CA 0.327 58.554 58.200 0.045 0.000 0.920 1551 S CB 0.139 63.305 63.200 -0.057 0.000 0.776 1551 S HN 0.414 nan 8.310 nan 0.000 0.517 1552 D N 2.353 122.831 120.400 0.131 0.000 2.414 1552 D HA 0.181 4.821 4.640 -0.000 0.000 0.232 1552 D C -0.613 175.785 176.300 0.163 0.000 1.070 1552 D CA -0.350 53.725 54.000 0.125 0.000 0.839 1552 D CB 0.835 41.810 40.800 0.292 0.000 1.079 1552 D HN -0.011 nan 8.370 nan 0.000 0.521 1553 E N 2.682 122.932 120.200 0.084 0.000 1.833 1553 E HA 0.106 4.456 4.350 -0.000 0.000 0.258 1553 E C -0.509 176.135 176.600 0.072 0.000 1.257 1553 E CA -0.003 56.443 56.400 0.076 0.000 1.003 1553 E CB 0.734 30.457 29.700 0.038 0.000 1.068 1553 E HN 0.179 nan 8.360 nan 0.000 0.422 1554 V N 3.345 123.312 119.914 0.089 0.000 2.588 1554 V HA 0.247 4.367 4.120 -0.000 0.000 0.304 1554 V C -0.884 175.218 176.094 0.013 0.000 1.042 1554 V CA -0.689 61.631 62.300 0.033 0.000 0.877 1554 V CB 2.099 33.915 31.823 -0.013 0.000 0.996 1554 V HN 0.417 nan 8.190 nan 0.000 0.425 1555 Q N 3.356 123.155 119.800 -0.003 0.000 2.204 1555 Q HA 0.623 4.963 4.340 -0.000 0.000 0.254 1555 Q C -0.552 175.433 176.000 -0.026 0.000 0.981 1555 Q CA -0.518 55.284 55.803 -0.002 0.000 0.897 1555 Q CB 1.935 30.676 28.738 0.006 0.000 1.273 1555 Q HN 0.654 nan 8.270 nan 0.000 0.464 1556 V N 1.350 121.254 119.914 -0.016 0.000 2.694 1556 V HA 0.282 4.402 4.120 -0.000 0.000 0.306 1556 V C 1.331 177.412 176.094 -0.023 0.000 1.054 1556 V CA 1.909 64.194 62.300 -0.025 0.000 1.161 1556 V CB 0.178 31.994 31.823 -0.012 0.000 0.916 1556 V HN 1.009 nan 8.190 nan 0.000 0.490 1557 G N 3.176 111.959 108.800 -0.028 0.000 2.259 1557 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 1557 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 1557 G C 0.191 175.080 174.900 -0.019 0.000 1.001 1557 G CA 0.101 45.190 45.100 -0.018 0.000 0.627 1557 G HN 0.635 nan 8.290 nan 0.000 0.501 1558 Q N 0.299 120.082 119.800 -0.029 0.000 2.396 1558 Q HA 0.617 4.957 4.340 -0.000 0.000 0.221 1558 Q C 0.062 176.047 176.000 -0.026 0.000 1.025 1558 Q CA 0.115 55.905 55.803 -0.023 0.000 0.946 1558 Q CB 0.509 29.233 28.738 -0.024 0.000 1.224 1558 Q HN 0.530 nan 8.270 nan 0.000 0.539 1559 Q N 0.588 120.385 119.800 -0.004 0.000 2.365 1559 Q HA 0.512 4.852 4.340 -0.000 0.000 0.269 1559 Q C -0.938 175.085 176.000 0.039 0.000 1.061 1559 Q CA -0.840 54.972 55.803 0.015 0.000 0.816 1559 Q CB 1.956 30.711 28.738 0.029 0.000 1.325 1559 Q HN 0.194 nan 8.270 nan 0.000 0.446 1560 R N 1.045 121.589 120.500 0.073 0.000 2.621 1560 R HA 0.478 4.818 4.340 -0.000 0.000 0.292 1560 R C -0.972 175.454 176.300 0.211 0.000 0.969 1560 R CA -0.586 55.574 56.100 0.099 0.000 0.887 1560 R CB 2.171 32.452 30.300 -0.030 0.000 1.180 1560 R HN 0.578 nan 8.270 nan 0.000 0.450 1561 T N 3.623 118.275 114.554 0.162 0.000 2.806 1561 T HA 0.492 4.842 4.350 -0.000 0.000 0.290 1561 T C -0.282 174.534 174.700 0.194 0.000 0.966 1561 T CA 0.001 62.239 62.100 0.230 0.000 1.060 1561 T CB 0.262 69.227 68.868 0.161 0.000 0.927 1561 T HN 0.152 nan 8.240 nan 0.000 0.485 1562 F N 2.163 122.220 119.950 0.179 0.000 2.492 1562 F HA 0.650 5.177 4.527 -0.000 0.000 0.327 1562 F C 0.306 176.258 175.800 0.253 0.000 1.079 1562 F CA -1.415 56.713 58.000 0.214 0.000 0.967 1562 F