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_B 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 0.000 176.335 176.300 0.058 0.000 2.045 730 D CA 0.000 54.064 54.000 0.107 0.000 0.868 730 D CB 0.000 40.931 40.800 0.218 0.000 0.688 731 E N 0.599 120.850 120.200 0.085 0.000 2.107 731 E HA 0.056 4.405 4.350 -0.002 0.000 0.191 731 E C 0.441 177.053 176.600 0.020 0.000 0.982 731 E CA 1.189 57.620 56.400 0.053 0.000 0.809 731 E CB 0.124 29.864 29.700 0.067 0.000 0.756 731 E HN 0.218 nan 8.360 nan 0.000 0.459 732 D N -1.306 119.093 120.400 -0.002 0.000 2.509 732 D HA 0.270 4.909 4.640 -0.002 0.000 0.275 732 D C 0.689 176.873 176.300 -0.193 0.000 1.189 732 D CA -0.137 53.817 54.000 -0.077 0.000 1.098 732 D CB 0.469 41.200 40.800 -0.115 0.000 1.177 732 D HN 0.003 nan 8.370 nan 0.000 0.599 733 I N -2.328 118.095 120.570 -0.245 0.000 8.632 733 I HA -0.293 3.876 4.170 -0.002 0.000 0.126 733 I C -1.014 175.043 176.117 -0.100 0.000 1.745 733 I CA 0.139 61.289 61.300 -0.250 0.000 2.187 733 I CB -0.590 37.075 38.000 -0.559 0.000 3.663 733 I HN 0.297 nan 8.210 nan 0.000 0.213 734 I N 2.595 123.128 120.570 -0.062 0.000 2.532 734 I HA 0.522 4.691 4.170 -0.002 0.000 0.292 734 I C 1.208 177.300 176.117 -0.042 0.000 1.014 734 I CA -0.043 61.243 61.300 -0.025 0.000 1.340 734 I CB 1.258 39.248 38.000 -0.016 0.000 1.422 734 I HN 0.785 nan 8.210 nan 0.000 0.528 735 A N 5.040 127.846 122.820 -0.024 0.000 2.511 735 A HA 0.066 4.385 4.320 -0.002 0.000 0.242 735 A C 1.026 178.605 177.584 -0.008 0.000 1.069 735 A CA -0.234 51.793 52.037 -0.017 0.000 0.763 735 A CB 0.073 19.069 19.000 -0.006 0.000 1.001 735 A HN 0.780 nan 8.150 nan 0.000 0.498 736 E N 1.826 122.025 120.200 -0.002 0.000 2.533 736 E HA -0.099 4.250 4.350 -0.002 0.000 0.201 736 E C 0.473 177.084 176.600 0.018 0.000 1.097 736 E CA 0.913 57.321 56.400 0.014 0.000 0.887 736 E CB 0.098 29.812 29.700 0.023 0.000 0.855 736 E HN 0.810 nan 8.360 nan 0.000 0.540 737 E N -0.139 120.067 120.200 0.011 0.000 2.330 737 E HA 0.053 4.402 4.350 -0.002 0.000 0.200 737 E C 0.917 177.521 176.600 0.006 0.000 0.922 737 E CA 0.074 56.481 56.400 0.012 0.000 0.935 737 E CB 0.133 29.840 29.700 0.011 0.000 0.917 737 E HN 0.004 nan 8.360 nan 0.000 0.491 738 N N 0.616 119.315 118.700 -0.001 0.000 2.421 738 N HA 0.102 4.841 4.740 -0.002 0.000 0.201 738 N C -0.596 174.909 175.510 -0.009 0.000 1.198 738 N CA 0.309 53.353 53.050 -0.009 0.000 0.838 738 N CB 0.171 38.646 38.487 -0.020 0.000 1.011 738 N HN 0.196 nan 8.380 nan 0.000 0.463 739 I N 0.985 121.558 120.570 0.005 0.000 2.297 739 I HA 0.153 4.322 4.170 -0.002 0.000 0.291 739 I C -0.188 175.940 176.117 0.019 0.000 1.033 739 I CA -0.717 60.592 61.300 0.016 0.000 1.253 739 I CB 1.272 39.292 38.000 0.034 0.000 1.396 739 I HN -0.315 nan 8.210 nan 0.000 0.476 740 V N 6.131 126.054 119.914 0.014 0.000 2.356 740 V HA 0.119 4.238 4.120 -0.002 0.000 0.258 740 V C 0.612 176.721 176.094 0.024 0.000 1.065 740 V CA -0.125 62.182 62.300 0.012 0.000 0.935 740 V CB 0.592 32.416 31.823 0.000 0.000 1.061 740 V HN 0.749 nan 8.190 nan 0.000 0.484 741 S N 5.450 121.168 115.700 0.030 0.000 2.585 741 S HA 0.401 4.869 4.470 -0.002 0.000 0.273 741 S C 0.513 175.136 174.600 0.037 0.000 1.339 741 S CA -0.619 57.612 58.200 0.051 0.000 1.028 741 S CB 0.639 63.874 63.200 0.059 0.000 0.906 741 S HN 0.669 nan 8.310 nan 0.000 0.528 742 R N 0.842 121.391 120.500 0.082 0.000 2.679 742 R HA 0.276 4.615 4.340 -0.002 0.000 0.269 742 R C 0.955 177.213 176.300 -0.070 0.000 1.076 742 R CA 0.257 56.374 56.100 0.029 0.000 1.160 742 R CB 0.385 30.815 30.300 0.217 0.000 1.054 742 R HN 0.875 nan 8.270 nan 0.000 0.507 743 S N -0.965 114.433 115.700 -0.505 0.000 2.660 743 S HA -0.008 4.461 4.470 -0.002 0.000 0.262 743 S C -0.178 173.810 174.600 -1.020 0.000 1.006 743 S CA -0.627 57.240 58.200 -0.556 0.000 1.174 743 S CB 0.095 63.167 63.200 -0.213 0.000 0.939 743 S HN 0.562 nan 8.310 nan 0.000 0.438 744 E N 1.718 121.398 120.200 -0.867 0.000 1.985 744 E HA 0.261 4.610 4.350 -0.002 0.000 0.268 744 E C -1.489 174.705 176.600 -0.678 0.000 1.219 744 E CA -0.036 56.002 56.400 -0.604 0.000 0.942 744 E CB -0.082 29.392 29.700 -0.377 0.000 1.045 744 E HN 0.468 nan 8.360 nan 0.000 0.413 745 F N 3.256 123.229 119.950 0.038 0.000 2.523 745 F HA 0.298 4.824 4.527 -0.002 0.000 0.322 745 F C -2.074 173.815 175.800 0.149 0.000 1.361 745 F CA -2.611 55.453 58.000 0.106 0.000 1.151 745 F CB 0.220 39.266 39.000 0.075 0.000 1.391 745 F HN 0.212 nan 8.300 nan 0.000 0.566 746 P HA 0.203 nan 4.420 nan 0.000 0.274 746 P C 0.564 178.128 177.300 0.440 0.000 1.231 746 P CA -0.199 63.064 63.100 0.272 0.000 0.790 746 P CB 1.172 32.975 31.700 0.172 0.000 0.951 747 E N -0.205 120.193 120.200 0.330 0.000 2.385 747 E HA 0.054 4.402 4.350 -0.002 0.000 0.194 747 E C -0.003 176.829 176.600 0.385 0.000 1.013 747 E CA 0.414 57.008 56.400 0.323 0.000 0.866 747 E CB 0.205 30.017 29.700 0.186 0.000 0.832 747 E HN 0.537 nan 8.360 nan 0.000 0.500 748 S N -0.003 115.923 115.700 0.375 0.000 2.535 748 S HA 0.539 5.008 4.470 -0.002 0.000 0.272 748 S C -1.200 173.618 174.600 0.364 0.000 1.149 748 S CA -1.188 57.201 58.200 0.314 0.000 0.888 748 S CB 1.337 64.629 63.200 0.152 0.000 1.110 748 S HN 0.328 nan 8.310 nan 0.000 0.463 749 W N 0.685 122.021 121.300 0.060 0.000 2.871 749 W HA 0.679 5.337 4.660 -0.002 0.000 0.416 749 W C -0.730 175.834 176.519 0.075 0.000 1.108 749 W CA -1.090 56.269 57.345 0.023 0.000 1.179 749 W CB -0.068 29.330 29.460 -0.103 0.000 1.479 749 W HN 1.318 nan 8.180 nan 0.000 0.598 750 L N 1.331 122.714 121.223 0.266 0.000 3.730 750 L HA -0.213 4.126 4.340 -0.002 0.000 0.410 750 L C -0.003 176.911 176.870 0.074 0.000 1.234 750 L CA 0.373 55.235 54.840 0.037 0.000 0.911 750 L CB -1.333 40.420 42.059 -0.509 0.000 1.942 750 L HN 0.646 nan 8.230 nan 0.000 0.860 751 W N 2.705 123.999 121.300 -0.009 0.000 1.694 751 W HA 0.246 4.905 4.660 -0.002 0.000 0.425 751 W C 0.320 176.836 176.519 -0.004 0.000 0.615 751 W CA -0.303 57.033 57.345 -0.015 0.000 2.237 751 W CB -0.082 29.383 29.460 0.009 0.000 1.478 751 W HN 0.400 nan 8.180 nan 0.000 0.427 752 N N 0.461 119.103 118.700 -0.096 0.000 2.619 752 N HA 0.469 5.208 4.740 -0.002 0.000 0.294 752 N C -1.146 174.253 175.510 -0.184 0.000 1.279 752 N CA -0.641 52.349 53.050 -0.099 0.000 0.867 752 N CB 2.159 40.639 38.487 -0.013 0.000 1.329 752 N HN -0.256 nan 8.380 nan 0.000 0.557 753 V N 0.704 120.544 119.914 -0.123 0.000 2.823 753 V HA 0.419 4.538 4.120 -0.002 0.000 0.312 753 V C -0.676 175.369 176.094 -0.081 0.000 1.072 753 V CA -0.630 61.594 62.300 -0.125 0.000 0.937 753 V CB 2.178 33.933 31.823 -0.114 0.000 1.013 753 V HN 0.540 nan 8.190 nan 0.000 0.430 754 E N 1.831 121.983 120.200 -0.081 0.000 2.292 754 E HA 0.483 4.832 4.350 -0.002 0.000 0.272 754 E C -1.786 174.781 176.600 -0.055 0.000 0.881 754 E CA -0.711 55.654 56.400 -0.059 0.000 0.754 754 E CB 2.652 32.317 29.700 -0.058 0.000 1.201 754 E HN 0.614 nan 8.360 nan 0.000 0.425 755 D N 1.827 122.202 120.400 -0.043 0.000 2.192 755 D HA 0.369 5.008 4.640 -0.002 0.000 0.246 755 D C -0.129 176.151 176.300 -0.034 0.000 1.042 755 D CA -0.453 53.525 54.000 -0.038 0.000 0.847 755 D CB 1.507 42.288 40.800 -0.032 0.000 1.186 755 D HN 0.207 nan 8.370 nan 0.000 0.461 756 L N 2.696 123.898 121.223 -0.034 0.000 2.315 756 L HA 0.311 4.650 4.340 -0.002 0.000 0.278 756 L C 1.188 178.043 176.870 -0.025 0.000 1.088 756 L CA -0.131 54.690 54.840 -0.031 0.000 0.899 756 L CB 0.430 42.469 42.059 -0.034 0.000 1.277 756 L HN 0.181 nan 8.230 nan 0.000 0.431 757 K N 0.624 121.011 120.400 -0.022 0.000 2.374 757 K HA 0.154 4.473 4.320 -0.002 0.000 0.202 757 K C 0.045 176.635 176.600 -0.017 0.000 1.040 757 K CA -0.330 55.946 56.287 -0.019 0.000 1.085 757 K CB 0.704 33.194 32.500 -0.017 0.000 0.873 757 K HN 0.411 nan 8.250 nan 0.000 0.539 758 E N 1.961 122.150 120.200 -0.018 0.000 2.438 758 E HA 0.008 4.357 4.350 -0.002 0.000 0.261 758 E C -2.506 174.085 176.600 -0.015 0.000 1.103 758 E CA -1.618 54.772 56.400 -0.016 0.000 0.959 758 E CB -0.160 29.529 29.700 -0.018 0.000 0.958 758 E HN -0.114 nan 8.360 nan 0.000 0.447 759 P HA 0.022 nan 4.420 nan 0.000 0.256 759 P C -2.398 174.894 177.300 -0.013 0.000 1.189 759 P CA -0.592 62.501 63.100 -0.012 0.000 0.808 759 P CB -0.243 31.451 31.700 -0.011 0.000 0.793 760 P HA 0.147 nan 4.420 nan 0.000 0.270 760 P C -0.455 176.837 177.300 -0.013 0.000 1.242 760 P CA 0.243 63.335 63.100 -0.014 0.000 0.768 760 P CB 0.569 32.260 31.700 -0.014 0.000 0.820 761 K N 3.376 123.768 120.400 -0.013 0.000 2.413 761 K HA 0.266 4.585 4.320 -0.002 0.000 0.257 761 K C -0.163 176.430 176.600 -0.012 0.000 0.946 761 K CA -0.672 55.608 56.287 -0.012 0.000 0.823 761 K CB 1.143 33.636 32.500 -0.011 0.000 1.109 761 K HN 0.219 nan 8.250 nan 0.000 0.427 762 N N 1.473 120.167 118.700 -0.011 0.000 2.782 762 N HA -0.177 4.562 4.740 -0.002 0.000 0.251 762 N C 0.573 176.076 175.510 -0.012 0.000 1.101 762 N CA 1.410 54.454 53.050 -0.011 0.000 0.764 762 N CB -1.439 37.042 38.487 -0.011 0.000 1.122 762 N HN 1.113 nan 8.380 nan 0.000 0.561 763 G N -1.179 107.614 108.800 -0.013 0.000 2.153 763 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.252 763 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.252 763 G C -0.175 174.715 174.900 -0.016 0.000 0.994 763 G CA 0.491 45.582 45.100 -0.014 0.000 0.698 763 G HN 0.422 nan 8.290 nan 0.000 0.521 764 I N 1.875 122.435 120.570 -0.017 0.000 2.502 764 I HA 0.325 4.493 4.170 -0.002 0.000 0.276 764 I C 0.596 176.699 176.117 -0.023 0.000 1.057 764 I CA -0.862 60.426 61.300 -0.021 0.000 1.163 764 I CB 0.618 38.605 38.000 -0.021 0.000 1.288 764 I HN 0.023 nan 8.210 nan 0.000 0.479 765 S N 4.036 119.721 115.700 -0.024 0.000 2.576 765 S HA 0.505 4.974 4.470 -0.002 0.000 0.276 765 S C 0.440 175.021 174.600 -0.031 0.000 1.339 765 S CA -0.028 58.156 58.200 -0.026 0.000 1.039 765 S CB 0.863 64.048 63.200 -0.026 0.000 0.902 765 S HN 0.582 nan 8.310 nan 0.000 0.516 766 T N 2.812 117.348 114.554 -0.031 0.000 2.928 766 T HA 0.388 4.737 4.350 -0.002 0.000 0.296 766 T C -0.626 174.053 174.700 -0.035 0.000 1.000 766 T CA -0.746 61.332 62.100 -0.037 0.000 0.989 766 T CB 1.375 70.222 68.868 -0.036 0.000 1.005 766 T HN 0.509 nan 8.240 nan 0.000 0.442 767 K N 3.164 123.539 120.400 -0.042 0.000 2.156 767 K HA 0.680 4.998 4.320 -0.002 0.000 0.254 767 K C -1.169 175.406 176.600 -0.041 0.000 0.950 767 K CA -0.925 55.340 56.287 -0.037 0.000 0.849 767 K CB 0.994 33.471 32.500 -0.037 0.000 1.100 767 K HN 0.491 nan 8.250 nan 0.000 0.434 768 L N 5.402 126.606 121.223 -0.031 0.000 2.337 768 L HA 0.387 4.726 4.340 -0.002 0.000 0.269 768 L C -0.392 176.467 176.870 -0.019 0.000 1.018 768 L CA -0.543 54.278 54.840 -0.031 0.000 0.876 768 L CB 1.212 43.256 42.059 -0.025 0.000 1.236 768 L HN 0.612 nan 8.230 nan 0.000 0.436 769 M N 2.779 122.366 119.600 -0.021 0.000 2.185 769 M HA 0.168 4.647 4.480 -0.002 0.000 0.357 769 M C 0.184 176.491 176.300 0.013 0.000 1.260 769 M CA 0.320 55.620 55.300 0.000 0.000 1.124 769 M CB 0.823 33.421 32.600 -0.003 0.000 1.600 769 M HN 0.463 nan 8.290 nan 0.000 0.467 770 N N 5.344 124.066 118.700 0.036 0.000 2.699 770 N HA 0.398 5.137 4.740 -0.002 0.000 0.232 770 N C -1.122 174.445 175.510 0.095 0.000 1.027 770 N CA -0.365 52.703 53.050 0.030 0.000 0.920 770 N CB 0.636 39.139 38.487 0.025 0.000 1.148 770 N HN 0.618 nan 8.380 nan 0.000 0.509 771 I N -0.878 119.745 120.570 0.089 0.000 2.793 771 I HA 0.567 4.736 4.170 -0.002 0.000 0.313 771 I C -1.055 175.138 176.117 0.128 0.000 0.998 771 I CA -0.796 60.637 61.300 0.222 0.000 1.140 771 I CB 1.033 39.192 38.000 0.266 0.000 1.327 771 I HN 0.089 nan 8.210 nan 0.000 0.491 772 F N 3.761 123.718 119.950 0.013 0.000 2.388 772 F HA 0.513 5.039 4.527 -0.002 0.000 0.358 772 F C 0.101 175.737 175.800 -0.274 0.000 1.122 772 F CA -0.585 57.358 58.000 -0.095 0.000 1.056 772 F CB 1.308 40.236 39.000 -0.122 0.000 1.155 772 F HN 0.289 nan 8.300 nan 0.000 0.461 773 L N 4.665 125.820 121.223 -0.113 0.000 2.461 773 L HA 0.143 4.482 4.340 -0.002 0.000 0.272 773 L C 0.808 177.454 176.870 -0.373 0.000 1.197 773 L CA -0.484 54.198 54.840 -0.263 0.000 0.836 773 L CB 0.328 42.381 42.059 -0.010 0.000 1.105 773 L HN 0.476 nan 8.230 nan 0.000 0.477 774 K N 1.481 121.500 120.400 -0.634 0.000 2.136 774 K HA 0.043 4.361 4.320 -0.002 0.000 0.237 774 K C 0.377 176.949 176.600 -0.047 0.000 1.048 774 K CA -0.313 55.714 56.287 -0.434 0.000 0.880 774 K CB 0.371 32.528 32.500 -0.571 0.000 1.105 774 K HN 0.449 nan 8.250 nan 0.000 0.507 775 D N -0.001 120.378 120.400 -0.034 0.000 2.347 775 D HA -0.011 4.628 4.640 -0.002 0.000 0.213 775 D C -0.011 176.503 176.300 0.357 0.000 0.985 775 D CA 0.515 54.557 54.000 0.070 0.000 0.879 775 D CB 0.057 40.755 40.800 -0.171 0.000 0.919 775 D HN 0.201 nan 8.370 nan 0.000 0.526 776 S N 0.465 116.473 115.700 0.514 0.000 2.562 776 S HA 0.179 4.648 4.470 -0.002 0.000 0.281 776 S C 0.661 175.340 174.600 0.132 0.000 1.333 776 S CA -0.220 58.253 58.200 0.454 0.000 1.052 776 S CB 0.947 64.435 63.200 0.479 0.000 0.884 776 S HN 0.104 nan 8.310 nan 0.000 0.506 777 I N 3.029 123.523 120.570 -0.126 0.000 2.306 777 I HA 0.387 4.556 4.170 -0.002 0.000 0.288 777 I C 0.584 176.474 176.117 -0.379 0.000 1.036 777 I CA 0.063 61.177 61.300 -0.309 0.000 1.221 777 I CB 0.844 38.480 38.000 -0.606 0.000 1.385 777 I HN 0.666 nan 8.210 nan 0.000 0.472 778 T N 3.036 117.350 114.554 -0.400 0.000 2.680 778 T HA 0.246 4.595 4.350 -0.002 0.000 0.283 778 T C -1.247 173.185 174.700 -0.446 0.000 1.774 778 T CA -0.253 61.580 62.100 -0.446 0.000 0.969 778 T CB 1.523 70.063 68.868 -0.546 0.000 2.053 778 T HN 0.327 nan 8.240 nan 0.000 0.426 779 T N 1.999 116.285 114.554 -0.447 0.000 2.892 779 T HA 0.509 4.858 4.350 -0.002 0.000 0.311 779 T C -1.125 173.407 174.700 -0.280 0.000 1.033 779 T CA -0.274 61.644 62.100 -0.303 0.000 0.991 779 T CB 0.103 68.859 68.868 -0.186 0.000 0.981 779 T HN 0.421 nan 8.240 nan 0.000 0.457 780 W N 2.209 123.528 121.300 0.032 0.000 2.266 780 W HA 0.341 5.000 4.660 -0.002 0.000 0.317 780 W C 0.901 177.411 176.519 -0.016 0.000 1.310 780 W CA -0.649 56.732 57.345 0.059 0.000 1.207 780 W CB 0.457 30.019 29.460 0.170 0.000 1.199 780 W HN 0.552 nan 8.180 nan 0.000 0.544 781 E N 4.378 124.696 120.200 0.197 0.000 2.063 781 E HA 0.271 4.620 4.350 -0.002 0.000 0.265 781 E C -0.630 176.018 176.600 0.080 0.000 0.919 781 E CA -0.440 56.015 56.400 0.091 0.000 0.756 781 E CB 0.317 30.047 29.700 0.050 0.000 1.120 781 E HN 0.406 nan 8.360 nan 0.000 0.414 782 I N 4.753 125.377 120.570 0.090 0.000 2.441 782 I HA 0.135 4.304 4.170 -0.002 0.000 0.287 782 I C -0.316 175.832 176.117 0.051 0.000 1.049 782 I CA -0.515 60.809 61.300 0.039 0.000 1.381 782 I CB 0.738 38.786 38.000 0.080 0.000 1.409 782 I HN 0.438 nan 8.210 nan 0.000 0.523 783 L N 7.154 128.377 121.223 0.000 0.000 2.376 783 L HA 0.726 5.065 4.340 -0.002 0.000 0.275 783 L C -0.451 176.396 176.870 -0.037 0.000 0.987 783 L CA -0.232 54.610 54.840 0.003 0.000 0.828 783 L CB 1.390 43.458 42.059 0.016 0.000 1.249 783 L HN 0.657 nan 8.230 nan 0.000 0.409 784 A N 4.633 127.431 122.820 -0.037 0.000 2.324 784 A HA 0.861 5.180 4.320 -0.002 0.000 0.330 784 A C -1.286 176.262 177.584 -0.061 0.000 1.165 784 A CA -0.532 51.465 52.037 -0.066 0.000 0.813 784 A CB 1.527 20.486 19.000 -0.067 0.000 1.197 784 A HN 0.542 nan 8.150 nan 0.000 0.484 785 V N 2.488 122.352 119.914 -0.083 0.000 2.447 785 V HA 0.465 4.584 4.120 -0.002 0.000 0.292 785 V C 0.193 176.241 176.094 -0.076 0.000 1.021 785 V CA -0.418 61.839 62.300 -0.072 0.000 0.850 785 V CB 1.390 33.167 31.823 -0.078 0.000 1.005 785 V HN 1.077 nan 8.190 nan 0.000 0.426 786 S N 4.500 120.165 115.700 -0.058 0.000 2.617 786 S HA 0.875 5.344 4.470 -0.002 0.000 0.283 786 S C -0.531 174.041 174.600 -0.047 0.000 1.189 786 S CA -0.696 57.471 58.200 -0.055 0.000 1.036 786 S CB 1.898 65.070 63.200 -0.046 0.000 1.014 786 S HN 0.709 nan 8.310 nan 0.000 0.522 787 M N 2.970 122.542 119.600 -0.046 0.000 2.031 787 M HA 0.435 4.914 4.480 -0.002 0.000 0.273 787 M C -0.731 175.550 176.300 -0.033 0.000 0.904 787 M CA -0.175 55.102 55.300 -0.038 0.000 0.963 787 M CB 1.517 34.093 32.600 -0.041 0.000 1.707 787 M HN 0.764 nan 8.290 nan 0.000 0.427 788 S N 1.866 117.549 115.700 -0.027 0.000 2.480 788 S HA 0.390 4.859 4.470 -0.002 0.000 0.286 788 S C 0.746 175.334 174.600 -0.020 0.000 1.180 788 S CA -0.441 57.745 58.200 -0.024 0.000 1.075 788 S CB 0.686 63.873 63.200 -0.022 0.000 0.996 788 S HN 0.770 nan 8.310 nan 0.000 0.487 789 D N 4.524 124.913 120.400 -0.019 0.000 2.310 789 D HA -0.074 4.565 4.640 -0.002 0.000 0.212 789 D C 1.105 177.396 176.300 -0.014 0.000 0.965 789 D CA 1.191 55.181 54.000 -0.016 0.000 0.879 789 D CB 0.098 40.889 40.800 -0.015 0.000 0.921 789 D HN 0.566 nan 8.370 nan 0.000 0.510 790 K N -0.223 120.168 120.400 -0.015 0.000 2.216 790 K HA 0.110 4.428 4.320 -0.002 0.000 0.207 790 K C 2.068 178.661 176.600 -0.013 0.000 1.041 790 K CA -0.019 56.260 56.287 -0.013 0.000 0.966 790 K CB 0.303 32.796 32.500 -0.013 0.000 0.955 790 K HN -0.142 nan 8.250 nan 0.000 0.468 791 K N 0.406 120.797 120.400 -0.014 0.000 1.980 791 K HA 0.048 4.367 4.320 -0.002 0.000 0.208 791 K C 1.351 177.943 176.600 -0.014 0.000 1.043 791 K CA 1.551 57.830 56.287 -0.014 0.000 0.938 791 K CB -0.104 32.386 32.500 -0.016 0.000 0.724 791 K HN 0.396 nan 8.250 nan 0.000 0.438 792 G N 0.374 109.164 108.800 -0.016 0.000 2.247 792 G HA2 -0.016 3.943 3.960 -0.002 0.000 0.229 792 G HA3 -0.016 3.943 3.960 -0.002 0.000 0.229 792 G C -1.428 173.462 174.900 -0.018 0.000 1.345 792 G CA -0.370 44.721 45.100 -0.015 0.000 1.100 792 G HN 0.185 nan 8.290 nan 0.000 0.473 793 I N -0.044 120.516 120.570 -0.016 0.000 2.498 793 I HA 0.717 4.886 4.170 -0.002 0.000 0.301 793 I C -0.557 175.549 176.117 -0.018 0.000 0.984 793 I CA -0.869 60.420 61.300 -0.019 0.000 1.204 793 I CB 1.596 39.586 38.000 -0.016 0.000 1.362 793 I HN 0.971 nan 8.210 nan 0.000 0.471 794 C N 7.724 127.011 119.300 -0.021 0.000 2.989 794 C HA 0.499 4.958 4.460 -0.002 0.000 0.397 794 C C -1.109 173.867 174.990 -0.022 0.000 1.022 794 C CA -0.539 58.468 59.018 -0.019 0.000 1.232 794 C CB 0.503 28.232 27.740 -0.019 0.000 1.638 794 C HN 0.630 nan 8.230 nan 0.000 0.534 795 V N 4.327 124.231 119.914 -0.016 0.000 2.370 795 V HA 0.879 4.997 4.120 -0.002 0.000 0.279 795 V C 0.663 176.751 176.094 -0.010 0.000 1.029 795 V CA 0.181 62.471 62.300 -0.016 0.000 0.870 795 V CB 0.715 32.532 31.823 -0.009 0.000 0.984 795 V HN 1.394 nan 8.190 nan 0.000 0.451 796 A N 3.782 126.594 122.820 -0.013 0.000 2.310 796 A HA 0.475 4.794 4.320 -0.002 0.000 0.260 796 A C 0.154 177.745 177.584 0.012 0.000 1.112 796 A CA -0.366 51.668 52.037 -0.005 0.000 0.804 796 A CB -0.010 18.982 19.000 -0.014 0.000 1.081 796 A HN 0.911 nan 8.150 nan 0.000 0.499 797 D N 0.931 121.345 120.400 0.023 0.000 2.350 797 D HA 0.427 5.066 4.640 -0.002 0.000 0.249 797 D C -2.269 174.072 176.300 0.067 0.000 1.119 797 D CA -0.755 53.268 54.000 0.040 0.000 0.886 797 D CB 0.046 40.872 40.800 0.043 0.000 1.195 797 D HN 0.178 nan 8.370 nan 0.000 0.437 798 P HA 0.043 nan 4.420 nan 0.000 0.262 798 P C -0.718 176.666 177.300 0.139 0.000 1.182 798 P CA -0.032 63.117 63.100 0.081 0.000 0.761 798 P CB 0.164 31.890 31.700 0.043 0.000 0.795 799 F N 2.905 122.855 119.950 -0.000 0.000 2.402 799 F HA 0.292 4.818 4.527 -0.002 0.000 0.355 799 F C 0.147 175.961 175.800 0.024 0.000 1.123 799 F CA -0.730 57.274 58.000 0.007 0.000 1.021 799 F CB 1.151 40.151 39.000 -0.001 0.000 1.160 799 F HN 0.251 nan 8.300 nan 0.000 0.451 800 E N 4.587 124.452 120.200 -0.558 0.000 2.266 800 E HA 0.514 4.863 4.350 -0.002 0.000 0.277 800 E C -1.212 175.062 176.600 -0.543 0.000 1.018 800 E CA -0.865 55.301 56.400 -0.389 0.000 0.840 800 E CB 2.374 31.927 29.700 -0.243 0.000 1.082 800 E HN 0.379 nan 8.360 nan 0.000 0.395 801 V N 3.146 122.952 119.914 -0.180 0.000 2.419 801 V HA 0.147 4.266 4.120 -0.002 0.000 0.287 801 V C -0.224 175.894 176.094 0.039 0.000 1.017 801 V CA -0.709 61.565 62.300 -0.043 0.000 0.844 801 V CB 1.691 33.621 31.823 0.179 0.000 1.011 801 V HN 0.699 nan 8.190 nan 0.000 0.429 802 T N 4.332 118.864 114.554 -0.036 0.000 2.897 802 T HA 0.483 4.832 4.350 -0.002 0.000 0.294 802 T C -0.073 174.624 174.700 -0.004 0.000 1.004 802 T CA -0.144 61.921 62.100 -0.059 0.000 1.106 802 T CB 1.370 70.182 68.868 -0.093 0.000 0.949 802 T HN 0.375 nan 8.240 nan 0.000 0.520 803 V N 4.506 124.398 119.914 -0.038 0.000 2.385 803 V HA 0.422 4.541 4.120 -0.002 0.000 0.277 803 V C -0.278 175.755 176.094 -0.101 0.000 1.012 803 V CA -0.639 61.663 62.300 0.004 0.000 0.832 803 V CB 1.014 32.923 31.823 0.143 0.000 1.028 803 V HN 0.853 nan 8.190 nan 0.000 0.436 804 M N 3.034 122.576 119.600 -0.098 0.000 2.777 804 M HA 0.670 5.149 4.480 -0.002 0.000 0.307 804 M C -1.082 175.190 176.300 -0.048 0.000 1.228 804 M CA -0.494 54.714 55.300 -0.153 0.000 0.871 804 M CB 2.791 35.293 32.600 -0.162 0.000 1.721 804 M HN 0.692 nan 8.290 nan 0.000 0.487 805 Q N 0.669 120.484 119.800 0.026 0.000 2.345 805 Q HA 0.219 4.558 4.340 -0.002 0.000 0.275 805 Q C -0.764 175.462 176.000 0.376 0.000 1.063 805 Q CA -0.685 55.231 55.803 0.190 0.000 0.819 805 Q CB 1.988 30.841 28.738 0.192 0.000 1.356 805 Q HN 0.774 nan 8.270 nan 0.000 0.418 806 D N 1.462 122.045 120.400 0.305 0.000 2.133 806 D HA -0.088 4.551 4.640 -0.002 0.000 0.195 806 D C -0.155 176.400 176.300 0.425 0.000 0.997 806 D CA 1.608 55.807 54.000 0.332 0.000 0.840 806 D CB 0.110 41.052 40.800 0.238 0.000 0.947 806 D HN 0.327 nan 8.370 nan 0.000 0.452 807 F N 0.395 120.490 119.950 0.241 0.000 2.539 807 F HA 0.447 4.973 4.527 -0.002 0.000 0.318 807 F C -1.439 174.516 175.800 0.260 0.000 1.135 807 F CA -1.260 56.828 58.000 0.147 0.000 0.915 807 F CB 0.997 40.043 39.000 0.078 0.000 1.176 807 F HN -0.153 nan 8.300 nan 0.000 0.440 808 F N 4.686 124.283 119.950 -0.588 0.000 2.711 808 F HA 0.769 5.295 4.527 -0.002 0.000 0.313 808 F C -2.054 173.505 175.800 -0.401 0.000 1.141 808 F CA -1.718 56.003 58.000 -0.465 0.000 0.941 808 F CB 1.066 39.993 39.000 -0.122 0.000 1.349 808 F HN 0.258 nan 8.300 nan 0.000 0.464 809 I N 1.396 122.001 120.570 0.058 0.000 2.441 809 I HA 0.325 4.494 4.170 -0.002 0.000 0.295 809 I C -1.251 175.015 176.117 0.249 0.000 0.994 809 I CA -0.520 60.817 61.300 0.061 0.000 1.144 809 I CB 1.718 39.729 38.000 0.018 0.000 1.314 809 I HN 0.563 nan 8.210 nan 0.000 0.445 810 D N 6.511 127.058 120.400 0.245 0.000 2.477 810 D HA 0.248 4.887 4.640 -0.002 0.000 0.239 810 D C -1.079 175.284 176.300 0.106 0.000 1.102 810 D CA -0.459 53.683 54.000 0.236 0.000 0.901 810 D CB 0.954 42.039 40.800 0.475 0.000 1.026 810 D HN 0.196 nan 8.370 nan 0.000 0.515 811 L N 4.580 125.822 121.223 0.032 0.000 2.302 811 L HA 0.379 4.718 4.340 -0.002 0.000 0.285 811 L C -0.155 176.708 176.870 -0.012 0.000 1.090 811 L CA -0.175 54.673 54.840 0.014 0.000 0.866 811 L CB 0.008 42.066 42.059 -0.002 0.000 1.244 811 L HN 0.188 nan 8.230 nan 0.000 0.435 812 R N 4.904 125.412 120.500 0.014 0.000 2.202 812 R HA 0.501 4.840 4.340 -0.002 0.000 0.334 812 R C -1.093 175.213 176.300 0.011 0.000 1.036 812 R CA -0.803 55.301 56.100 0.008 0.000 0.878 812 R CB 0.919 31.235 30.300 0.026 0.000 1.067 812 R HN 0.376 nan 8.270 nan 0.000 0.457 813 L N 3.994 125.220 121.223 0.005 0.000 2.330 813 L HA 0.523 4.862 4.340 -0.002 0.000 0.271 813 L C -1.831 175.056 176.870 0.030 0.000 1.013 813 L CA -2.096 52.751 54.840 0.012 0.000 0.816 813 L CB 0.877 42.937 42.059 0.001 0.000 1.287 813 L HN 0.445 nan 8.230 nan 0.000 0.435 814 P HA 0.068 nan 4.420 nan 0.000 0.273 814 P C 0.187 177.545 177.300 0.097 0.000 1.250 814 P CA -0.200 62.943 63.100 0.070 0.000 0.793 814 P CB 0.371 32.112 31.700 0.068 0.000 1.011 815 Y N 0.676 120.986 120.300 0.016 0.000 2.145 815 Y HA -0.125 4.423 4.550 -0.002 0.000 0.286 815 Y C 0.740 176.659 175.900 0.031 0.000 1.145 815 Y CA 1.931 60.044 58.100 0.022 0.000 1.148 815 Y CB 0.116 38.585 38.460 0.015 0.000 0.981 815 Y HN 0.436 nan 8.280 nan 0.000 0.507 816 S N -0.573 115.212 115.700 0.142 0.000 2.570 816 S HA 0.640 5.109 4.470 -0.002 0.000 0.270 816 S C -1.204 173.451 174.600 0.090 0.000 1.149 816 S CA -0.366 57.870 58.200 0.061 0.000 0.837 816 S CB 1.715 64.988 63.200 0.123 0.000 1.124 816 S HN 0.617 nan 8.310 nan 0.000 0.465 817 V N -0.934 119.024 119.914 0.072 0.000 2.876 817 V HA 0.860 4.978 4.120 -0.002 0.000 0.312 817 V C -0.401 175.735 176.094 0.070 0.000 1.085 817 V CA -0.968 61.379 62.300 0.080 0.000 0.945 817 V CB 1.254 33.135 31.823 0.097 0.000 1.017 817 V HN 0.883 nan 8.190 nan 0.000 0.428 818 V N 3.278 123.231 119.914 0.065 0.000 2.686 818 V HA 0.377 4.495 4.120 -0.002 0.000 0.295 818 V C 0.836 176.961 176.094 0.052 0.000 1.055 818 V CA -0.307 62.026 62.300 0.055 0.000 1.050 818 V CB 1.086 32.938 31.823 0.049 0.000 0.984 818 V HN 1.088 nan 8.190 nan 0.000 0.482 819 R N 4.258 124.783 120.500 0.041 0.000 2.590 819 R HA 0.083 4.421 4.340 -0.002 0.000 0.274 819 R C 0.784 177.103 176.300 0.030 0.000 1.061 819 R CA 0.313 56.428 56.100 0.025 0.000 1.081 819 R CB 0.051 30.359 30.300 0.014 0.000 0.984 819 R HN 0.876 nan 8.270 nan 0.000 0.448 820 N N 0.598 119.312 118.700 0.023 0.000 2.972 820 N HA -0.190 4.549 4.740 -0.002 0.000 0.225 820 N C -1.279 174.247 175.510 0.027 0.000 0.883 820 N CA 1.734 54.799 53.050 0.025 0.000 1.010 820 N CB -0.770 37.736 38.487 0.033 0.000 1.052 820 N HN 0.742 nan 8.380 nan 0.000 0.598 821 E N 1.254 121.477 120.200 0.038 0.000 2.130 821 E HA 0.148 4.497 4.350 -0.002 0.000 0.284 821 E C 0.219 176.844 176.600 0.042 0.000 1.018 821 E CA -0.282 56.147 56.400 0.048 0.000 0.817 821 E CB 1.028 30.767 29.700 0.065 0.000 1.078 821 E HN 0.155 nan 8.360 nan 0.000 0.396 822 Q N 3.351 123.151 119.800 -0.001 0.000 2.271 822 Q HA 0.157 4.496 4.340 -0.002 0.000 0.273 822 Q C -0.483 175.531 176.000 0.025 0.000 1.051 822 Q CA -0.309 55.433 55.803 -0.102 0.000 0.901 822 Q CB 0.495 29.024 28.738 -0.350 0.000 1.174 822 Q HN 0.431 nan 8.270 nan 0.000 0.385 823 V N 0.674 120.629 119.914 0.067 0.000 3.158 823 V HA 0.672 4.790 4.120 -0.002 0.000 0.315 823 V C -0.994 175.231 176.094 0.218 0.000 1.148 823 V CA -1.004 61.428 62.300 0.221 0.000 1.042 823 V CB 1.971 33.879 31.823 0.142 0.000 1.101 823 V HN 0.869 nan 8.190 nan 0.000 0.448 824 E N 1.226 121.572 120.200 0.244 0.000 2.218 824 E HA 0.600 4.949 4.350 -0.002 0.000 0.263 824 E C -1.105 175.562 176.600 0.112 0.000 0.879 824 E CA -0.848 55.669 56.400 0.195 0.000 0.762 824 E CB 1.948 31.800 29.700 0.254 0.000 1.166 824 E HN 0.899 nan 8.360 nan 0.000 0.415 825 I N 1.050 121.679 120.570 0.097 0.000 2.498 825 I HA 0.624 4.793 4.170 -0.002 0.000 0.301 825 I C -0.555 175.629 176.117 0.112 0.000 0.984 825 I CA -1.039 60.307 61.300 0.077 0.000 1.204 825 I CB 1.457 39.475 38.000 0.031 0.000 1.362 825 I HN 0.246 nan 8.210 nan 0.000 0.471 826 R N 4.453 125.003 120.500 0.083 0.000 2.437 826 R HA 0.664 5.003 4.340 -0.002 0.000 0.310 826 R C -0.965 175.388 176.300 0.088 0.000 0.955 826 R CA -0.861 55.284 56.100 0.076 0.000 0.851 826 R CB 1.899 32.221 30.300 0.037 0.000 1.161 826 R HN 0.875 nan 8.270 nan 0.000 0.446 827 A N 3.287 126.176 122.820 0.114 0.000 2.277 827 A HA 0.417 4.736 4.320 -0.002 0.000 0.318 827 A C -0.198 177.402 177.584 0.028 0.000 1.339 827 A CA -0.650 51.453 52.037 0.111 0.000 0.875 827 A CB 0.741 19.878 19.000 0.229 0.000 1.158 827 A HN 0.403 nan 8.150 nan 0.000 0.514 828 V N 4.305 124.212 119.914 -0.013 0.000 2.368 828 V HA 0.176 4.295 4.120 -0.002 0.000 0.266 828 V C -0.423 175.538 176.094 -0.223 0.000 1.045 828 V CA -0.198 62.005 62.300 -0.163 0.000 0.899 828 V CB 0.584 32.267 31.823 -0.234 0.000 1.006 828 V HN 0.682 nan 8.190 nan 0.000 0.470 829 L N 6.903 127.985 121.223 -0.236 0.000 2.268 829 L HA 0.421 4.759 4.340 -0.002 0.000 0.289 829 L C -0.213 176.446 176.870 -0.353 0.000 1.064 829 L CA 0.132 54.846 54.840 -0.210 0.000 0.824 829 L CB -0.079 41.985 42.059 0.008 0.000 1.202 829 L HN 0.449 nan 8.230 nan 0.000 0.433 830 Y N 2.095 122.097 120.300 -0.496 0.000 2.307 830 Y HA 0.384 4.933 4.550 -0.002 0.000 0.324 830 Y C 0.856 176.519 175.900 -0.395 0.000 1.238 830 Y CA -0.180 57.565 58.100 -0.591 0.000 1.280 830 Y CB 0.919 38.801 38.460 -0.962 0.000 1.248 830 Y HN 0.541 nan 8.280 nan 0.000 0.508 831 N N 1.520 120.086 118.700 -0.223 0.000 2.640 831 N HA 0.129 4.868 4.740 -0.002 0.000 0.262 831 N C -1.545 173.880 175.510 -0.141 0.000 1.174 831 N CA -0.531 52.491 53.050 -0.047 0.000 0.791 831 N CB -0.086 38.400 38.487 -0.003 0.000 1.279 831 N HN 0.515 nan 8.380 nan 0.000 0.535 832 Y N 0.935 121.302 120.300 0.112 0.000 2.495 832 Y HA 0.321 4.870 4.550 -0.002 0.000 0.293 832 Y C 0.639 176.593 175.900 0.090 0.000 1.186 832 Y CA -0.269 57.896 58.100 0.108 0.000 1.266 832 Y CB 0.168 38.707 38.460 0.131 0.000 1.101 832 Y HN 0.145 nan 8.280 nan 0.000 0.517 833 R N 1.038 121.637 120.500 0.165 0.000 2.404 833 R HA -0.042 4.297 4.340 -0.002 0.000 0.315 833 R C 1.310 177.660 176.300 0.084 0.000 1.032 833 R CA -0.083 56.082 56.100 0.108 0.000 0.992 833 R CB 0.647 30.977 30.300 0.050 0.000 0.959 833 R HN 0.273 nan 8.270 nan 0.000 0.428 834 Q N 2.681 122.535 119.800 0.089 0.000 2.029 834 Q HA -0.219 4.120 4.340 -0.002 0.000 0.209 834 Q C -0.036 175.994 176.000 0.050 0.000 0.999 834 Q CA 2.040 57.888 55.803 0.075 0.000 0.857 834 Q CB 0.091 28.870 28.738 0.068 0.000 0.926 834 Q HN 0.674 nan 8.270 nan 0.000 0.415 835 N N -0.188 118.535 118.700 0.038 0.000 2.752 835 N HA 0.216 4.955 4.740 -0.002 0.000 0.260 835 N C -1.690 173.830 175.510 0.017 0.000 1.562 835 N CA -0.349 52.717 53.050 0.025 0.000 0.788 835 N CB 0.844 39.346 38.487 0.025 0.000 1.192 835 N HN 0.222 nan 8.380 nan 0.000 0.503 836 Q N 0.707 120.511 119.800 0.006 0.000 2.507 836 Q HA 0.072 4.411 4.340 -0.002 0.000 0.242 836 Q C -1.464 174.521 176.000 -0.026 0.000 0.911 836 Q CA -0.421 55.378 55.803 -0.007 0.000 1.019 836 Q CB 1.705 30.435 28.738 -0.013 0.000 1.523 836 Q HN 0.573 nan 8.270 nan 0.000 0.459 837 E N 4.197 124.383 120.200 -0.023 0.000 2.392 837 E HA 0.468 4.817 4.350 -0.002 0.000 0.259 837 E C -0.863 175.708 176.600 -0.049 0.000 1.108 837 E CA -0.463 55.917 56.400 -0.034 0.000 0.916 837 E CB 1.068 30.753 29.700 -0.025 0.000 0.989 837 E HN 0.441 nan 8.360 nan 0.000 0.432 838 L N 1.701 122.883 121.223 -0.067 0.000 2.381 838 L HA 0.368 4.706 4.340 -0.002 0.000 0.274 838 L C -0.132 176.709 176.870 -0.049 0.000 0.988 838 L CA -0.925 53.856 54.840 -0.099 0.000 0.824 838 L CB 1.865 43.788 42.059 -0.226 0.000 1.263 838 L HN 0.614 nan 8.230 nan 0.000 0.410 839 K N 3.508 123.924 120.400 0.027 0.000 2.184 839 K HA 0.432 4.751 4.320 -0.002 0.000 0.259 839 K C -0.884 175.815 176.600 0.164 0.000 1.119 839 K CA -0.362 55.963 56.287 0.064 0.000 0.991 839 K CB 0.507 33.044 32.500 0.061 0.000 1.522 839 K HN 0.391 nan 8.250 nan 0.000 0.405 840 V N 3.010 122.966 119.914 0.070 0.000 2.837 840 V HA 0.426 4.545 4.120 -0.002 0.000 0.310 840 V C 0.084 176.278 176.094 0.166 0.000 1.059 840 V CA -0.900 61.443 62.300 0.072 0.000 1.004 840 V CB 1.556 33.384 31.823 0.008 0.000 1.045 840 V HN 0.645 nan 8.190 nan 0.000 0.465 841 R N 1.531 122.119 120.500 0.148 0.000 2.472 841 R HA 0.578 4.917 4.340 -0.002 0.000 0.294 841 R C -1.467 174.905 176.300 0.120 0.000 1.243 841 R CA -0.269 55.918 56.100 0.145 0.000 1.023 841 R CB 1.640 32.034 30.300 0.156 0.000 1.157 841 R HN 0.615 nan 8.270 nan 0.000 0.530 842 V N 3.103 123.098 119.914 0.135 0.000 2.567 842 V HA 0.444 4.563 4.120 -0.002 0.000 0.289 842 V C -0.583 175.619 176.094 0.180 0.000 1.049 842 V CA -0.045 62.356 62.300 0.168 0.000 0.969 842 V CB 1.639 33.581 31.823 0.199 0.000 0.995 842 V HN 0.867 nan 8.190 nan 0.000 0.471 843 E N 4.481 124.784 120.200 0.171 0.000 2.314 843 E HA 0.463 4.812 4.350 -0.002 0.000 0.272 843 E C -2.004 174.644 176.600 0.080 0.000 0.884 843 E CA -0.976 55.520 56.400 0.159 0.000 0.753 843 E CB 2.080 31.842 29.700 0.103 0.000 1.213 843 E HN 0.662 nan 8.360 nan 0.000 0.432 844 L N 4.693 125.935 121.223 0.032 0.000 2.282 844 L HA 0.379 4.718 4.340 -0.002 0.000 0.288 844 L C -1.429 175.403 176.870 -0.062 0.000 1.033 844 L CA -0.447 54.262 54.840 -0.218 0.000 0.807 844 L CB 0.864 42.550 42.059 -0.622 0.000 1.209 844 L HN 0.551 nan 8.230 nan 0.000 0.423 845 L N 4.570 125.755 121.223 -0.064 0.000 2.439 845 L HA 0.261 4.600 4.340 -0.002 0.000 0.269 845 L C 0.156 177.046 176.870 0.033 0.000 1.179 845 L CA 0.163 55.011 54.840 0.015 0.000 0.828 845 L CB 0.180 42.250 42.059 0.019 0.000 1.106 845 L HN 0.676 nan 8.230 nan 0.000 0.467 846 H N 2.494 121.571 119.070 0.011 0.000 2.707 846 H HA 0.354 4.909 4.556 -0.002 0.000 0.359 846 H C -0.437 174.925 175.328 0.057 0.000 1.113 846 H CA 0.175 56.241 56.048 0.030 0.000 1.422 846 H CB 0.542 30.328 29.762 0.039 0.000 1.443 846 H HN 0.570 nan 8.280 nan 0.000 0.591 847 N N 4.313 122.664 118.700 -0.583 0.000 2.542 847 N HA 0.169 4.908 4.740 -0.002 0.000 0.288 847 N C -2.448 172.854 175.510 -0.347 0.000 1.115 847 N CA -1.934 50.971 53.050 -0.241 0.000 0.924 847 N CB 1.836 40.399 38.487 0.125 0.000 1.526 847 N HN 0.355 nan 8.380 nan 0.000 0.515 848 P HA -0.055 nan 4.420 nan 0.000 0.218 848 P C 0.703 177.940 177.300 -0.105 0.000 1.146 848 P CA 1.148 64.214 63.100 -0.056 0.000 0.813 848 P CB 0.291 32.021 31.700 0.050 0.000 0.778 849 A N -2.886 119.827 122.820 -0.178 0.000 2.235 849 A HA 0.110 4.429 4.320 -0.002 0.000 0.208 849 A C 0.517 177.729 177.584 -0.620 0.000 1.172 849 A CA 0.664 52.475 52.037 -0.377 0.000 0.786 849 A CB -0.760 17.954 19.000 -0.477 0.000 0.804 849 A HN 0.066 nan 8.150 nan 0.000 0.479 850 F N -3.160 116.719 119.950 -0.119 0.000 2.631 850 F HA 0.542 5.068 4.527 -0.002 0.000 0.328 850 F C 0.021 175.745 175.800 -0.126 0.000 1.067 850 F CA -1.329 56.602 58.000 -0.117 0.000 0.969 850 F CB 1.455 40.375 39.000 -0.133 0.000 1.332 850 F HN -0.162 nan 8.300 nan 0.000 0.490 851 c N 2.612 121.287 118.600 0.125 0.000 2.653 851 c HA 0.748 5.317 4.570 -0.002 0.000 0.291 851 c C -0.422 173.659 174.090 -0.014 0.000 1.064 851 c CA -0.323 56.021 56.329 0.025 0.000 1.469 851 c CB -1.463 41.047 42.510 0.001 0.000 1.861 851 c HN 0.792 nan 8.230 nan 0.000 0.434 852 S N 4.378 120.055 115.700 -0.037 0.000 2.751 852 S HA 0.601 5.070 4.470 -0.002 0.000 0.310 852 S C 0.559 175.115 174.600 -0.074 0.000 1.128 852 S CA -0.816 57.324 58.200 -0.100 0.000 0.931 852 S CB 0.958 64.060 63.200 -0.164 0.000 1.177 852 S HN 0.615 nan 8.310 nan 0.000 0.530 853 L N 0.481 121.616 121.223 -0.147 0.000 2.622 853 L HA 0.207 4.546 4.340 -0.002 