CB 1.159 40.251 39.000 0.154 0.000 1.169 1562 F HN 0.319 nan 8.300 nan 0.000 0.472 1563 I N 1.516 122.309 120.570 0.372 0.000 2.498 1563 I HA 0.509 4.679 4.170 -0.000 0.000 0.290 1563 I C -0.657 175.642 176.117 0.304 0.000 1.032 1563 I CA -0.520 60.969 61.300 0.314 0.000 1.073 1563 I CB 2.133 40.252 38.000 0.197 0.000 1.251 1563 I HN 0.479 nan 8.210 nan 0.000 0.426 1564 S N 6.472 122.355 115.700 0.305 0.000 2.543 1564 S HA 0.579 5.049 4.470 -0.000 0.000 0.271 1564 S C -2.821 171.748 174.600 -0.051 0.000 1.148 1564 S CA -1.165 57.128 58.200 0.155 0.000 0.914 1564 S CB 2.104 65.415 63.200 0.184 0.000 1.096 1564 S HN 0.179 nan 8.310 nan 0.000 0.471 1565 P HA 0.160 nan 4.420 nan 0.000 0.269 1565 P C 0.979 178.105 177.300 -0.290 0.000 1.217 1565 P CA -0.424 62.271 63.100 -0.675 0.000 0.783 1565 P CB 0.332 31.684 31.700 -0.581 0.000 0.898 1566 I N 1.729 122.139 120.570 -0.267 0.000 2.315 1566 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 1566 I C 2.040 178.108 176.117 -0.081 0.000 1.117 1566 I CA 1.755 62.988 61.300 -0.111 0.000 1.404 1566 I CB -1.177 36.775 38.000 -0.080 0.000 1.071 1566 I HN 0.530 nan 8.210 nan 0.000 0.419 1567 K N 0.499 120.832 120.400 -0.113 0.000 2.281 1567 K HA -0.153 4.167 4.320 -0.000 0.000 0.203 1567 K C 1.812 178.373 176.600 -0.066 0.000 1.046 1567 K CA 1.598 57.836 56.287 -0.081 0.000 0.938 1567 K CB -0.530 31.914 32.500 -0.094 0.000 0.737 1567 K HN 0.286 nan 8.250 nan 0.000 0.458 1568 c N 0.559 119.122 118.600 -0.061 0.000 2.926 1568 c HA 0.262 4.832 4.570 -0.000 0.000 0.272 1568 c C 2.415 176.529 174.090 0.041 0.000 1.249 1568 c CA -0.612 55.705 56.329 -0.020 0.000 1.691 1568 c CB -0.757 41.746 42.510 -0.012 0.000 1.983 1568 c HN 0.545 nan 8.230 nan 0.000 0.615 1569 R N 2.067 122.589 120.500 0.036 0.000 2.105 1569 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 1569 R C 2.073 178.407 176.300 0.056 0.000 1.135 1569 R CA 1.760 57.908 56.100 0.079 0.000 0.967 1569 R CB -0.256 30.089 30.300 0.075 0.000 0.861 1569 R HN 0.660 nan 8.270 nan 0.000 0.442 1570 E N -0.461 119.757 120.200 0.031 0.000 2.150 1570 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 1570 E C 1.597 178.216 176.600 0.032 0.000 0.985 1570 E CA 1.094 57.507 56.400 0.022 0.000 0.814 1570 E CB -0.031 29.672 29.700 0.005 0.000 0.752 1570 E HN 0.501 nan 8.360 nan 0.000 0.466 1571 A N 0.559 123.414 122.820 0.058 0.000 1.970 1571 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 1571 A C 2.078 179.743 177.584 0.135 0.000 1.170 1571 A CA 0.463 52.574 52.037 0.124 0.000 0.645 1571 A CB -0.275 18.818 19.000 0.156 0.000 0.816 1571 A HN 0.255 nan 8.150 nan 0.000 0.447 1572 L N -0.875 120.388 121.223 0.068 0.000 2.072 1572 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 1572 L C 1.265 178.062 176.870 -0.120 0.000 1.079 1572 L CA 1.231 55.996 54.840 -0.124 0.000 0.752 1572 L CB -0.443 41.489 42.059 -0.212 0.000 0.906 1572 L HN 0.567 nan 8.230 nan 0.000 0.436 1573 K N 0.223 120.604 120.400 -0.032 0.000 3.010 1573 K HA -0.224 4.096 4.320 -0.000 0.000 0.255 1573 K C -0.480 176.120 176.600 0.000 0.000 0.929 1573 K CA 0.988 57.274 56.287 -0.003 0.000 0.687 1573 K CB -2.848 29.651 32.500 -0.001 0.000 1.304 1573 K HN 0.275 nan 8.250 nan 0.000 0.479 1574 L N 0.893 