0.000 0.233 853 L C 1.125 178.049 176.870 0.091 0.000 1.156 853 L CA 0.368 55.200 54.840 -0.014 0.000 0.866 853 L CB -0.936 41.169 42.059 0.076 0.000 0.980 853 L HN 0.762 nan 8.230 nan 0.000 0.448 854 A N 0.421 123.281 122.820 0.068 0.000 2.252 854 A HA 0.519 4.838 4.320 -0.002 0.000 0.309 854 A C 0.501 178.245 177.584 0.265 0.000 1.285 854 A CA -0.363 51.780 52.037 0.177 0.000 0.900 854 A CB 0.206 19.305 19.000 0.165 0.000 1.157 854 A HN 0.256 nan 8.150 nan 0.000 0.536 855 T N -1.223 113.447 114.554 0.192 0.000 2.889 855 T HA 0.479 4.828 4.350 -0.002 0.000 0.278 855 T C 1.333 175.912 174.700 -0.202 0.000 0.995 855 T CA 0.302 62.467 62.100 0.109 0.000 0.966 855 T CB 0.583 69.472 68.868 0.034 0.000 1.237 855 T HN 0.822 nan 8.240 nan 0.000 0.591 856 T N -1.888 112.375 114.554 -0.486 0.000 3.035 856 T HA 0.097 4.446 4.350 -0.002 0.000 0.268 856 T C 1.210 175.813 174.700 -0.162 0.000 1.109 856 T CA 0.561 62.392 62.100 -0.449 0.000 1.119 856 T CB -0.325 68.321 68.868 -0.370 0.000 0.900 856 T HN 0.684 nan 8.240 nan 0.000 0.503 857 K N -0.265 120.080 120.400 -0.092 0.000 2.438 857 K HA 0.315 4.633 4.320 -0.002 0.000 0.206 857 K C 0.582 177.180 176.600 -0.003 0.000 1.081 857 K CA -0.331 55.936 56.287 -0.033 0.000 1.053 857 K CB 0.995 33.483 32.500 -0.020 0.000 0.908 857 K HN 0.166 nan 8.250 nan 0.000 0.556 858 R N 1.238 121.744 120.500 0.010 0.000 2.686 858 R HA 0.351 4.690 4.340 -0.002 0.000 0.286 858 R C -1.150 175.196 176.300 0.077 0.000 0.969 858 R CA -0.638 55.489 56.100 0.045 0.000 0.898 858 R CB 1.409 31.744 30.300 0.058 0.000 1.183 858 R HN -0.062 nan 8.270 nan 0.000 0.456 859 R N 2.610 123.161 120.500 0.085 0.000 2.246 859 R HA 0.149 4.488 4.340 -0.002 0.000 0.332 859 R C -0.489 175.896 176.300 0.142 0.000 0.974 859 R CA -0.610 55.554 56.100 0.108 0.000 0.837 859 R CB 0.966 31.312 30.300 0.077 0.000 1.145 859 R HN 0.495 nan 8.270 nan 0.000 0.467 860 H N 5.445 124.574 119.070 0.098 0.000 3.205 860 H HA 0.022 4.577 4.556 -0.002 0.000 0.262 860 H C -0.854 174.571 175.328 0.161 0.000 1.333 860 H CA 0.290 56.416 56.048 0.130 0.000 1.499 860 H CB 0.450 30.303 29.762 0.151 0.000 1.609 860 H HN 0.604 nan 8.280 nan 0.000 0.498 861 Q N 3.831 123.578 119.800 -0.088 0.000 2.271 861 Q HA 0.360 4.699 4.340 -0.002 0.000 0.268 861 Q C -1.347 174.609 176.000 -0.074 0.000 1.021 861 Q CA -1.196 54.599 55.803 -0.013 0.000 0.802 861 Q CB 2.126 30.896 28.738 0.054 0.000 1.282 861 Q HN 0.386 nan 8.270 nan 0.000 0.431 862 Q N 0.784 120.551 119.800 -0.055 0.000 2.180 862 Q HA 0.626 4.965 4.340 -0.002 0.000 0.241 862 Q C -0.853 175.134 176.000 -0.022 0.000 0.970 862 Q CA -0.294 55.464 55.803 -0.074 0.000 0.919 862 Q CB 2.111 30.785 28.738 -0.107 0.000 1.222 862 Q HN 0.674 nan 8.270 nan 0.000 0.482 863 T N 0.765 115.276 114.554 -0.072 0.000 2.890 863 T HA 0.606 4.955 4.350 -0.002 0.000 0.295 863 T C -0.980 173.659 174.700 -0.102 0.000 0.993 863 T CA -0.690 61.388 62.100 -0.037 0.000 0.979 863 T CB 0.559 69.411 68.868 -0.028 0.000 0.967 863 T HN 0.457 nan 8.240 nan 0.000 0.441 864 V N 0.610 120.499 119.914 -0.042 0.000 3.074 864 V HA 0.898 5.017 4.120 -0.002 0.000 0.314 864 V C -0.447 175.625 176.094 -0.036 0.000 1.117 864 V CA -0.955 61.312 62.300 -0.054 0.000 1.014 864 V CB 2.167 33.968 31.823 -0.037 0.000 1.057 864 V HN 0.693 nan 8.190 nan 0.000 0.438 865 T N 3.337 117.863 114.554 -0.046 0.000 2.791 865 T HA 0.640 4.989 4.350 -0.002 0.000 0.288 865 T C -0.247 174.426 174.700 -0.045 0.000 0.999 865 T CA -0.003 62.072 62.100 -0.042 0.000 0.952 865 T CB 0.616 69.457 68.868 -0.046 0.000 0.938 865 T HN 0.615 nan 8.240 nan 0.000 0.444 866 I N 5.589 126.134 120.570 -0.042 0.000 2.297 866 I HA 0.286 4.455 4.170 -0.002 0.000 0.291 866 I C -2.212 173.875 176.117 -0.050 0.000 1.033 866 I CA -2.557 58.715 61.300 -0.045 0.000 1.253 866 I CB 1.004 38.989 38.000 -0.025 0.000 1.396 866 I HN 0.256 nan 8.210 nan 0.000 0.476 867 P HA 0.091 nan 4.420 nan 0.000 0.270 867 P C -2.462 174.814 177.300 -0.041 0.000 1.227 867 P CA -0.884 62.188 63.100 -0.048 0.000 0.788 867 P CB -0.257 31.409 31.700 -0.057 0.000 0.926 868 P HA 0.023 nan 4.420 nan 0.000 0.269 868 P C -0.320 176.974 177.300 -0.010 0.000 1.209 868 P CA 0.240 63.333 63.100 -0.013 0.000 0.776 868 P CB 0.045 31.745 31.700 0.001 0.000 0.876 869 K N -0.738 119.658 120.400 -0.007 0.000 3.012 869 K HA -0.145 4.173 4.320 -0.002 0.000 0.259 869 K C 0.069 176.641 176.600 -0.048 0.000 0.989 869 K CA 0.846 57.129 56.287 -0.005 0.000 0.728 869 K CB -1.927 30.608 32.500 0.059 0.000 1.260 869 K HN 0.742 nan 8.250 nan 0.000 0.480 870 S N -1.833 113.803 115.700 -0.108 0.000 2.705 870 S HA 0.760 5.229 4.470 -0.002 0.000 0.280 870 S C -0.491 174.004 174.600 -0.175 0.000 1.174 870 S CA -0.312 57.839 58.200 -0.082 0.000 0.823 870 S CB 2.457 65.652 63.200 -0.009 0.000 1.162 870 S HN 0.325 nan 8.310 nan 0.000 0.487 871 S N -0.135 115.468 115.700 -0.161 0.000 2.667 871 S HA 0.874 5.343 4.470 -0.002 0.000 0.292 871 S C -1.465 173.008 174.600 -0.211 0.000 1.126 871 S CA -0.773 57.244 58.200 -0.304 0.000 0.881 871 S CB 1.387 64.222 63.200 -0.608 0.000 1.132 871 S HN 1.408 nan 8.310 nan 0.000 0.492 872 L N 0.836 121.913 121.223 -0.243 0.000 2.455 872 L HA 0.769 5.108 4.340 -0.002 0.000 0.264 872 L C -0.681 176.095 176.870 -0.157 0.000 0.968 872 L CA -0.157 54.593 54.840 -0.150 0.000 0.827 872 L CB 2.183 44.186 42.059 -0.094 0.000 1.317 872 L HN 0.908 nan 8.230 nan 0.000 0.407 873 S N 3.189 118.823 115.700 -0.110 0.000 2.462 873 S HA 0.779 5.248 4.470 -0.002 0.000 0.294 873 S C -1.014 173.545 174.600 -0.067 0.000 1.144 873 S CA -0.460 57.688 58.200 -0.086 0.000 1.088 873 S CB 0.854 64.016 63.200 -0.064 0.000 1.009 873 S HN 0.479 nan 8.310 nan 0.000 0.484 874 V N 8.140 128.015 119.914 -0.065 0.000 2.334 874 V HA 0.412 4.531 4.120 -0.002 0.000 0.281 874 V C -2.329 173.645 176.094 -0.200 0.000 1.016 874 V CA -1.971 60.249 62.300 -0.132 0.000 0.832 874 V CB 1.246 32.996 31.823 -0.122 0.000 0.999 874 V HN 0.720 nan 8.190 nan 0.000 0.439 875 P HA 0.341 nan 4.420 nan 0.000 0.275 875 P C -1.374 175.738 177.300 -0.313 0.000 1.227 875 P CA -0.077 62.935 63.100 -0.146 0.000 0.781 875 P CB 0.300 31.961 31.700 -0.064 0.000 0.906 876 Y N 0.808 121.135 120.300 0.045 0.000 2.354 876 Y HA 0.333 4.883 4.550 -0.002 0.000 0.330 876 Y C -0.081 175.804 175.900 -0.025 0.000 1.011 876 Y CA -1.043 57.060 58.100 0.006 0.000 1.099 876 Y CB 1.705 40.150 38.460 -0.024 0.000 1.179 876 Y HN 0.130 nan 8.280 nan 0.000 0.442 877 V N 4.330 124.301 119.914 0.095 0.000 2.394 877 V HA 0.840 4.959 4.120 -0.002 0.000 0.282 877 V C -0.241 175.813 176.094 -0.066 0.000 1.031 877 V CA -0.609 61.692 62.300 0.002 0.000 0.881 877 V CB 0.830 32.605 31.823 -0.080 0.000 0.982 877 V HN 0.681 nan 8.190 nan 0.000 0.451 878 I N 2.191 122.722 120.570 -0.066 0.000 3.095 878 I HA 0.907 5.076 4.170 -0.002 0.000 0.310 878 I C -1.267 174.855 176.117 0.008 0.000 1.196 878 I CA -1.249 60.021 61.300 -0.051 0.000 0.985 878 I CB 2.609 40.538 38.000 -0.117 0.000 1.250 878 I HN 0.373 nan 8.210 nan 0.000 0.446 879 V N 2.396 122.359 119.914 0.082 0.000 2.462 879 V HA 0.389 4.508 4.120 -0.002 0.000 0.288 879 V C -2.505 173.670 176.094 0.135 0.000 1.020 879 V CA -1.527 60.819 62.300 0.077 0.000 0.857 879 V CB 1.454 33.275 31.823 -0.004 0.000 1.013 879 V HN 0.621 nan 8.190 nan 0.000 0.431 880 P HA 0.140 nan 4.420 nan 0.000 0.260 880 P C 0.673 177.920 177.300 -0.089 0.000 1.185 880 P CA 0.488 63.568 63.100 -0.034 0.000 0.763 880 P CB 0.592 32.300 31.700 0.015 0.000 0.776 881 L N 3.081 124.197 121.223 -0.178 0.000 2.354 881 L HA 0.124 4.463 4.340 -0.002 0.000 0.212 881 L C 1.146 177.960 176.870 -0.092 0.000 1.091 881 L CA 0.815 55.596 54.840 -0.099 0.000 0.828 881 L CB -0.304 41.703 42.059 -0.087 0.000 0.973 881 L HN 0.376 nan 8.230 nan 0.000 0.461 882 K N -0.695 119.611 120.400 -0.157 0.000 2.482 882 K HA 0.480 4.799 4.320 -0.002 0.000 0.257 882 K C -0.224 176.302 176.600 -0.122 0.000 0.969 882 K CA -0.739 55.479 56.287 -0.114 0.000 0.842 882 K CB 1.549 33.985 32.500 -0.107 0.000 1.359 882 K HN -0.132 nan 8.250 nan 0.000 0.441 883 T N -1.344 113.166 114.554 -0.073 0.000 2.715 883 T HA 0.571 4.920 4.350 -0.002 0.000 0.320 883 T C 0.825 175.486 174.700 -0.064 0.000 1.046 883 T CA 0.207 62.276 62.100 -0.053 0.000 0.983 883 T CB 0.098 68.950 68.868 -0.026 0.000 1.183 883 T HN 1.329 nan 8.240 nan 0.000 0.522 884 G N -0.518 108.257 108.800 -0.040 0.000 2.796 884 G HA2 0.033 3.992 3.960 -0.002 0.000 0.571 884 G HA3 0.033 3.992 3.960 -0.002 0.000 0.571 884 G C -0.774 174.101 174.900 -0.042 0.000 1.370 884 G CA -0.403 44.673 45.100 -0.039 0.000 0.856 884 G HN 1.239 nan 8.290 nan 0.000 0.538 885 L N 1.025 122.228 121.223 -0.033 0.000 2.385 885 L HA 0.492 4.831 4.340 -0.002 0.000 0.281 885 L C 0.610 177.473 176.870 -0.012 0.000 1.106 885 L CA 0.100 54.925 54.840 -0.024 0.000 0.856 885 L CB 0.612 42.657 42.059 -0.023 0.000 1.186 885 L HN 0.632 nan 8.230 nan 0.000 0.453 886 Q N 3.572 123.382 119.800 0.016 0.000 2.240 886 Q HA 0.402 4.741 4.340 -0.002 0.000 0.260 886 Q C -0.897 175.197 176.000 0.157 0.000 1.018 886 Q CA -0.543 55.291 55.803 0.050 0.000 0.898 886 Q CB 1.848 30.547 28.738 -0.066 0.000 1.301 886 Q HN 0.657 nan 8.270 nan 0.000 0.469 887 E N 0.445 120.766 120.200 0.203 0.000 2.171 887 E HA 0.506 4.855 4.350 -0.002 0.000 0.271 887 E C -1.403 175.297 176.600 0.166 0.000 0.916 887 E CA -0.531 55.962 56.400 0.155 0.000 0.774 887 E CB 1.449 31.205 29.700 0.093 0.000 1.128 887 E HN 0.218 nan 8.360 nan 0.000 0.403 888 V N 4.079 124.016 119.914 0.039 0.000 2.540 888 V HA 0.416 4.535 4.120 -0.002 0.000 0.302 888 V C -0.643 175.416 176.094 -0.058 0.000 1.035 888 V CA -0.645 61.593 62.300 -0.102 0.000 0.873 888 V CB 1.765 33.455 31.823 -0.222 0.000 0.992 888 V HN 0.773 nan 8.190 nan 0.000 0.428 889 E N 3.154 123.304 120.200 -0.083 0.000 2.278 889 E HA 0.656 5.005 4.350 -0.002 0.000 0.272 889 E C -1.626 174.930 176.600 -0.074 0.000 0.890 889 E CA -0.563 55.815 56.400 -0.038 0.000 0.770 889 E CB 2.285 31.986 29.700 0.001 0.000 1.212 889 E HN 0.610 nan 8.360 nan 0.000 0.415 890 V N 1.153 121.040 119.914 -0.045 0.000 2.531 890 V HA 0.656 4.775 4.120 -0.002 0.000 0.301 890 V C -0.670 175.443 176.094 0.031 0.000 1.034 890 V CA -0.864 61.411 62.300 -0.043 0.000 0.865 890 V CB 1.444 33.232 31.823 -0.058 0.000 0.995 890 V HN 0.546 nan 8.190 nan 0.000 0.424 891 K N 2.996 123.426 120.400 0.050 0.000 2.221 891 K HA 0.976 5.295 4.320 -0.002 0.000 0.243 891 K C -0.565 176.104 176.600 0.115 0.000 0.968 891 K CA -0.563 55.772 56.287 0.079 0.000 0.846 891 K CB 2.435 34.974 32.500 0.064 0.000 1.141 891 K HN 1.158 nan 8.250 nan 0.000 0.434 892 A N 0.630 123.539 122.820 0.149 0.000 2.566 892 A HA 0.771 5.090 4.320 -0.002 0.000 0.297 892 A C -1.870 175.848 177.584 0.225 0.000 1.059 892 A CA -0.642 51.516 52.037 0.203 0.000 0.691 892 A CB 1.809 20.987 19.000 0.297 0.000 1.282 892 A HN 0.678 nan 8.150 nan 0.000 0.401 893 A N 0.711 123.609 122.820 0.129 0.000 2.486 893 A HA 0.791 5.110 4.320 -0.002 0.000 0.300 893 A C -0.230 177.316 177.584 -0.063 0.000 1.048 893 A CA -0.031 52.035 52.037 0.048 0.000 0.696 893 A CB 1.159 20.149 19.000 -0.016 0.000 1.278 893 A HN 2.289 nan 8.150 nan 0.000 0.405 894 V N -0.158 119.691 119.914 -0.108 0.000 2.644 894 V HA 0.674 4.793 4.120 -0.002 0.000 0.295 894 V C -0.457 175.619 176.094 -0.031 0.000 1.053 894 V CA -0.733 61.508 62.300 -0.098 0.000 0.987 894 V CB 0.434 32.131 31.823 -0.210 0.000 1.006 894 V HN 0.682 nan 8.190 nan 0.000 0.472 895 Y N 2.851 123.133 120.300 -0.031 0.000 2.336 895 Y HA 0.369 4.918 4.550 -0.001 0.000 0.331 895 Y C 1.249 177.125 175.900 -0.041 0.000 1.211 895 Y CA 1.187 59.186 58.100 -0.168 0.000 1.346 895 Y CB 0.162 38.437 38.460 -0.310 0.000 1.271 895 Y HN 1.034 nan 8.280 nan 0.000 0.538 896 H N -1.179 117.972 119.070 0.136 0.000 3.047 896 H HA -0.222 4.332 4.556 -0.002 0.000 0.263 896 H C -1.002 174.112 175.328 -0.358 0.000 1.168 896 H CA 1.115 57.114 56.048 -0.081 0.000 1.152 896 H CB -2.036 27.665 29.762 -0.102 0.000 1.278 896 H HN 0.698 nan 8.280 nan 0.000 0.339 897 H N -2.093 117.028 119.070 0.085 0.000 3.016 897 H HA 0.312 4.867 4.556 -0.002 0.000 0.362 897 H C -0.623 174.822 175.328 0.195 0.000 1.233 897 H CA -0.914 55.183 56.048 0.082 0.000 1.124 897 H CB 0.611 30.416 29.762 0.072 0.000 1.850 897 H HN -0.012 nan 8.280 nan 0.000 0.549 898 F N 2.198 122.241 119.950 0.155 0.000 2.913 898 F HA 0.225 4.751 4.527 -0.002 0.000 0.306 898 F C -0.575 175.287 175.800 0.103 0.000 1.205 898 F CA -0.273 57.784 58.000 0.095 0.000 1.359 898 F CB -0.731 38.316 39.000 0.079 0.000 1.260 898 F HN 0.255 nan 8.300 nan 0.000 0.545 899 I N 0.141 120.870 120.570 0.264 0.000 2.569 899 I HA 0.446 4.615 4.170 -0.002 0.000 0.296 899 I C 0.086 176.301 176.117 0.164 0.000 1.028 899 I CA -0.561 60.850 61.300 0.186 0.000 1.082 899 I CB 1.627 39.697 38.000 0.117 0.000 1.264 899 I HN 0.132 nan 8.210 nan 0.000 0.429 900 S N 3.622 119.465 115.700 0.238 0.000 2.595 900 S HA 0.754 5.223 4.470 -0.002 0.000 0.270 900 S C -1.735 173.040 174.600 0.291 0.000 1.145 900 S CA -0.770 57.593 58.200 0.271 0.000 0.825 900 S CB 3.087 66.369 63.200 0.136 0.000 1.107 900 S HN 0.587 nan 8.310 nan 0.000 0.461 901 D N -1.347 119.208 120.400 0.258 0.000 2.648 901 D HA 0.702 5.340 4.640 -0.002 0.000 0.244 901 D C -0.650 175.720 176.300 0.116 0.000 1.244 901 D CA 0.287 54.377 54.000 0.150 0.000 0.772 901 D CB 1.822 42.663 40.800 0.068 0.000 1.379 901 D HN 1.057 nan 8.370 nan 0.000 0.428 902 G N -0.087 108.774 108.800 0.102 0.000 2.659 902 G HA2 0.605 4.564 3.960 -0.002 0.000 0.296 902 G HA3 0.605 4.564 3.960 -0.002 0.000 0.296 902 G C -1.596 173.377 174.900 0.123 0.000 1.369 902 G CA -0.532 44.625 45.100 0.095 0.000 0.937 902 G HN 0.387 nan 8.290 nan 0.000 0.485 903 V N 0.808 120.792 119.914 0.117 0.000 2.638 903 V HA 0.658 4.777 4.120 -0.002 0.000 0.306 903 V C -0.189 175.993 176.094 0.147 0.000 1.052 903 V CA -0.870 61.533 62.300 0.172 0.000 0.885 903 V CB 1.953 33.838 31.823 0.103 0.000 0.999 903 V HN 0.779 nan 8.190 nan 0.000 0.424 904 R N 3.863 124.500 120.500 0.228 0.000 2.467 904 R HA 0.551 4.890 4.340 -0.002 0.000 0.299 904 R C -0.833 175.600 176.300 0.222 0.000 1.120 904 R CA -0.478 55.714 56.100 0.153 0.000 0.940 904 R CB 1.018 31.369 30.300 0.086 0.000 1.161 904 R HN 0.735 nan 8.270 nan 0.000 0.506 905 K N 1.168 121.662 120.400 0.156 0.000 2.352 905 K HA 0.509 4.828 4.320 -0.002 0.000 0.240 905 K C -0.818 175.835 176.600 0.088 0.000 1.017 905 K CA -0.949 55.431 56.287 0.155 0.000 0.851 905 K CB 2.322 34.886 32.500 0.107 0.000 1.261 905 K HN 0.329 nan 8.250 nan 0.000 0.451 906 S N 1.626 117.373 115.700 0.078 0.000 2.482 906 S HA 0.497 4.966 4.470 -0.002 0.000 0.303 906 S C -0.777 173.841 174.600 0.030 0.000 1.091 906 S CA -0.963 57.270 58.200 0.056 0.000 1.057 906 S CB 0.662 63.887 63.200 0.041 0.000 1.031 906 S HN 0.511 nan 8.310 nan 0.000 0.485 907 L N 0.360 121.611 121.223 0.048 0.000 2.362 907 L HA 0.708 5.046 4.340 -0.002 0.000 0.271 907 L C -0.754 176.118 176.870 0.004 0.000 1.002 907 L CA -0.991 53.860 54.840 0.018 0.000 0.818 907 L CB 1.278 43.372 42.059 0.058 0.000 1.298 907 L HN 0.337 nan 8.230 nan 0.000 0.420 908 K N 2.292 122.643 120.400 -0.081 0.000 2.237 908 K HA 0.467 4.786 4.320 -0.002 0.000 0.270 908 K C -0.890 175.701 176.600 -0.015 0.000 1.015 908 K CA -0.604 55.634 56.287 -0.081 0.000 0.949 908 K CB 1.982 34.368 32.500 -0.189 0.000 0.976 908 K HN 0.509 nan 8.250 nan 0.000 0.472 909 V N 3.645 123.555 119.914 -0.005 0.000 2.289 909 V HA 0.098 4.217 4.120 -0.002 0.000 0.272 909 V C -0.329 175.782 176.094 0.030 0.000 1.026 909 V CA -0.903 61.404 62.300 0.012 0.000 0.807 909 V CB 1.135 32.942 31.823 -0.026 0.000 1.044 909 V HN 0.467 nan 8.190 nan 0.000 0.443 910 V N 7.243 127.192 119.914 0.057 0.000 2.555 910 V HA 0.222 4.341 4.120 -0.002 0.000 0.286 910 V C -1.885 174.272 176.094 0.104 0.000 1.044 910 V CA -1.524 60.836 62.300 0.100 0.000 1.026 910 V CB 1.161 33.040 31.823 0.093 0.000 0.981 910 V HN 0.621 nan 8.190 nan 0.000 0.480 911 P HA 0.025 nan 4.420 nan 0.000 0.267 911 P C -0.083 177.295 177.300 0.131 0.000 1.201 911 P CA -0.083 63.107 63.100 0.150 0.000 0.775 911 P CB 0.470 32.294 31.700 0.207 0.000 0.854 912 E N 1.029 121.281 120.200 0.087 0.000 2.384 912 E HA 0.362 4.711 4.350 -0.002 0.000 0.266 912 E C 0.580 177.212 176.600 0.053 0.000 1.012 912 E CA 0.282 56.715 56.400 0.055 0.000 0.901 912 E CB -0.125 29.603 29.700 0.047 0.000 0.967 912 E HN 0.646 nan 8.360 nan 0.000 0.435 913 G N 3.657 112.459 108.800 0.003 0.000 2.295 913 G HA2 0.059 4.018 3.960 -0.002 0.000 0.155 913 G HA3 0.059 4.018 3.960 -0.002 0.000 0.155 913 G C -1.269 173.572 174.900 -0.100 0.000 1.307 913 G CA -0.292 44.792 45.100 -0.026 0.000 1.140 913 G HN 0.701 nan 8.290 nan 0.000 0.470 914 I N -0.043 120.423 120.570 -0.173 0.000 2.743 914 I HA 0.521 4.689 4.170 -0.002 0.000 0.292 914 I C -0.816 175.115 176.117 -0.310 0.000 1.343 914 I CA -1.050 60.124 61.300 -0.211 0.000 1.038 914 I CB 1.868 39.789 38.000 -0.133 0.000 1.311 914 I HN 0.476 nan 8.210 nan 0.000 0.426 915 R N 7.578 127.898 120.500 -0.299 0.000 2.343 915 R HA 0.375 4.714 4.340 -0.002 0.000 0.326 915 R C -0.570 175.611 176.300 -0.198 0.000 1.055 915 R CA 0.060 56.004 56.100 -0.261 0.000 0.961 915 R CB 0.217 30.413 30.300 -0.173 0.000 0.978 915 R HN 0.558 nan 8.270 nan 0.000 0.443 916 M N 2.019 121.456 119.600 -0.272 0.000 2.821 916 M HA 0.377 4.856 4.480 -0.002 0.000 0.304 916 M C 0.013 176.276 176.300 -0.061 0.000 1.233 916 M CA -0.848 54.322 55.300 -0.216 0.000 0.851 916 M CB 1.953 34.326 32.600 -0.378 0.000 1.723 916 M HN 0.450 nan 8.290 nan 0.000 0.493 917 N N 0.517 119.254 118.700 0.062 0.000 2.812 917 N HA 0.237 4.976 4.740 -0.002 0.000 0.262 917 N C -1.864 173.731 175.510 0.142 0.000 1.241 917 N CA -0.563 52.570 53.050 0.137 0.000 0.854 917 N CB 0.854 39.387 38.487 0.077 0.000 1.506 917 N HN 0.492 nan 8.380 nan 0.000 0.576 918 K N 0.929 121.442 120.400 0.189 0.000 2.258 918 K HA 0.309 4.628 4.320 -0.002 0.000 0.284 918 K C -0.220 176.427 176.600 0.079 0.000 1.051 918 K CA -0.315 56.045 56.287 0.121 0.000 0.923 918 K CB 1.124 33.689 32.500 0.108 0.000 1.046 918 K HN 0.363 nan 8.250 nan 0.000 0.474 919 T N 3.091 117.680 114.554 0.057 0.000 2.776 919 T HA 0.023 4.372 4.350 -0.002 0.000 0.292 919 T C 1.720 176.441 174.700 0.034 0.000 0.921 919 T CA -0.361 61.766 62.100 0.044 0.000 1.038 919 T CB 0.421 69.310 68.868 0.034 0.000 0.910 919 T HN 0.292 nan 8.240 nan 0.000 0.536 920 V N 2.466 122.402 119.914 0.036 0.000 2.233 920 V HA 0.025 4.144 4.120 -0.002 0.000 0.247 920 V C 1.268 177.365 176.094 0.004 0.000 1.050 920 V CA 1.946 64.258 62.300 0.019 0.000 1.010 920 V CB -0.614 31.227 31.823 0.030 0.000 0.637 920 V HN 1.006 nan 8.190 nan 0.000 0.444 921 A N -1.284 121.542 122.820 0.010 0.000 2.601 921 A HA 0.661 4.980 4.320 -0.002 0.000 0.291 921 A C -1.259 176.330 177.584 0.010 0.000 1.075 921 A CA 0.178 52.214 52.037 -0.002 0.000 0.671 921 A CB 1.890 20.873 19.000 -0.028 0.000 1.277 921 A HN 0.866 nan 8.150 nan 0.000 0.417 922 V N -0.435 119.482 119.914 0.005 0.000 2.538 922 V HA 0.613 4.732 4.120 -0.002 0.000 0.265 922 V C -0.528 175.569 176.094 0.004 0.000 0.977 922 V CA -1.013 61.292 62.300 0.009 0.000 0.852 922 V CB 0.544 32.373 31.823 0.011 0.000 1.058 922 V HN 0.787 nan 8.190 nan 0.000 0.462 923 R N 1.494 121.997 120.500 0.004 0.000 2.543 923 R HA 0.705 5.044 4.340 -0.002 0.000 0.268 923 R C 0.066 176.370 176.300 0.006 0.000 1.067 923 R CA -0.460 55.640 56.100 0.000 0.000 1.142 923 R CB 1.040 31.337 30.300 -0.006 0.000 1.110 923 R HN 0.671 nan 8.270 nan 0.000 0.549 924 T N 2.200 116.758 114.554 0.006 0.000 2.770 924 T HA 0.434 4.783 4.350 -0.002 0.000 0.283 924 T C 0.171 174.878 174.700 0.011 0.000 0.988 924 T CA -0.613 61.493 62.100 0.009 0.000 0.957 924 T CB 0.777 69.651 68.868 0.010 0.000 0.930 924 T HN 0.181 nan 8.240 nan 0.000 0.443 925 L N 4.872 126.102 121.223 0.012 0.000 2.265 925 L HA 0.508 4.847 4.340 -0.002 0.000 0.288 925 L C -0.312 176.568 176.870 0.016 0.000 1.058 925 L CA -0.479 54.369 54.840 0.014 0.000 0.809 925 L CB 0.412 42.479 42.059 0.014 0.000 1.179 925 L HN 0.771 nan 8.230 nan 0.000 0.429 926 D N 2.493 122.903 120.400 0.017 0.000 2.914 926 D HA 0.165 4.803 4.640 -0.002 0.000 0.236 926 D C -2.843 173.469 176.300 0.020 0.000 1.405 926 D CA -1.192 52.821 54.000 0.020 0.000 0.900 926 D CB 0.420 41.233 40.800 0.023 0.000 1.518 926 D HN 0.083 nan 8.370 nan 0.000 0.548 927 P HA 0.062 nan 4.420 nan 0.000 0.267 927 P C 0.594 177.907 177.300 0.022 0.000 1.201 927 P CA 0.610 63.721 63.100 0.019 0.000 0.775 927 P CB 0.673 32.384 31.700 0.019 0.000 0.854 928 E N -1.139 119.073 120.200 0.021 0.000 4.046 928 E HA -0.316 4.033 4.350 -0.002 0.000 0.164 928 E C 1.597 178.210 176.600 0.022 0.000 1.057 928 E CA 1.129 57.543 56.400 0.023 0.000 2.636 928 E CB -1.390 28.326 29.700 0.027 0.000 1.615 928 E HN 0.466 nan 8.360 nan 0.000 0.566 929 R N 1.349 121.863 120.500 0.023 0.000 2.066 929 R HA 0.022 4.361 4.340 -0.002 0.000 0.232 929 R C 1.879 178.189 176.300 0.018 0.000 1.131 929 R CA 1.881 57.994 56.100 0.022 0.000 0.955 929 R CB 0.064 30.378 30.300 0.023 0.000 0.851 929 R HN 0.321 nan 8.270 nan 0.000 0.432 930 L N 0.004 121.236 121.223 0.016 0.000 3.122 930 L HA 0.379 4.718 4.340 -0.002 0.000 0.274 930 L C 0.743 177.619 176.870 0.011 0.000 1.222 930 L CA -0.447 54.401 54.840 0.012 0.000 1.028 930 L CB 1.353 43.418 42.059 0.010 0.000 1.386 930 L HN 0.242 nan 8.230 nan 0.000 0.578 931 G N 1.126 109.934 108.800 0.013 0.000 2.695 931 G HA2 0.676 4.635 3.960 -0.002 0.000 0.213 931 G HA3 0.676 4.635 3.960 -0.002 0.000 0.213 931 G C -0.489 174.418 174.900 0.012 0.000 1.406 931 G CA -0.457 44.651 45.100 0.013 0.000 1.049 931 G HN 0.305 nan 8.290 nan 0.000 0.573 932 R N -1.821 118.687 120.500 0.012 0.000 2.937 932 R HA 0.340 4.679 4.340 -0.002 0.000 0.273 932 R C -0.840 175.467 176.300 0.012 0.000 1.176 932 R CA -0.608 55.499 56.100 0.012 0.000 1.132 932 R CB 0.531 30.837 30.300 0.009 0.000 1.270 932 R HN 0.463 nan 8.270 nan 0.000 0.425 933 E N 0.963 121.171 120.200 0.013 0.000 3.370 933 E HA -0.245 4.103 4.350 -0.002 0.000 0.291 933 E C 1.026 177.635 176.600 0.015 0.000 0.916 933 E CA 2.349 58.757 56.400 0.013 0.000 0.981 933 E CB -1.308 28.399 29.700 0.012 0.000 1.498 933 E HN 1.293 nan 8.360 nan 0.000 0.452 934 G N -2.289 106.521 108.800 0.016 0.000 2.195 934 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.224 934 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.224 934 G C 0.356 175.266 174.900 0.017 0.000 0.990 934 G CA 0.463 45.573 45.100 0.017 0.000 0.639 934 G HN 1.118 nan 8.290 nan 0.000 0.514 935 V N -2.171 117.752 119.914 0.015 0.000 2.881 935 V HA 0.906 5.025 4.120 -0.002 0.000 0.316 935 V C -0.317 175.785 176.094 0.013 0.000 1.070 935 V CA -0.425 61.883 62.300 0.015 0.000 0.976 935 V CB 1.968 33.799 31.823 0.014 0.000 1.038 935 V HN 0.649 nan 8.190 nan 0.000 0.446 936 Q N 1.590 121.398 119.800 