122.085 121.223 -0.052 0.000 2.453 1574 L HA 0.149 4.489 4.340 -0.000 0.000 0.272 1574 L C 0.688 177.616 176.870 0.096 0.000 1.182 1574 L CA 0.339 55.139 54.840 -0.066 0.000 0.858 1574 L CB 0.366 42.219 42.059 -0.342 0.000 1.120 1574 L HN 0.307 nan 8.230 nan 0.000 0.474 1575 E N 2.652 122.967 120.200 0.191 0.000 2.199 1575 E HA 0.302 4.652 4.350 -0.000 0.000 0.269 1575 E C -0.870 175.825 176.600 0.158 0.000 0.899 1575 E CA -0.798 55.692 56.400 0.149 0.000 0.772 1575 E CB 1.950 31.722 29.700 0.119 0.000 1.155 1575 E HN 0.506 nan 8.360 nan 0.000 0.408 1576 E N 1.646 121.905 120.200 0.097 0.000 2.442 1576 E HA -0.063 4.287 4.350 -0.000 0.000 0.260 1576 E C -0.039 176.581 176.600 0.034 0.000 1.148 1576 E CA 0.296 56.735 56.400 0.065 0.000 0.976 1576 E CB 0.384 30.107 29.700 0.038 0.000 0.967 1576 E HN 0.478 nan 8.360 nan 0.000 0.454 1577 K N -0.672 119.716 120.400 -0.019 0.000 3.572 1577 K HA -0.239 4.081 4.320 -0.000 0.000 0.306 1577 K C -0.377 176.128 176.600 -0.159 0.000 1.286 1577 K CA 1.265 57.504 56.287 -0.080 0.000 1.010 1577 K CB -0.918 31.565 32.500 -0.028 0.000 1.268 1577 K HN 0.381 nan 8.250 nan 0.000 0.438 1578 K N 1.158 121.501 120.400 -0.095 0.000 2.118 1578 K HA 0.277 4.597 4.320 -0.000 0.000 0.267 1578 K C -0.064 176.316 176.600 -0.366 0.000 0.991 1578 K CA -0.608 55.577 56.287 -0.170 0.000 0.916 1578 K CB 0.799 33.269 32.500 -0.049 0.000 1.041 1578 K HN 0.095 nan 8.250 nan 0.000 0.455 1579 H N 1.535 120.386 119.070 -0.365 0.000 2.472 1579 H HA 0.275 4.831 4.556 -0.000 0.000 0.335 1579 H C -0.876 174.117 175.328 -0.557 0.000 1.136 1579 H CA -0.171 55.687 56.048 -0.318 0.000 1.264 1579 H CB 0.922 30.512 29.762 -0.287 0.000 1.486 1579 H HN 0.460 nan 8.280 nan 0.000 0.517 1580 Y N 0.706 121.028 120.300 0.036 0.000 2.504 1580 Y HA 0.148 4.698 4.550 -0.000 0.000 0.344 1580 Y C -0.506 175.464 175.900 0.116 0.000 1.023 1580 Y CA -0.979 57.146 58.100 0.041 0.000 1.020 1580 Y CB 1.819 40.225 38.460 -0.091 0.000 1.282 1580 Y HN 0.372 nan 8.280 nan 0.000 0.454 1581 L N 6.030 127.485 121.223 0.387 0.000 2.255 1581 L HA 0.629 4.969 4.340 -0.000 0.000 0.289 1581 L C -0.738 176.282 176.870 0.249 0.000 1.046 1581 L CA -0.519 54.560 54.840 0.399 0.000 0.816 1581 L CB -0.020 42.382 42.059 0.570 0.000 1.197 1581 L HN 0.649 nan 8.230 nan 0.000 0.427 1582 M N 4.098 123.834 119.600 0.225 0.000 2.457 1582 M HA 0.730 5.210 4.480 -0.000 0.000 0.300 1582 M C -1.726 174.722 176.300 0.245 0.000 1.141 1582 M CA -0.640 54.738 55.300 0.129 0.000 0.901 1582 M CB 1.900 34.530 32.600 0.051 0.000 1.687 1582 M HN 0.609 nan 8.290 nan 0.000 0.449 1583 W N 1.099 122.476 121.300 0.129 0.000 3.032 1583 W HA 0.964 5.624 4.660 -0.000 0.000 0.335 1583 W C -1.240 175.075 176.519 -0.340 0.000 1.154 1583 W CA -0.934 56.267 57.345 -0.239 0.000 1.204 1583 W CB 0.844 30.176 29.460 -0.214 0.000 1.416 1583 W HN 0.974 nan 8.180 nan 0.000 0.521 1584 G N 1.647 110.022 108.800 -0.709 0.000 2.798 1584 G HA2 0.726 4.686 3.960 -0.000 0.000 0.286 1584 G HA3 0.726 4.686 3.960 -0.000 0.000 0.286 1584 G C -1.639 173.152 174.900 -0.181 0.000 1.389 1584 G CA -1.372 43.580 45.100 -0.246 0.000 0.894 1584 G HN 0.717 nan 8.290 nan 0.000 0.488 1585 L N 0.452 121.714 121.223 0.064 0.000 2.421 1585 L HA 0.270 4.610 4.340 -0.000 0.000 0.263 1585 L C 1.886 178.871 176.870 0.192 0.000 1.122 1585 L CA -0.471 54.434 54.840 0.109 0.000 0.804 1585 L CB 1.762 43.893 42.059 0.121 0.000 1.150 1585 L HN 0.714 nan 8.230 nan 0.000 0.457 1586 S N -1.598 114.258 115.700 0.259 0.000 2.555 1586 S HA -0.099 4.371 4.470 -0.000 0.000 0.230 1586 S C 1.317 176.166 174.600 0.415 0.000 0.978 1586 S CA 0.550 59.020 58.200 0.450 0.000 0.934 1586 S CB -0.298 63.092 63.200 0.317 0.000 0.766 1586 S HN 0.756 nan 8.310 nan 0.000 0.533 1587 S N 0.125 115.976 115.700 0.251 0.000 2.605 1587 S HA 0.236 4.706 4.470 -0.000 0.000 0.217 1587 S C 0.155 174.871 174.600 0.194 0.000 0.958 1587 S CA -0.330 57.997 58.200 0.211 0.000 0.919 1587 S CB -0.032 63.258 63.200 0.149 0.000 0.780 1587 S HN 0.295 nan 8.310 nan 0.000 0.507 1588 D N 0.654 121.146 120.400 0.154 0.000 2.402 1588 D HA 0.366 5.006 4.640 -0.000 0.000 0.216 1588 D C -0.517 175.761 176.300 -0.037 0.000 1.128 1588 D CA -0.301 53.741 54.000 0.070 0.000 0.833 1588 D CB -0.012 40.831 40.800 0.072 0.000 0.971 1588 D HN 0.337 nan 8.370 nan 0.000 0.503 1589 F N 0.249 120.246 119.950 0.078 0.000 2.378 1589 F HA 0.343 4.870 4.527 -0.000 0.000 0.319 1589 F C 0.476 176.393 175.800 0.196 0.000 1.155 1589 F CA -0.336 57.663 58.000 -0.002 0.000 1.157 1589 F CB 0.998 39.948 39.000 -0.083 0.000 1.252 1589 F HN -0.110 nan 8.300 nan 0.000 0.550 1590 W N 2.193 123.548 121.300 0.092 0.000 3.268 1590 W HA 0.445 5.105 4.660 -0.000 0.000 0.330 1590 W C -0.599 175.933 176.519 0.021 0.000 1.074 1590 W CA -0.443 56.926 57.345 0.040 0.000 1.263 1590 W CB 1.521 30.991 29.460 0.017 0.000 1.250 1590 W HN 0.850 nan 8.180 nan 0.000 0.425 1591 G N 3.306 111.808 108.800 -0.496 0.000 2.612 1591 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 1591 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 1591 G C -1.131 173.630 174.900 -0.231 0.000 1.274 1591 G CA -1.042 43.795 45.100 -0.439 0.000 0.849 1591 G HN 0.354 nan 8.290 nan 0.000 0.595 1592 E N 0.805 120.885 120.200 -0.198 0.000 2.301 1592 E HA 0.312 4.662 4.350 -0.000 0.000 0.275 1592 E C 0.716 177.256 176.600 -0.101 0.000 1.030 1592 E CA -0.344 55.972 56.400 -0.140 0.000 0.852 1592 E CB 1.163 30.787 29.700 -0.126 0.000 1.060 1592 E HN 0.528 nan 8.360 nan 0.000 0.401 1593 K N 2.413 122.757 120.400 -0.093 0.000 2.319 1593 K HA 0.117 4.437 4.320 -0.000 0.000 0.265 1593 K C -1.727 174.841 176.600 -0.054 0.000 1.000 1593 K CA -1.162 55.083 56.287 -0.071 0.000 0.943 1593 K CB 0.022 32.472 32.500 -0.083 0.000 0.950 1593 K HN 0.160 nan 8.250 nan 0.000 0.485 1594 P HA 0.127 nan 4.420 nan 0.000 0.244 1594 P C -0.978 176.316 177.300 -0.010 0.000 1.632 1594 P CA 0.074 63.160 63.100 -0.023 0.000 0.944 1594 P CB 0.098 31.790 31.700 -0.012 0.000 1.569 1595 N N 0.218 118.905 118.700 -0.022 0.000 2.546 1595 N HA 0.146 4.886 4.740 -0.000 0.000 0.286 1595 N C 0.073 175.582 175.510 -0.002 0.000 1.259 1595 N CA -0.140 52.905 53.050 -0.009 0.000 0.939 1595 N CB -0.078 38.394 38.487 -0.024 0.000 1.243 1595 N HN 0.208 nan 8.380 nan 0.000 0.511 1596 L N 0.218 121.450 121.223 0.014 0.000 2.482 1596 L HA 0.168 4.508 4.340 -0.000 0.000 0.273 1596 L C 0.306 177.222 176.870 0.076 0.000 1.228 1596 L CA 0.378 55.240 54.840 0.037 0.000 0.827 1596 L CB 0.461 42.551 42.059 0.050 0.000 1.099 1596 L HN 0.053 nan 8.230 nan 0.000 0.494 1597 S N 0.537 116.291 115.700 0.091 0.000 2.776 1597 S HA 0.386 4.856 4.470 -0.000 0.000 0.284 1597 S C -1.000 173.606 174.600 0.010 0.000 1.160 1597 S CA -0.677 57.593 58.200 0.115 0.000 1.051 1597 S CB 0.741 64.084 63.200 0.238 0.000 1.037 1597 S HN 0.208 nan 8.310 nan 0.000 0.485 1598 Y N 2.535 122.604 120.300 -0.385 0.000 2.511 1598 Y HA 0.239 4.789 4.550 -0.000 0.000 0.332 1598 Y C 0.639 176.402 175.900 -0.227 0.000 1.177 1598 Y CA -0.418 57.350 58.100 -0.553 0.000 1.422 1598 Y CB 0.303 37.992 38.460 -1.285 0.000 1.271 1598 Y HN 0.416 nan 8.280 nan 0.000 0.550 1599 I N 5.116 125.713 120.570 0.045 0.000 2.362 1599 I HA 0.210 4.380 4.170 -0.000 0.000 0.289 1599 I C -0.107 176.122 176.117 0.188 0.000 0.994 1599 I CA -0.929 60.438 61.300 0.111 0.000 1.158 1599 I CB 1.198 39.222 38.000 0.039 0.000 1.315 1599 I HN 0.541 nan 8.210 nan 0.000 0.451 1600 I N 6.261 126.966 120.570 0.225 0.000 2.278 1600 I HA 0.180 4.350 4.170 -0.000 0.000 0.300 1600 I C 1.125 177.328 176.117 0.143 0.000 1.174 1600 I CA 0.075 61.496 61.300 0.203 0.000 1.347 1600 I CB 0.035 38.126 38.000 0.151 0.000 1.473 1600 I HN 0.644 nan 8.210 nan 0.000 0.595 1601 G N 4.598 113.480 108.800 0.137 0.000 2.568 1601 G HA2 0.240 4.200 3.960 -0.000 0.000 0.293 1601 G HA3 0.240 4.200 3.960 -0.000 0.000 0.293 1601 G C 0.818 175.782 174.900 0.107 0.000 1.347 1601 G CA -0.646 44.514 45.100 0.100 0.000 1.039 1601 G HN 0.723 nan 8.290 nan 0.000 0.523 1602 K N -1.235 119.204 120.400 0.065 0.000 2.574 1602 K HA 0.027 4.347 4.320 -0.000 0.000 0.193 1602 K C -0.202 176.453 176.600 0.092 0.000 1.035 1602 K CA 1.182 57.495 56.287 0.043 0.000 0.982 1602 K CB 0.248 32.748 32.500 -0.000 0.000 0.795 1602 K HN 0.165 nan 8.250 nan 0.000 0.491 1603 D N 0.982 121.456 120.400 0.124 0.000 2.538 1603 D HA 0.073 4.713 4.640 -0.000 0.000 0.231 1603 D C -0.788 175.630 176.300 0.196 0.000 1.229 1603 D CA 0.011 54.105 54.000 0.158 0.000 0.828 1603 D CB 1.133 42.014 40.800 0.135 0.000 1.035 1603 D HN 0.029 nan 8.370 nan 0.000 0.495 1604 T N 0.908 115.570 114.554 0.180 0.000 2.758 1604 T HA 0.126 4.476 4.350 -0.000 0.000 0.285 1604 T C -0.521 174.203 174.700 0.040 0.000 0.981 1604 T CA -0.671 61.516 62.100 0.144 0.000 0.965 1604 T CB 1.462 70.424 68.868 0.156 0.000 0.927 1604 T HN 0.110 nan 8.240 nan 0.000 0.448 1605 W N 5.382 126.456 121.300 -0.376 0.000 2.322 1605 W HA 0.555 5.215 4.660 -0.000 0.000 0.307 1605 W C -1.725 174.406 176.519 -0.646 0.000 1.220 1605 W CA -0.667 56.264 57.345 -0.690 0.000 1.210 1605 W CB 0.537 29.029 29.460 -1.612 0.000 1.223 1605 W HN 0.293 nan 8.180 nan 0.000 0.511 1606 V N 6.005 125.394 119.914 -0.874 0.000 2.638 1606 V HA 0.338 4.458 4.120 -0.000 0.000 0.306 1606 V C -0.704 174.971 176.094 -0.699 0.000 1.052 1606 V CA -0.844 61.073 62.300 -0.638 0.000 0.885 1606 V CB 1.905 33.343 31.823 -0.642 0.000 0.999 1606 V HN 0.541 nan 8.190 nan 0.000 0.424 1607 E N 2.244 122.288 120.200 -0.260 0.000 2.290 1607 E HA 0.390 4.740 4.350 -0.000 0.000 0.274 1607 E C -1.225 175.459 176.600 0.140 0.000 0.889 1607 E CA -0.833 55.497 56.400 -0.117 0.000 0.760 1607 E CB 1.720 31.414 29.700 -0.010 0.000 1.206 1607 E HN 0.892 nan 8.360 nan 0.000 0.419 