0.014 0.000 2.269 936 Q HA 0.475 4.814 4.340 -0.002 0.000 0.263 936 Q C -1.276 174.730 176.000 0.011 0.000 0.983 936 Q CA -0.622 55.188 55.803 0.011 0.000 0.777 936 Q CB 1.972 30.718 28.738 0.012 0.000 1.273 936 Q HN 0.895 nan 8.270 nan 0.000 0.440 937 K N 2.300 122.704 120.400 0.006 0.000 2.118 937 K HA 0.446 4.765 4.320 -0.002 0.000 0.267 937 K C -0.759 175.837 176.600 -0.008 0.000 0.991 937 K CA -0.654 55.634 56.287 0.002 0.000 0.916 937 K CB 1.316 33.816 32.500 -0.000 0.000 1.041 937 K HN 0.395 nan 8.250 nan 0.000 0.455 938 E N 2.020 122.210 120.200 -0.016 0.000 2.378 938 E HA 0.146 4.495 4.350 -0.002 0.000 0.282 938 E C -1.734 174.820 176.600 -0.077 0.000 0.910 938 E CA -0.421 55.956 56.400 -0.037 0.000 0.816 938 E CB 0.700 30.385 29.700 -0.026 0.000 1.359 938 E HN 0.370 nan 8.360 nan 0.000 0.397 939 D N 3.210 123.555 120.400 -0.092 0.000 2.304 939 D HA 0.373 5.012 4.640 -0.002 0.000 0.247 939 D C 0.035 176.210 176.300 -0.210 0.000 1.089 939 D CA 0.110 54.025 54.000 -0.142 0.000 0.910 939 D CB 0.970 41.711 40.800 -0.099 0.000 1.199 939 D HN 0.410 nan 8.370 nan 0.000 0.426 940 I N 2.512 122.875 120.570 -0.345 0.000 2.476 940 I HA 0.195 4.364 4.170 -0.002 0.000 0.281 940 I C -2.380 173.546 176.117 -0.318 0.000 1.040 940 I CA -2.037 59.021 61.300 -0.403 0.000 1.094 940 I CB 1.974 39.523 38.000 -0.751 0.000 1.219 940 I HN -0.040 nan 8.210 nan 0.000 0.450 941 P HA 0.132 nan 4.420 nan 0.000 0.266 941 P C -2.401 174.849 177.300 -0.084 0.000 1.195 941 P CA -0.707 62.329 63.100 -0.108 0.000 0.768 941 P CB -0.201 31.455 31.700 -0.074 0.000 0.838 942 P HA 0.074 nan 4.420 nan 0.000 0.268 942 P C -0.348 176.938 177.300 -0.024 0.000 1.208 942 P CA 0.048 63.139 63.100 -0.015 0.000 0.777 942 P CB 0.316 32.009 31.700 -0.012 0.000 0.875 943 A N 1.773 124.582 122.820 -0.018 0.000 2.466 943 A HA 0.015 4.333 4.320 -0.002 0.000 0.238 943 A C 1.395 178.930 177.584 -0.082 0.000 1.074 943 A CA 0.155 52.162 52.037 -0.049 0.000 0.774 943 A CB -0.197 18.763 19.000 -0.066 0.000 1.015 943 A HN 0.594 nan 8.150 nan 0.000 0.498 944 D N 0.077 120.420 120.400 -0.095 0.000 2.083 944 D HA -0.118 4.520 4.640 -0.002 0.000 0.199 944 D C 1.087 177.294 176.300 -0.156 0.000 0.980 944 D CA 1.821 55.764 54.000 -0.096 0.000 0.851 944 D CB -0.330 40.431 40.800 -0.064 0.000 0.997 944 D HN 0.635 nan 8.370 nan 0.000 0.449 945 L N 0.032 121.084 121.223 -0.286 0.000 3.976 945 L HA -0.288 4.051 4.340 -0.002 0.000 0.418 945 L C 1.542 178.303 176.870 -0.181 0.000 1.177 945 L CA 0.429 55.002 54.840 -0.445 0.000 0.968 945 L CB -2.369 39.420 42.059 -0.450 0.000 1.933 945 L HN 0.141 nan 8.230 nan 0.000 0.976 946 S N -0.651 114.996 115.700 -0.087 0.000 2.406 946 S HA -0.111 4.358 4.470 -0.002 0.000 0.228 946 S C 1.222 175.834 174.600 0.020 0.000 1.020 946 S CA 0.957 59.142 58.200 -0.026 0.000 0.965 946 S CB -0.113 63.080 63.200 -0.013 0.000 0.798 946 S HN 0.695 nan 8.310 nan 0.000 0.488 947 D N 0.769 121.208 120.400 0.064 0.000 2.460 947 D HA 0.095 4.734 4.640 -0.002 0.000 0.229 947 D C 0.378 176.800 176.300 0.204 0.000 1.170 947 D CA -0.352 53.719 54.000 0.118 0.000 0.827 947 D CB -0.575 40.301 40.800 0.126 0.000 0.973 947 D HN 0.570 nan 8.370 nan 0.000 0.496 948 Q N 0.534 120.451 119.800 0.196 0.000 2.392 948 Q HA 0.164 4.503 4.340 -0.002 0.000 0.262 948 Q C -0.423 175.686 176.000 0.181 0.000 1.003 948 Q CA -0.445 55.536 55.803 0.296 0.000 0.888 948 Q CB 1.220 30.058 28.738 0.166 0.000 1.260 948 Q HN -0.015 nan 8.270 nan 0.000 0.435 949 V N 6.140 126.166 119.914 0.186 0.000 2.572 949 V HA 0.129 4.247 4.120 -0.002 0.000 0.291 949 V C -2.031 174.110 176.094 0.078 0.000 1.039 949 V CA -1.247 61.122 62.300 0.116 0.000 1.055 949 V CB 0.635 32.533 31.823 0.125 0.000 0.969 949 V HN 0.838 nan 8.190 nan 0.000 0.482 950 P HA 0.034 nan 4.420 nan 0.000 0.264 950 P C 0.135 177.442 177.300 0.011 0.000 1.183 950 P CA 0.459 63.573 63.100 0.024 0.000 0.763 950 P CB 0.154 31.863 31.700 0.016 0.000 0.807 951 D N 0.889 121.286 120.400 -0.006 0.000 2.705 951 D HA -0.142 4.497 4.640 -0.002 0.000 0.240 951 D C -0.907 175.376 176.300 -0.028 0.000 1.137 951 D CA 1.416 55.403 54.000 -0.021 0.000 0.677 951 D CB -1.348 39.438 40.800 -0.025 0.000 1.049 951 D HN 0.473 nan 8.370 nan 0.000 0.427 952 T N -1.441 113.092 114.554 -0.034 0.000 2.933 952 T HA 0.657 5.006 4.350 -0.002 0.000 0.305 952 T C 0.108 174.757 174.700 -0.086 0.000 1.092 952 T CA -0.877 61.171 62.100 -0.088 0.000 1.008 952 T CB 2.014 70.815 68.868 -0.112 0.000 1.102 952 T HN 0.131 nan 8.240 nan 0.000 0.469 953 E N 1.583 121.707 120.200 -0.126 0.000 2.376 953 E HA 0.672 5.021 4.350 -0.002 0.000 0.254 953 E C -0.292 176.274 176.600 -0.058 0.000 1.213 953 E CA -0.800 55.552 56.400 -0.080 0.000 0.945 953 E CB 0.352 30.008 29.700 -0.074 0.000 1.057 953 E HN 1.020 nan 8.360 nan 0.000 0.479 954 S N -1.352 114.341 115.700 -0.011 0.000 2.570 954 S HA 0.382 4.850 4.470 -0.002 0.000 0.286 954 S C -1.344 173.274 174.600 0.029 0.000 1.143 954 S CA -1.096 57.130 58.200 0.043 0.000 0.921 954 S CB 0.520 63.769 63.200 0.081 0.000 1.108 954 S HN 0.746 nan 8.310 nan 0.000 0.456 955 E N 1.140 121.367 120.200 0.045 0.000 2.199 955 E HA 0.661 5.010 4.350 -0.002 0.000 0.269 955 E C -1.108 175.513 176.600 0.035 0.000 0.899 955 E CA -0.831 55.584 56.400 0.025 0.000 0.772 955 E CB 1.784 31.494 29.700 0.017 0.000 1.155 955 E HN 0.453 nan 8.360 nan 0.000 0.408 956 T N 2.982 117.545 114.554 0.015 0.000 2.767 956 T HA 0.240 4.589 4.350 -0.002 0.000 0.288 956 T C -0.255 174.443 174.700 -0.004 0.000 0.963 956 T CA -0.603 61.511 62.100 0.023 0.000 1.019 956 T CB 0.589 69.478 68.868 0.035 0.000 0.923 956 T HN 0.407 nan 8.240 nan 0.000 0.468 957 R N 4.617 125.127 120.500 0.017 0.000 2.369 957 R HA 0.354 4.693 4.340 -0.002 0.000 0.310 957 R C -0.315 175.986 176.300 0.001 0.000 1.141 957 R CA -0.467 55.633 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 0.623 nan 8.270 nan 0.000 0.529 958 I N 4.837 125.381 120.570 -0.044 0.000 2.634 958 I HA 0.148 4.317 4.170 -0.002 0.000 0.284 958 I C -0.009 176.088 176.117 -0.033 0.000 1.124 958 I CA -0.046 61.236 61.300 -0.031 0.000 1.417 958 I CB 0.901 38.807 38.000 -0.156 0.000 1.396 958 I HN 0.499 nan 8.210 nan 0.000 0.571 959 L N 7.021 128.238 121.223 -0.010 0.000 2.493 959 L HA 0.576 4.915 4.340 -0.002 0.000 0.265 959 L C -1.452 175.392 176.870 -0.043 0.000 0.954 959 L CA -0.374 54.443 54.840 -0.038 0.000 0.844 959 L CB 1.665 43.712 42.059 -0.020 0.000 1.302 959 L HN 0.525 nan 8.230 nan 0.000 0.405 960 L N 3.911 125.079 121.223 -0.092 0.000 2.301 960 L HA 0.724 5.063 4.340 -0.002 0.000 0.264 960 L C -0.941 175.880 176.870 -0.082 0.000 1.016 960 L CA -0.557 54.230 54.840 -0.088 0.000 0.821 960 L CB 2.101 44.076 42.059 -0.139 0.000 1.346 960 L HN 0.653 nan 8.230 nan 0.000 0.429 961 Q N 0.115 119.881 119.800 -0.057 0.000 2.541 961 Q HA 0.404 4.743 4.340 -0.002 0.000 0.259 961 Q C -1.247 174.731 176.000 -0.036 0.000 0.974 961 Q CA -0.562 55.212 55.803 -0.050 0.000 0.955 961 Q CB 2.003 30.716 28.738 -0.042 0.000 1.517 961 Q HN 0.781 nan 8.270 nan 0.000 0.412 962 G N 0.982 109.758 108.800 -0.039 0.000 2.415 962 G HA2 0.424 4.383 3.960 -0.002 0.000 0.269 962 G HA3 0.424 4.383 3.960 -0.002 0.000 0.269 962 G C -0.668 174.219 174.900 -0.023 0.000 1.209 962 G CA 0.025 45.109 45.100 -0.026 0.000 0.835 962 G HN 0.338 nan 8.290 nan 0.000 0.534 963 T N 3.280 117.836 114.554 0.003 0.000 2.977 963 T HA 0.580 4.929 4.350 -0.002 0.000 0.346 963 T C -2.578 172.154 174.700 0.054 0.000 1.140 963 T CA -1.619 60.490 62.100 0.015 0.000 1.040 963 T CB 1.119 69.998 68.868 0.018 0.000 1.046 963 T HN 0.306 nan 8.240 nan 0.000 0.494 964 P HA 0.510 nan 4.420 nan 0.000 0.284 964 P C 0.278 177.668 177.300 0.150 0.000 1.253 964 P CA -0.297 62.911 63.100 0.180 0.000 0.800 964 P CB 1.569 33.395 31.700 0.209 0.000 0.961 965 V N 0.105 120.115 119.914 0.159 0.000 5.168 965 V HA -0.118 4.001 4.120 -0.002 0.000 0.297 965 V C 0.114 176.307 176.094 0.165 0.000 0.866 965 V CA 0.780 63.171 62.300 0.152 0.000 1.098 965 V CB -1.590 30.314 31.823 0.135 0.000 0.682 965 V HN 0.833 nan 8.190 nan 0.000 1.427 966 A N 0.940 123.878 122.820 0.197 0.000 2.320 966 A HA 0.807 5.126 4.320 -0.002 0.000 0.287 966 A C -0.022 177.605 177.584 0.072 0.000 1.181 966 A CA 0.329 52.446 52.037 0.132 0.000 0.831 966 A CB 0.725 19.840 19.000 0.191 0.000 1.102 966 A HN 0.680 nan 8.150 nan 0.000 0.513 967 Q N 1.472 121.284 119.800 0.020 0.000 2.626 967 Q HA 0.709 5.048 4.340 -0.002 0.000 0.300 967 Q C -0.767 175.224 176.000 -0.015 0.000 0.988 967 Q CA -1.108 54.704 55.803 0.015 0.000 0.761 967 Q CB 1.416 30.170 28.738 0.027 0.000 1.494 967 Q HN 0.719 nan 8.270 nan 0.000 0.439 968 M N -1.039 118.567 119.600 0.009 0.000 7.319 968 M HA -0.163 4.316 4.480 -0.002 0.000 0.154 968 M C -0.808 175.504 176.300 0.021 0.000 0.480 968 M CA 1.122 56.434 55.300 0.020 0.000 1.311 968 M CB -2.469 30.132 32.600 0.002 0.000 0.421 968 M HN 0.931 nan 8.290 nan 0.000 0.583 969 T N 1.095 115.676 114.554 0.046 0.000 0.550 969 T HA -0.041 4.308 4.350 -0.002 0.000 0.773 969 T C -0.506 174.286 174.700 0.154 0.000 0.992 969 T CA 0.579 62.716 62.100 0.062 0.000 4.071 969 T CB -0.244 68.604 68.868 -0.033 0.000 2.300 969 T HN 0.542 nan 8.240 nan 0.000 0.397 970 E N 1.806 122.190 120.200 0.306 0.000 2.250 970 E HA 0.382 4.731 4.350 -0.002 0.000 0.269 970 E C -0.076 176.638 176.600 0.189 0.000 1.018 970 E CA -0.818 55.719 56.400 0.228 0.000 0.873 970 E CB 0.764 30.578 29.700 0.189 0.000 1.134 970 E HN 0.552 nan 8.360 nan 0.000 0.403 971 D N 0.622 121.096 120.400 0.124 0.000 2.424 971 D HA 0.273 4.912 4.640 -0.002 0.000 0.244 971 D C -0.197 176.184 176.300 0.134 0.000 1.134 971 D CA 0.099 54.163 54.000 0.106 0.000 0.881 971 D CB 0.799 41.645 40.800 0.078 0.000 1.191 971 D HN 0.391 nan 8.370 nan 0.000 0.445 972 A N 1.840 124.743 122.820 0.137 0.000 2.286 972 A HA 0.428 4.747 4.320 -0.002 0.000 0.286 972 A C -0.052 177.657 177.584 0.209 0.000 1.097 972 A CA -0.720 51.442 52.037 0.207 0.000 0.821 972 A CB 0.640 19.732 19.000 0.154 0.000 1.076 972 A HN 0.388 nan 8.150 nan 0.000 0.490 973 V N 2.560 122.652 119.914 0.296 0.000 2.529 973 V HA 0.016 4.135 4.120 -0.002 0.000 0.292 973 V C -0.023 176.167 176.094 0.160 0.000 1.028 973 V CA -0.135 62.281 62.300 0.194 0.000 1.074 973 V CB 0.112 32.023 31.823 0.147 0.000 0.958 973 V HN 0.822 nan 8.190 nan 0.000 0.481 974 D N 3.755 124.186 120.400 0.052 0.000 2.455 974 D HA 0.188 4.827 4.640 -0.002 0.000 0.241 974 D C 1.004 177.292 176.300 -0.020 0.000 1.138 974 D CA 0.571 54.579 54.000 0.013 0.000 0.877 974 D CB 1.409 42.200 40.800 -0.015 0.000 1.187 974 D HN 0.642 nan 8.370 nan 0.000 0.451 975 A N 2.968 125.794 122.820 0.011 0.000 2.019 975 A HA -0.201 4.118 4.320 -0.002 0.000 0.219 975 A C 1.862 179.540 177.584 0.157 0.000 1.164 975 A CA 1.341 53.402 52.037 0.040 0.000 0.644 975 A CB -0.467 18.535 19.000 0.003 0.000 0.805 975 A HN 0.736 nan 8.150 nan 0.000 0.449 976 E N -0.293 119.931 120.200 0.039 0.000 2.209 976 E HA -0.201 4.147 4.350 -0.002 0.000 0.196 976 E C 1.466 178.017 176.600 -0.082 0.000 0.993 976 E CA 0.717 57.093 56.400 -0.038 0.000 0.819 976 E CB -0.007 29.661 29.700 -0.053 0.000 0.745 976 E HN 0.362 nan 8.360 nan 0.000 0.477 977 R N -0.129 120.270 120.500 -0.168 0.000 2.313 977 R HA 0.103 4.442 4.340 -0.002 0.000 0.199 977 R C 0.661 176.828 176.300 -0.221 0.000 0.958 977 R CA 0.299 56.189 56.100 -0.350 0.000 1.047 977 R CB 0.201 29.937 30.300 -0.940 0.000 0.955 977 R HN 0.260 nan 8.270 nan 0.000 