1608 H N 3.976 123.061 119.070 0.024 0.000 2.964 1608 H HA 0.017 4.573 4.556 -0.000 0.000 0.328 1608 H C -1.161 174.135 175.328 -0.053 0.000 1.030 1608 H CA 0.252 56.241 56.048 -0.098 0.000 1.445 1608 H CB 0.535 30.230 29.762 -0.112 0.000 1.449 1608 H HN 0.366 nan 8.280 nan 0.000 0.581 1609 W N 9.159 129.978 121.300 -0.802 0.000 2.298 1609 W HA 0.282 4.942 4.660 -0.000 0.000 0.327 1609 W C -2.775 173.397 176.519 -0.578 0.000 0.988 1609 W CA -3.044 54.016 57.345 -0.475 0.000 1.448 1609 W CB 0.657 29.959 29.460 -0.265 0.000 1.243 1609 W HN 0.637 nan 8.180 nan 0.000 0.388 1610 P HA -0.096 nan 4.420 nan 0.000 0.260 1610 P C 0.195 177.563 177.300 0.113 0.000 1.185 1610 P CA 0.922 64.026 63.100 0.008 0.000 0.763 1610 P CB 0.534 32.242 31.700 0.013 0.000 0.776 1611 E N 2.138 122.403 120.200 0.109 0.000 2.435 1611 E HA -0.109 4.241 4.350 -0.000 0.000 0.256 1611 E C 1.320 177.967 176.600 0.078 0.000 1.245 1611 E CA -0.262 56.194 56.400 0.093 0.000 0.989 1611 E CB 0.492 30.242 29.700 0.084 0.000 0.983 1611 E HN 0.350 nan 8.360 nan 0.000 0.480 1612 E N 1.175 121.403 120.200 0.048 0.000 2.026 1612 E HA -0.285 4.065 4.350 -0.000 0.000 0.206 1612 E C 1.278 177.901 176.600 0.039 0.000 1.028 1612 E CA 2.568 58.995 56.400 0.044 0.000 0.845 1612 E CB -0.377 29.336 29.700 0.022 0.000 0.772 1612 E HN 0.659 nan 8.360 nan 0.000 0.462 1613 D N -0.130 120.290 120.400 0.033 0.000 2.351 1613 D HA -0.174 4.466 4.640 -0.000 0.000 0.216 1613 D C 1.150 177.469 176.300 0.031 0.000 0.968 1613 D CA 1.136 55.153 54.000 0.029 0.000 0.899 1613 D CB -0.432 40.384 40.800 0.027 0.000 0.907 1613 D HN 0.520 nan 8.370 nan 0.000 0.514 1614 E N -0.865 119.359 120.200 0.040 0.000 2.447 1614 E HA 0.080 4.430 4.350 -0.000 0.000 0.195 1614 E C 0.966 177.584 176.600 0.029 0.000 1.028 1614 E CA -0.015 56.409 56.400 0.040 0.000 0.876 1614 E CB 0.124 29.863 29.700 0.064 0.000 0.885 1614 E HN 0.278 nan 8.360 nan 0.000 0.500 1615 c N 1.714 120.330 118.600 0.026 0.000 2.576 1615 c HA 0.063 4.633 4.570 -0.000 0.000 0.267 1615 c C 1.717 175.812 174.090 0.008 0.000 1.364 1615 c CA 0.015 56.350 56.329 0.010 0.000 1.723 1615 c CB -0.602 41.916 42.510 0.014 0.000 1.778 1615 c HN 0.361 nan 8.230 nan 0.000 0.572 1616 Q N 0.290 120.097 119.800 0.012 0.000 2.360 1616 Q HA 0.133 4.473 4.340 -0.000 0.000 0.202 1616 Q C -0.089 175.914 176.000 0.005 0.000 0.915 1616 Q CA 0.492 56.300 55.803 0.009 0.000 0.943 1616 Q CB -0.077 28.668 28.738 0.011 0.000 1.064 1616 Q HN 0.578 nan 8.270 nan 0.000 0.511 1617 D N 1.923 122.326 120.400 0.004 0.000 2.345 1617 D HA -0.016 4.624 4.640 -0.000 0.000 0.247 1617 D C 0.709 177.007 176.300 -0.003 0.000 1.108 1617 D CA -0.053 53.948 54.000 0.001 0.000 0.894 1617 D CB 0.899 41.700 40.800 0.002 0.000 1.203 1617 D HN 0.170 nan 8.370 nan 0.000 0.430 1618 E N 1.417 121.615 120.200 -0.004 0.000 2.405 1618 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 1618 E C 0.142 176.737 176.600 -0.009 0.000 1.149 1618 E CA 0.645 57.041 56.400 -0.006 0.000 0.933 1618 E CB 0.001 29.699 29.700 -0.004 0.000 1.028 1618 E HN 0.497 nan 8.360 nan 0.000 0.487 1619 E N -0.342 119.852 120.200 -0.011 0.000 2.536 1619 E HA 0.108 4.458 4.350 -0.000 0.000 0.220 1619 E C 0.757 177.346 176.600 -0.019 0.000 0.876 1619 E CA -0.094 56.297 56.400 -0.015 0.000 1.190 1619 E CB 0.453 30.144 29.700 -0.015 0.000 1.191 1619 E HN 0.135 nan 8.360 nan 0.000 0.557 1620 N N 0.687 119.377 118.700 -0.017 0.000 2.294 1620 N HA 0.034 4.774 4.740 -0.000 0.000 0.186 1620 N C 1.334 176.823 175.510 -0.035 0.000 1.107 1620 N CA 0.271 53.305 53.050 -0.026 0.000 0.884 1620 N CB 0.369 38.848 38.487 -0.014 0.000 1.030 1620 N HN 0.098 nan 8.380 nan 0.000 0.482 1621 Q N 0.434 120.220 119.800 -0.023 0.000 2.234 1621 Q HA -0.103 4.237 4.340 -0.000 0.000 0.206 1621 Q C 1.421 177.405 176.000 -0.027 0.000 0.980 1621 Q CA 1.232 57.022 55.803 -0.021 0.000 0.869 1621 Q CB 0.067 28.799 28.738 -0.011 0.000 0.912 1621 Q HN 0.055 nan 8.270 nan 0.000 0.436 1622 K N 0.621 121.004 120.400 -0.028 0.000 2.296 1622 K HA -0.099 4.221 4.320 -0.000 0.000 0.200 1622 K C 1.717 178.291 176.600 -0.043 0.000 1.048 1622 K CA 0.910 57.181 56.287 -0.027 0.000 0.966 1622 K CB 0.202 32.690 32.500 -0.020 0.000 0.754 1622 K HN 0.148 nan 8.250 nan 0.000 0.466 1623 Q N -1.202 118.559 119.800 -0.064 0.000 2.226 1623 Q HA -0.021 4.319 4.340 -0.000 0.000 0.199 1623 Q C 1.616 177.515 176.000 -0.168 0.000 0.945 1623 Q CA 0.988 56.729 55.803 -0.104 0.000 0.861 1623 Q CB 0.028 28.702 28.738 -0.108 0.000 0.953 1623 Q HN 0.344 nan 8.270 nan 0.000 0.490 1624 c N 1.346 119.850 118.600 -0.159 0.000 2.422 1624 c HA -0.061 4.509 4.570 -0.000 0.000 0.286 1624 c C 2.351 176.373 174.090 -0.114 0.000 1.412 1624 c CA 0.622 56.836 56.329 -0.191 0.000 1.786 1624 c CB -0.734 41.710 42.510 -0.109 0.000 1.835 1624 c HN 0.569 nan 8.230 nan 0.000 0.533 1625 Q N 0.330 120.089 119.800 -0.069 0.000 2.163 1625 Q HA -0.101 4.239 4.340 -0.000 0.000 0.198 1625 Q C 1.539 177.530 176.000 -0.015 0.000 0.954 1625 Q CA 1.082 56.870 55.803 -0.025 0.000 0.851 1625 Q CB -0.072 28.660 28.738 -0.011 0.000 0.928 1625 Q HN 0.615 nan 8.270 nan 0.000 0.459 1626 D N 0.891 121.268 120.400 -0.039 0.000 2.097 1626 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 1626 D C 1.921 178.222 176.300 0.001 0.000 0.984 1626 D CA 0.941 54.934 54.000 -0.011 0.000 0.826 1626 D CB -0.128 40.655 40.800 -0.029 0.000 0.973 1626 D HN 0.141 nan 8.370 nan 0.000 0.460 1627 L N 0.449 121.587 121.223 -0.141 0.000 2.046 1627 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 1627 L C 2.560 179.454 176.870 0.040 0.000 1.077 1627 L CA 1.427 56.131 54.840 -0.227 0.000 0.747 1627 L CB -0.875 40.638 42.059 -0.910 0.000 0.896 1627 L HN 0.105 nan 8.230 nan 0.000 0.432 1628 G N -0.307 108.506 108.800 0.022 0.000 2.440 1628 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 1628 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 1628 G C 1.748 176.743 174.900 0.159 0.000 1.154 1628 G CA 0.856 46.046 45.100 0.149 0.000 0.767 1628 G HN 0.473 nan 8.290 nan 0.000 0.552 1629 A N 0.183 123.078 122.820 0.124 0.000 1.929 1629 A HA 0.179 4.499 4.320 -0.000 0.000 0.216 1629 A C 2.126 179.800 177.584 0.150 0.000 1.176 1629 A CA 1.326 53.432 52.037 0.116 0.000 0.628 1629 A CB -0.462 18.588 19.000 0.083 0.000 0.816 1629 A HN 0.413 nan 8.150 nan 0.000 0.444 1630 F N 1.435 121.417 119.950 0.054 0.000 2.171 1630 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 1630 F C 2.345 178.213 175.800 0.113 0.000 1.090 1630 F CA 2.183 