0.481 978 L N 0.445 121.614 121.223 -0.091 0.000 3.168 978 L HA 0.300 4.638 4.340 -0.002 0.000 0.277 978 L C 0.584 177.490 176.870 0.060 0.000 1.308 978 L CA -0.073 54.682 54.840 -0.141 0.000 0.976 978 L CB 0.552 42.438 42.059 -0.288 0.000 1.383 978 L HN -0.202 nan 8.230 nan 0.000 0.572 979 K N -0.106 120.357 120.400 0.104 0.000 2.437 979 K HA 0.049 4.368 4.320 -0.002 0.000 0.198 979 K C 1.021 177.684 176.600 0.105 0.000 1.024 979 K CA 0.236 56.575 56.287 0.085 0.000 1.148 979 K CB 0.102 32.536 32.500 -0.108 0.000 0.860 979 K HN 0.555 nan 8.250 nan 0.000 0.515 980 H N -3.131 115.967 119.070 0.046 0.000 3.170 980 H HA 0.212 4.767 4.556 -0.002 0.000 0.264 980 H C 1.307 176.652 175.328 0.029 0.000 1.113 980 H CA -0.334 55.733 56.048 0.033 0.000 1.194 980 H CB -0.033 29.742 29.762 0.022 0.000 1.553 980 H HN -0.034 nan 8.280 nan 0.000 0.538 981 L N 1.119 122.087 121.223 -0.425 0.000 2.552 981 L HA 0.111 4.450 4.340 -0.002 0.000 0.227 981 L C 0.101 176.914 176.870 -0.096 0.000 1.146 981 L CA 0.063 54.725 54.840 -0.296 0.000 0.858 981 L CB 0.048 41.846 42.059 -0.436 0.000 0.969 981 L HN 0.352 nan 8.230 nan 0.000 0.451 982 I N 1.564 122.122 120.570 -0.019 0.000 2.268 982 I HA 0.087 4.256 4.170 -0.002 0.000 0.298 982 I C 0.121 176.270 176.117 0.054 0.000 1.185 982 I CA 0.190 61.516 61.300 0.042 0.000 1.548 982 I CB -0.548 37.519 38.000 0.112 0.000 1.492 982 I HN -0.204 nan 8.210 nan 0.000 0.711 983 V N 4.056 123.996 119.914 0.045 0.000 2.532 983 V HA 0.305 4.424 4.120 -0.002 0.000 0.295 983 V C 0.753 176.878 176.094 0.052 0.000 1.041 983 V CA -0.580 61.752 62.300 0.054 0.000 0.926 983 V CB 1.880 33.738 31.823 0.058 0.000 0.992 983 V HN 0.559 nan 8.190 nan 0.000 0.457 984 T N 6.420 121.006 114.554 0.052 0.000 2.723 984 T HA 0.271 4.620 4.350 -0.002 0.000 0.297 984 T C -2.408 172.322 174.700 0.050 0.000 0.925 984 T CA -0.771 61.359 62.100 0.051 0.000 1.030 984 T CB 0.648 69.546 68.868 0.050 0.000 0.905 984 T HN 0.469 nan 8.240 nan 0.000 0.502 985 P HA 0.213 nan 4.420 nan 0.000 0.264 985 P C -0.598 176.735 177.300 0.054 0.000 1.193 985 P CA -0.014 63.115 63.100 0.048 0.000 0.763 985 P CB 0.408 32.141 31.700 0.054 0.000 0.810 986 S N 1.412 117.138 115.700 0.044 0.000 2.558 986 S HA 0.813 5.282 4.470 -0.002 0.000 0.277 986 S C -0.410 174.211 174.600 0.034 0.000 1.143 986 S CA -0.124 58.111 58.200 0.058 0.000 0.865 986 S CB 1.464 64.702 63.200 0.063 0.000 1.102 986 S HN 0.879 nan 8.310 nan 0.000 0.454 987 G N 0.230 109.065 108.800 0.059 0.000 2.316 987 G HA2 0.287 4.246 3.960 -0.002 0.000 0.349 987 G HA3 0.287 4.246 3.960 -0.002 0.000 0.349 987 G C 0.257 175.142 174.900 -0.026 0.000 1.274 987 G CA -0.050 45.066 45.100 0.026 0.000 1.018 987 G HN 2.188 nan 8.290 nan 0.000 0.486 988 C N -0.487 118.713 119.300 -0.166 0.000 2.825 988 C HA 0.712 5.171 4.460 -0.002 0.000 0.279 988 C C 2.594 176.824 174.990 -1.267 0.000 1.910 988 C CA 0.940 59.645 59.018 -0.521 0.000 1.960 988 C CB -0.021 27.373 27.740 -0.577 0.000 1.951 988 C HN 2.211 nan 8.230 nan 0.000 0.587 989 G N -0.493 107.294 108.800 -1.687 0.000 2.498 989 G HA2 -0.023 3.936 3.960 -0.002 0.000 0.219 989 G HA3 -0.023 3.936 3.960 -0.002 0.000 0.219 989 G C 1.368 175.920 174.900 -0.579 0.000 1.119 989 G CA 0.943 45.245 45.100 -1.330 0.000 0.766 989 G HN 0.912 nan 8.290 nan 0.000 0.552 990 E N -0.414 119.508 120.200 -0.465 0.000 2.306 990 E HA 0.059 4.407 4.350 -0.002 0.000 0.201 990 E C 2.081 178.483 176.600 -0.329 0.000 0.874 990 E CA -0.022 56.215 56.400 -0.271 0.000 0.972 990 E CB 0.188 29.817 29.700 -0.119 0.000 0.957 990 E HN 0.405 nan 8.360 nan 0.000 0.492 991 E N 1.285 121.261 120.200 -0.373 0.000 2.268 991 E HA -0.152 4.197 4.350 -0.002 0.000 0.195 991 E C 1.710 178.199 176.600 -0.185 0.000 0.995 991 E CA 0.615 56.828 56.400 -0.310 0.000 0.836 991 E CB -0.000 29.582 29.700 -0.195 0.000 0.763 991 E HN 0.050 nan 8.360 nan 0.000 0.491 992 N N 0.544 119.124 118.700 -0.200 0.000 2.171 992 N HA -0.108 4.631 4.740 -0.002 0.000 0.184 992 N C 1.621 177.105 175.510 -0.044 0.000 1.021 992 N CA 1.076 54.067 53.050 -0.099 0.000 0.854 992 N CB 0.097 38.522 38.487 -0.104 0.000 0.994 992 N HN 0.019 nan 8.380 nan 0.000 0.426 993 M N 0.247 119.812 119.600 -0.059 0.000 2.175 993 M HA 0.012 4.491 4.480 -0.002 0.000 0.264 993 M C 1.928 178.260 176.300 0.053 0.000 1.063 993 M CA 0.809 56.132 55.300 0.038 0.000 1.119 993 M CB -0.791 31.857 32.600 0.081 0.000 1.377 993 M HN 0.201 nan 8.290 nan 0.000 0.415 994 I N -0.607 119.945 120.570 -0.030 0.000 2.493 994 I HA -0.160 4.009 4.170 -0.002 0.000 0.254 994 I C 2.277 178.404 176.117 0.018 0.000 1.160 994 I CA 1.216 62.501 61.300 -0.026 0.000 1.445 994 I CB -0.770 37.158 38.000 -0.121 0.000 1.086 994 I HN 0.312 nan 8.210 nan 0.000 0.433 995 G N -0.104 108.703 108.800 0.010 0.000 2.838 995 G HA2 -0.039 3.920 3.960 -0.002 0.000 0.210 995 G HA3 -0.039 3.920 3.960 -0.002 0.000 0.210 995 G C 1.579 176.508 174.900 0.048 0.000 1.153 995 G CA -0.145 44.974 45.100 0.032 0.000 0.778 995 G HN 0.248 nan 8.290 nan 0.000 0.539 996 M N 0.281 119.914 119.600 0.055 0.000 2.501 996 M HA 0.097 4.576 4.480 -0.002 0.000 0.261 996 M C 2.246 178.592 176.300 0.078 0.000 1.129 996 M CA 0.842 56.177 55.300 0.059 0.000 1.126 996 M CB 0.099 32.733 32.600 0.056 0.000 1.359 996 M HN 0.091 nan 8.290 nan 0.000 0.471 997 T N 2.196 116.817 114.554 0.112 0.000 2.674 997 T HA -0.034 4.315 4.350 -0.002 0.000 0.265 997 T C -1.017 173.787 174.700 0.174 0.000 1.039 997 T CA 1.506 63.711 62.100 0.174 0.000 1.150 997 T CB -1.414 67.598 68.868 0.241 0.000 0.864 997 T HN 0.379 nan 8.240 nan 0.000 0.427 998 P HA -0.030 nan 4.420 nan 0.000 0.221 998 P C 1.160 178.452 177.300 -0.014 0.000 1.145 998 P CA 1.210 64.341 63.100 0.051 0.000 0.795 998 P CB -0.232 31.493 31.700 0.043 0.000 0.775 999 T N -0.765 113.802 114.554 0.021 0.000 2.939 999 T HA 0.017 4.366 4.350 -0.002 0.000 0.254 999 T C 1.978 176.690 174.700 0.020 0.000 1.041 999 T CA 0.576 62.679 62.100 0.006 0.000 1.142 999 T CB -0.685 68.201 68.868 0.029 0.000 0.874 999 T HN -0.126 nan 8.240 nan 0.000 0.452 1000 V N 1.533 121.482 119.914 0.059 0.000 2.307 1000 V HA -0.066 4.053 4.120 -0.002 0.000 0.245 1000 V C 2.287 178.441 176.094 0.100 0.000 1.045 1000 V CA 1.220 63.569 62.300 0.081 0.000 1.024 1000 V CB -0.438 31.447 31.823 0.102 0.000 0.651 1000 V HN 0.353 nan 8.190 nan 0.000 0.449 1001 I N 0.156 120.793 120.570 0.112 0.000 3.111 1001 I HA 0.015 4.184 4.170 -0.002 0.000 0.272 1001 I C 2.111 178.194 176.117 -0.056 0.000 1.268 1001 I CA 1.078 62.404 61.300 0.044 0.000 1.467 1001 I CB -0.422 37.606 38.000 0.047 0.000 1.087 1001 I HN 0.163 nan 8.210 nan 0.000 0.467 1002 A N -0.604 122.130 122.820 -0.144 0.000 1.861 1002 A HA -0.041 4.278 4.320 -0.002 0.000 0.212 1002 A C 2.265 179.727 177.584 -0.204 0.000 1.199 1002 A CA 1.483 53.337 52.037 -0.305 0.000 0.613 1002 A CB -0.986 17.806 19.000 -0.346 0.000 0.846 1002 A HN 0.190 nan 8.150 nan 0.000 0.446 1003 V N 0.196 120.081 119.914 -0.048 0.000 2.490 1003 V HA -0.287 3.832 4.120 -0.002 0.000 0.250 1003 V C 2.479 178.653 176.094 0.133 0.000 1.061 1003 V CA 2.514 64.894 62.300 0.134 0.000 1.064 1003 V CB -1.135 30.820 31.823 0.219 0.000 0.670 1003 V HN 0.866 nan 8.190 nan 0.000 0.461 1004 H N -1.038 118.042 119.070 0.017 0.000 2.423 1004 H HA -0.219 4.335 4.556 -0.002 0.000 0.297 1004 H C 2.014 177.350 175.328 0.014 0.000 1.075 1004 H CA 1.993 58.052 56.048 0.018 0.000 1.342 1004 H CB -0.184 29.578 29.762 -0.002 0.000 1.395 1004 H HN 0.522 nan 8.280 nan 0.000 0.530 1005 Y N -0.021 120.169 120.300 -0.183 0.000 2.475 1005 Y HA 0.074 4.623 4.550 -0.002 0.000 0.289 1005 Y C 1.704 177.439 175.900 -0.276 0.000 1.121 1005 Y CA 0.739 58.708 58.100 -0.220 0.000 1.257 1005 Y CB 0.188 38.575 38.460 -0.122 0.000 1.026 1005 Y HN 0.210 nan 8.280 nan 0.000 0.555 1006 L N -0.661 120.377 121.223 -0.307 0.000 2.270 1006 L HA -0.066 4.273 4.340 -0.002 0.000 0.210 1006 L C 1.439 178.168 176.870 -0.235 0.000 1.104 1006 L CA 0.682 55.185 54.840 -0.561 0.000 0.804 1006 L CB -0.312 40.925 42.059 -1.371 0.000 0.937 1006 L HN 0.074 nan 8.230 nan 0.000 0.450 1007 D N -0.023 120.380 120.400 0.006 0.000 2.224 1007 D HA -0.125 4.514 4.640 -0.002 0.000 0.205 1007 D C 2.123 178.371 176.300 -0.086 0.000 0.965 1007 D CA 0.846 54.902 54.000 0.093 0.000 0.852 1007 D CB 0.178 41.018 40.800 0.067 0.000 0.947 1007 D HN 0.265 nan 8.370 nan 0.000 0.494 1008 E N 0.060 120.110 120.200 -0.249 0.000 2.042 1008 E HA -0.053 4.296 4.350 -0.002 0.000 0.189 1008 E C 2.220 178.660 176.600 -0.267 0.000 0.974 1008 E CA 1.239 57.473 56.400 -0.276 0.000 0.806 1008 E CB -0.599 28.873 29.700 -0.380 0.000 0.769 1008 E HN 0.378 nan 8.360 nan 0.000 0.451 1009 T N -0.459 113.857 114.554 -0.396 0.000 3.072 1009 T HA -0.055 4.294 4.350 -0.002 0.000 0.266 1009 T C 0.334 174.920 174.700 -0.191 0.000 1.127 1009 T CA 0.284 62.185 62.100 -0.332 0.000 1.107 1009 T CB -0.049 68.527 68.868 -0.487 0.000 0.910 1009 T HN -0.023 nan 8.240 nan 0.000 0.513 1010 E N 1.101 121.212 120.200 -0.149 0.000 2.240 1010 E HA -0.185 4.164 4.350 -0.002 0.000 0.194 1010 E C -0.229 176.347 176.600 -0.039 0.000 1.385 1010 E CA 0.478 56.861 56.400 -0.029 0.000 0.686 1010 E CB -2.019 27.677 29.700 -0.007 0.000 1.125 1010 E HN 0.802 nan 8.360 nan 0.000 0.359 1011 Q N -1.496 118.220 119.800 -0.140 0.000 2.157 1011 Q HA 0.108 4.447 4.340 -0.002 0.000 0.229 1011 Q C 0.998 176.945 176.000 -0.087 0.000 0.827 1011 Q CA -0.290 55.447 55.803 -0.110 0.000 1.055 1011 Q CB 0.138 28.792 28.738 -0.141 0.000 1.157 1011 Q HN 0.424 nan 8.270 nan 0.000 0.482 1012 W N 1.512 122.811 121.300 -0.002 0.000 2.525 1012 W HA -0.073 4.586 4.660 -0.002 0.000 0.259 1012 W C 1.579 178.152 176.519 0.090 0.000 1.253 1012 W CA 0.710 58.081 57.345 0.043 0.000 1.262 1012 W CB 0.378 29.834 29.460 -0.007 0.000 1.122 1012 W HN 0.311 nan 8.180 nan 0.000 0.607 1013 E N 0.396 120.739 120.200 0.238 0.000 2.028 1013 E HA -0.181 4.168 4.350 -0.002 0.000 0.191 1013 E C 2.050 178.727 176.600 0.129 0.000 0.988 1013 E CA 0.973 57.467 56.400 0.157 0.000 0.799 1013 E CB -0.205 29.554 29.700 0.099 0.000 0.755 1013 E HN 0.076 nan 8.360 nan 0.000 0.447 1014 K N 0.354 120.816 120.400 0.105 0.000 2.296 1014 K HA -0.039 4.280 4.320 -0.002 0.000 0.200 1014 K C 1.829 178.476 176.600 0.079 0.000 1.048 1014 K CA 0.498 56.826 56.287 0.068 0.000 0.966 1014 K CB -0.304 32.221 32.500 0.042 0.000 0.754 1014 K HN 0.121 nan 8.250 nan 0.000 0.466 1015 F N 0.707 120.639 119.950 -0.029 0.000 2.206 1015 F HA -0.047 4.479 4.527 -0.002 0.000 0.298 1015 F C 1.471 177.285 175.800 0.023 0.000 1.090 1015 F CA 1.856 59.824 58.000 -0.054 0.000 1.323 1015 F CB 0.327 39.222 39.000 -0.175 0.000 1.028 1015 F HN 0.183 nan 8.300 nan 0.000 0.492 1016 G N -0.582 108.340 108.800 0.204 0.000 3.819 1016 G HA2 0.081 4.040 3.960 -0.002 0.000 0.210 1016 G HA3 0.081 4.040 3.960 -0.002 0.000 0.210 1016 G C -0.086 174.945 174.900 0.219 0.000 1.018 1016 G CA -0.257 44.915 45.100 0.120 0.000 0.882 1016 G HN 0.559 nan 8.290 nan 0.000 0.377 1017 L N -0.540 120.926 121.223 0.405 0.000 0.585 1017 L HA -0.008 4.331 4.340 -0.002 0.000 0.356 1017 L C 0.949 177.902 176.870 0.139 0.000 0.995 1017 L CA 2.362 57.367 54.840 0.276 0.000 1.223 1017 L CB -0.573 41.590 42.059 0.173 0.000 0.010 1017 L HN 1.886 nan 8.230 nan 0.000 0.091 1018 E N 0.322 120.533 120.200 0.019 0.000 4.584 1018 E HA -0.334 4.014 4.350 -0.002 0.000 0.282 1018 E C 1.008 177.609 176.600 0.001 0.000 0.747 1018 E CA 2.381 58.771 56.400 -0.017 0.000 