60.223 58.000 0.066 0.000 1.293 1630 F CB -0.467 38.571 39.000 0.063 0.000 1.013 1630 F HN 0.198 nan 8.300 nan 0.000 0.486 1631 T N 0.337 115.053 114.554 0.271 0.000 2.614 1631 T HA -0.201 4.149 4.350 -0.000 0.000 0.263 1631 T C 1.742 176.468 174.700 0.043 0.000 1.055 1631 T CA 1.851 64.071 62.100 0.199 0.000 1.162 1631 T CB -0.415 68.656 68.868 0.339 0.000 0.863 1631 T HN 0.360 nan 8.240 nan 0.000 0.414 1632 E N 0.892 121.139 120.200 0.079 0.000 2.085 1632 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 1632 E C 2.452 179.094 176.600 0.070 0.000 0.994 1632 E CA 1.192 57.629 56.400 0.061 0.000 0.801 1632 E CB -0.228 29.523 29.700 0.084 0.000 0.743 1632 E HN 0.325 nan 8.360 nan 0.000 0.453 1633 S N -0.066 115.669 115.700 0.059 0.000 2.399 1633 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 1633 S C 1.806 176.412 174.600 0.009 0.000 1.022 1633 S CA 0.886 59.147 58.200 0.102 0.000 0.983 1633 S CB 0.070 63.249 63.200 -0.035 0.000 0.803 1633 S HN 0.139 nan 8.310 nan 0.000 0.480 1634 M N 0.369 119.858 119.600 -0.184 0.000 2.510 1634 M HA 0.165 4.645 4.480 -0.000 0.000 0.256 1634 M C 1.841 178.082 176.300 -0.099 0.000 1.132 1634 M CA 0.513 55.671 55.300 -0.236 0.000 1.105 1634 M CB -0.531 31.766 32.600 -0.505 0.000 1.375 1634 M HN 0.210 nan 8.290 nan 0.000 0.477 1635 V N -0.705 119.175 119.914 -0.057 0.000 2.374 1635 V HA -0.085 4.035 4.120 -0.000 0.000 0.241 1635 V C 2.391 178.439 176.094 -0.076 0.000 1.034 1635 V CA 0.927 63.203 62.300 -0.040 0.000 1.037 1635 V CB -0.400 31.412 31.823 -0.018 0.000 0.682 1635 V HN 0.113 nan 8.190 nan 0.000 0.463 1636 V N -0.257 119.578 119.914 -0.132 0.000 2.244 1636 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 1636 V C 2.158 178.031 176.094 -0.369 0.000 1.042 1636 V CA 2.343 64.445 62.300 -0.330 0.000 1.006 1636 V CB -0.676 30.788 31.823 -0.599 0.000 0.641 1636 V HN 0.464 nan 8.190 nan 0.000 0.446 1637 F N 0.309 120.227 119.950 -0.053 0.000 2.317 1637 F HA 0.472 4.999 4.527 -0.000 0.000 0.293 1637 F C 1.592 177.354 175.800 -0.064 0.000 1.085 1637 F CA 0.810 58.778 58.000 -0.054 0.000 1.390 1637 F CB -0.814 38.151 39.000 -0.058 0.000 1.077 1637 F HN 0.345 nan 8.300 nan 0.000 0.517 1638 G N -0.227 108.627 108.800 0.091 0.000 2.782 1638 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.228 1638 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.228 1638 G C -0.549 174.342 174.900 -0.015 0.000 1.372 1638 G CA -1.125 43.978 45.100 0.005 0.000 0.862 1638 G HN 0.307 nan 8.290 nan 0.000 0.547 1639 c N 2.952 121.519 118.600 -0.055 0.000 2.596 1639 c HA 0.405 4.975 4.570 -0.000 0.000 0.414 1639 c C -0.585 173.477 174.090 -0.047 0.000 1.396 1639 c CA 0.064 56.349 56.329 -0.075 0.000 1.698 1639 c CB -0.159 42.300 42.510 -0.085 0.000 2.572 1639 c HN 0.717 nan 8.230 nan 0.000 0.604 1640 P HA 0.232 nan 4.420 nan 0.000 0.279 1640 P C -0.277 176.998 177.300 -0.043 0.000 1.239 1640 P CA 0.194 63.265 63.100 -0.048 0.000 0.789 1640 P CB 0.480 32.140 31.700 -0.068 0.000 0.933 1641 N N 0.000 118.682 118.700 -0.031 0.000 1.763 1641 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1641 N CA 0.000 53.034 53.050 -0.026 0.000 0.885 1641 N CB 0.000 38.469 38.487 -0.030 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667