1.563 1018 E CB -1.132 28.574 29.700 0.009 0.000 1.779 1018 E HN 0.734 nan 8.360 nan 0.000 0.408 1019 K N 0.125 120.583 120.400 0.096 0.000 2.439 1019 K HA 0.026 4.345 4.320 -0.002 0.000 0.197 1019 K C 2.014 178.683 176.600 0.115 0.000 1.041 1019 K CA 0.804 57.180 56.287 0.148 0.000 0.970 1019 K CB -0.089 32.576 32.500 0.275 0.000 0.773 1019 K HN 0.221 nan 8.250 nan 0.000 0.479 1020 R N 1.431 121.879 120.500 -0.085 0.000 2.096 1020 R HA -0.220 4.119 4.340 -0.002 0.000 0.235 1020 R C 2.257 178.440 176.300 -0.195 0.000 1.127 1020 R CA 1.584 57.455 56.100 -0.381 0.000 0.968 1020 R CB 0.011 29.600 30.300 -1.185 0.000 0.861 1020 R HN 0.048 nan 8.270 nan 0.000 0.440 1021 Q N -0.137 119.572 119.800 -0.153 0.000 2.135 1021 Q HA -0.094 4.244 4.340 -0.002 0.000 0.204 1021 Q C 1.735 177.711 176.000 -0.040 0.000 0.981 1021 Q CA 2.145 57.890 55.803 -0.097 0.000 0.856 1021 Q CB -0.621 28.071 28.738 -0.077 0.000 0.902 1021 Q HN 0.468 nan 8.270 nan 0.000 0.425 1022 G N -0.807 107.991 108.800 -0.003 0.000 2.484 1022 G HA2 -0.027 3.931 3.960 -0.002 0.000 0.218 1022 G HA3 -0.027 3.931 3.960 -0.002 0.000 0.218 1022 G C 1.325 176.250 174.900 0.041 0.000 1.130 1022 G CA 0.589 45.705 45.100 0.027 0.000 0.784 1022 G HN 0.486 nan 8.290 nan 0.000 0.543 1023 A N 0.257 123.107 122.820 0.051 0.000 2.021 1023 A HA 0.319 4.638 4.320 -0.002 0.000 0.216 1023 A C 2.224 179.825 177.584 0.027 0.000 1.163 1023 A CA 0.463 52.541 52.037 0.068 0.000 0.676 1023 A CB -0.147 18.936 19.000 0.138 0.000 0.818 1023 A HN 0.265 nan 8.150 nan 0.000 0.453 1024 L N 0.139 121.356 121.223 -0.010 0.000 2.072 1024 L HA -0.109 4.230 4.340 -0.002 0.000 0.205 1024 L C 2.244 179.100 176.870 -0.023 0.000 1.079 1024 L CA 1.784 56.605 54.840 -0.033 0.000 0.752 1024 L CB -1.426 40.593 42.059 -0.067 0.000 0.906 1024 L HN 0.527 nan 8.230 nan 0.000 0.436 1025 E N -0.256 119.937 120.200 -0.012 0.000 2.265 1025 E HA -0.191 4.158 4.350 -0.002 0.000 0.196 1025 E C 2.300 178.910 176.600 0.017 0.000 0.996 1025 E CA 0.646 57.046 56.400 0.000 0.000 0.832 1025 E CB 0.022 29.724 29.700 0.004 0.000 0.756 1025 E HN 0.467 nan 8.360 nan 0.000 0.491 1026 L N 0.384 121.620 121.223 0.022 0.000 2.131 1026 L HA -0.098 4.241 4.340 -0.002 0.000 0.206 1026 L C 2.360 179.249 176.870 0.031 0.000 1.087 1026 L CA 0.720 55.581 54.840 0.034 0.000 0.767 1026 L CB -0.266 41.817 42.059 0.040 0.000 0.917 1026 L HN 0.150 nan 8.230 nan 0.000 0.441 1027 I N -0.055 120.523 120.570 0.012 0.000 2.252 1027 I HA -0.259 3.910 4.170 -0.002 0.000 0.245 1027 I C 2.425 178.543 176.117 0.001 0.000 1.102 1027 I CA 1.346 62.642 61.300 -0.007 0.000 1.385 1027 I CB -0.283 37.694 38.000 -0.039 0.000 1.064 1027 I HN 0.224 nan 8.210 nan 0.000 0.414 1028 K N 0.918 121.316 120.400 -0.004 0.000 2.097 1028 K HA -0.185 4.133 4.320 -0.002 0.000 0.205 1028 K C 2.162 178.830 176.600 0.115 0.000 1.050 1028 K CA 1.059 57.363 56.287 0.028 0.000 0.938 1028 K CB -0.135 32.359 32.500 -0.010 0.000 0.718 1028 K HN 0.204 nan 8.250 nan 0.000 0.442 1029 K N 0.816 121.263 120.400 0.077 0.000 2.026 1029 K HA -0.123 4.196 4.320 -0.002 0.000 0.208 1029 K C 2.166 178.826 176.600 0.101 0.000 1.048 1029 K CA 1.601 57.938 56.287 0.083 0.000 0.929 1029 K CB -0.226 32.311 32.500 0.061 0.000 0.713 1029 K HN 0.217 nan 8.250 nan 0.000 0.439 1030 G N -0.245 108.611 108.800 0.094 0.000 2.421 1030 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.217 1030 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.217 1030 G C 1.336 176.309 174.900 0.122 0.000 1.143 1030 G CA 0.685 45.843 45.100 0.097 0.000 0.784 1030 G HN 0.459 nan 8.290 nan 0.000 0.541 1031 Y N 2.017 122.304 120.300 -0.021 0.000 2.145 1031 Y HA -0.153 4.396 4.550 -0.002 0.000 0.286 1031 Y C 2.953 178.910 175.900 0.095 0.000 1.145 1031 Y CA 2.337 60.408 58.100 -0.048 0.000 1.148 1031 Y CB -0.451 37.906 38.460 -0.172 0.000 0.981 1031 Y HN 0.167 nan 8.280 nan 0.000 0.507 1032 T N 0.739 115.340 114.554 0.079 0.000 2.746 1032 T HA -0.211 4.138 4.350 -0.002 0.000 0.267 1032 T C 1.701 176.409 174.700 0.013 0.000 1.039 1032 T CA 1.796 63.898 62.100 0.004 0.000 1.142 1032 T CB -0.267 68.662 68.868 0.101 0.000 0.866 1032 T HN 0.486 nan 8.240 nan 0.000 0.444 1033 Q N 0.472 120.323 119.800 0.084 0.000 2.124 1033 Q HA -0.161 4.178 4.340 -0.002 0.000 0.202 1033 Q C 2.442 178.605 176.000 0.271 0.000 0.977 1033 Q CA 1.202 57.096 55.803 0.151 0.000 0.850 1033 Q CB -0.194 28.658 28.738 0.189 0.000 0.901 1033 Q HN 0.365 nan 8.270 nan 0.000 0.429 1034 Q N 0.915 120.857 119.800 0.235 0.000 2.224 1034 Q HA -0.075 4.264 4.340 -0.002 0.000 0.203 1034 Q C 1.692 177.912 176.000 0.367 0.000 0.970 1034 Q CA 1.087 57.087 55.803 0.328 0.000 0.865 1034 Q CB -0.049 28.832 28.738 0.237 0.000 0.922 1034 Q HN 0.398 nan 8.270 nan 0.000 0.445 1035 L N -0.560 120.755 121.223 0.154 0.000 2.201 1035 L HA -0.027 4.312 4.340 -0.002 0.000 0.212 1035 L C 2.124 179.008 176.870 0.024 0.000 1.105 1035 L CA 0.781 55.675 54.840 0.090 0.000 0.775 1035 L CB -0.625 41.400 42.059 -0.057 0.000 0.913 1035 L HN 0.236 nan 8.230 nan 0.000 0.440 1036 A N -0.568 122.225 122.820 -0.044 0.000 2.172 1036 A HA -0.079 4.240 4.320 -0.002 0.000 0.216 1036 A C 1.415 178.734 177.584 -0.443 0.000 1.154 1036 A CA 1.014 52.885 52.037 -0.276 0.000 0.701 1036 A CB -0.509 18.245 19.000 -0.411 0.000 0.789 1036 A HN 0.413 nan 8.150 nan 0.000 0.465 1037 F N -0.839 119.140 119.950 0.048 0.000 2.668 1037 F HA 0.292 4.818 4.527 -0.002 0.000 0.301 1037 F C 0.907 176.682 175.800 -0.042 0.000 1.106 1037 F CA -0.355 57.673 58.000 0.047 0.000 1.289 1037 F CB 0.359 39.414 39.000 0.092 0.000 1.006 1037 F HN 0.014 nan 8.300 nan 0.000 0.535 1038 R N 2.158 122.607 120.500 -0.085 0.000 2.205 1038 R HA 0.234 4.573 4.340 -0.002 0.000 0.342 1038 R C -0.130 175.931 176.300 -0.398 0.000 1.058 1038 R CA -0.193 55.562 56.100 -0.575 0.000 0.904 1038 R CB 0.410 30.370 30.300 -0.568 0.000 1.089 1038 R HN 0.312 nan 8.270 nan 0.000 0.471 1039 Q N 4.606 124.157 119.800 -0.414 0.000 2.454 1039 Q HA 0.067 4.406 4.340 -0.002 0.000 0.247 1039 Q C -1.626 174.217 176.000 -0.262 0.000 1.028 1039 Q CA -1.654 53.990 55.803 -0.266 0.000 0.910 1039 Q CB 0.714 29.316 28.738 -0.227 0.000 1.276 1039 Q HN 0.458 nan 8.270 nan 0.000 0.489 1040 P HA -0.197 nan 4.420 nan 0.000 0.218 1040 P C 0.763 177.995 177.300 -0.114 0.000 1.146 1040 P CA 1.436 64.466 63.100 -0.115 0.000 0.813 1040 P CB 0.093 31.755 31.700 -0.064 0.000 0.778 1041 S N -2.444 113.173 115.700 -0.139 0.000 2.720 1041 S HA 0.070 4.539 4.470 -0.002 0.000 0.222 1041 S C 0.921 175.387 174.600 -0.223 0.000 0.958 1041 S CA 0.415 58.559 58.200 -0.094 0.000 0.943 1041 S CB -1.163 62.021 63.200 -0.026 0.000 0.779 1041 S HN 0.030 nan 8.310 nan 0.000 0.526 1042 S N -0.603 114.923 115.700 -0.290 0.000 3.270 1042 S HA -0.170 4.298 4.470 -0.002 0.000 0.293 1042 S C 0.552 174.810 174.600 -0.570 0.000 1.278 1042 S CA 0.741 58.744 58.200 -0.330 0.000 1.038 1042 S CB -2.155 60.985 63.200 -0.101 0.000 1.218 1042 S HN 1.248 nan 8.310 nan 0.000 0.659 1043 A N -0.395 121.905 122.820 -0.866 0.000 2.326 1043 A HA 0.926 5.244 4.320 -0.002 0.000 0.303 1043 A C -0.336 176.678 177.584 -0.950 0.000 1.164 1043 A CA -0.404 50.988 52.037 -1.075 0.000 0.929 1043 A CB 0.641 18.513 19.000 -1.881 0.000 1.363 1043 A HN 0.282 nan 8.150 nan 0.000 0.498 1044 F N -2.279 117.417 119.950 -0.423 0.000 2.629 1044 F HA 0.753 5.279 4.527 -0.002 0.000 0.316 1044 F C 0.400 176.124 175.800 -0.127 0.000 1.081 1044 F CA 0.302 58.180 58.000 -0.203 0.000 0.954 1044 F CB 2.416 41.321 39.000 -0.159 0.000 1.337 1044 F HN 0.904 nan 8.300 nan 0.000 0.474 1045 A N 0.144 123.053 122.820 0.148 0.000 2.540 1045 A HA 0.693 5.012 4.320 -0.002 0.000 0.291 1045 A C 0.072 177.664 177.584 0.014 0.000 1.083 1045 A CA -0.170 51.920 52.037 0.089 0.000 0.650 1045 A CB 0.347 19.398 19.000 0.084 0.000 1.292 1045 A HN 1.129 nan 8.150 nan 0.000 0.435 1046 A N -0.507 122.273 122.820 -0.066 0.000 1.940 1046 A HA 0.370 4.689 4.320 -0.002 0.000 0.219 1046 A C 0.413 177.594 177.584 -0.673 0.000 1.176 1046 A CA 1.855 53.657 52.037 -0.391 0.000 0.631 1046 A CB -0.508 18.309 19.000 -0.304 0.000 0.814 1046 A HN 0.981 nan 8.150 nan 0.000 0.446 1047 F N -3.469 116.583 119.950 0.169 0.000 2.643 1047 F HA 0.402 4.928 4.527 -0.002 0.000 0.314 1047 F C 1.024 176.926 175.800 0.169 0.000 1.096 1047 F CA -0.407 57.732 58.000 0.231 0.000 0.953 1047 F CB 1.725 40.816 39.000 0.153 0.000 1.345 1047 F HN -0.101 nan 8.300 nan 0.000 0.468 1048 V N -1.317 118.798 119.914 0.335 0.000 3.078 1048 V HA -0.083 4.036 4.120 -0.002 0.000 0.265 1048 V C 1.205 177.370 176.094 0.118 0.000 1.122 1048 V CA 1.588 63.979 62.300 0.151 0.000 1.141 1048 V CB -0.868 30.994 31.823 0.066 0.000 0.735 1048 V HN 0.825 nan 8.190 nan 0.000 0.498 1049 K N 0.243 120.740 120.400 0.161 0.000 2.308 1049 K HA 0.201 4.520 4.320 -0.002 0.000 0.197 1049 K C 1.329 177.997 176.600 0.113 0.000 1.049 1049 K CA -0.268 56.080 56.287 0.101 0.000 0.991 1049 K CB 0.228 32.763 32.500 0.060 0.000 0.836 1049 K HN 0.435 nan 8.250 nan 0.000 0.500 1050 R N 1.636 122.246 120.500 0.183 0.000 2.643 1050 R HA 0.173 4.512 4.340 -0.002 0.000 0.270 1050 R C -0.547 175.827 176.300 0.124 0.000 1.061 1050 R CA -0.087 56.115 56.100 0.171 0.000 1.107 1050 R CB 0.561 31.016 30.300 0.258 0.000 0.999 1050 R HN 0.036 nan 8.270 nan 0.000 0.460 1051 A N 5.608 128.494 122.820 0.110 0.000 2.498 1051 A HA 0.226 4.545 4.320 -0.002 0.000 0.239 1051 A C -2.077 175.577 177.584 0.117 0.000 1.068 1051 A CA -1.102 50.999 52.037 0.108 0.000 0.766 1051 A CB -0.190 18.875 19.000 0.108 0.000 1.003 1051 A HN 0.582 nan 8.150 nan 0.000 0.497 1052 P HA 0.088 nan 4.420 nan 0.000 0.266 1052 P C -0.277 177.145 177.300 0.203 0.000 1.195 1052 P CA 0.317 63.466 63.100 0.082 0.000 0.768 1052 P CB 0.676 32.428 31.700 0.086 0.000 0.838 1053 S N 1.351 117.156 115.700 0.176 0.000 2.437 1053 S HA 0.264 4.733 4.470 -0.002 0.000 0.305 1053 S C 1.188 176.024 174.600 0.392 0.000 1.109 1053 S CA -0.399 57.962 58.200 0.268 0.000 1.099 1053 S CB 0.230 63.565 63.200 0.225 0.000 1.004 1053 S HN 0.345 nan 8.310 nan 0.000 0.475 1054 T N 4.151 118.986 114.554 0.469 0.000 2.821 1054 T HA -0.078 4.271 4.350 -0.002 0.000 0.267 1054 T C 1.181 176.139 174.700 0.431 0.000 1.046 1054 T CA 1.234 63.650 62.100 0.527 0.000 1.139 1054 T CB -0.274 68.823 68.868 0.381 0.000 0.871 1054 T HN 0.855 nan 8.240 nan 0.000 0.454 1055 W N 1.307 122.723 121.300 0.193 0.000 2.408 1055 W HA 0.052 4.711 4.660 -0.002 0.000 0.311 1055 W C 1.926 178.553 176.519 0.180 0.000 1.190 1055 W CA 0.283 57.710 57.345 0.137 0.000 1.321 1055 W CB -0.543 28.903 29.460 -0.023 0.000 1.143 1055 W HN 0.094 nan 8.180 nan 0.000 0.501 1056 L N 0.818 122.337 121.223 0.493 0.000 2.042 1056 L HA -0.196 4.143 4.340 -0.002 0.000 0.210 1056 L C 2.249 179.149 176.870 0.049 0.000 1.076 1056 L CA 2.777 57.783 54.840 0.277 0.000 0.749 1056 L CB -1.354 40.875 42.059 0.284 0.000 0.893 1056 L HN -0.028 nan 8.230 nan 0.000 0.432 1057 T N -0.208 114.421 114.554 0.125 0.000 2.708 1057 T HA -0.155 4.194 4.350 -0.002 0.000 0.266 1057 T C 1.894 176.599 174.700 0.008 0.000 1.037 1057 T CA 1.414 63.579 62.100 0.107 0.000 1.146 1057 T CB -0.546 68.431 68.868 0.181 0.000 0.865 1057 T HN 0.534 nan 8.240 nan 0.000 0.435 1058 A N 0.326 123.170 122.820 0.041 0.000 1.933 1058 A HA -0.084 4.234 4.320 -0.002 0.000 0.218 1058 A C 2.095 179.568 177.584 -0.185 0.000 1.175 1058 A CA 1.438 53.445 52.037 -0.050 0.000 0.628 1058 A CB -0.960 18.040 19.000 -0.001 0.000 0.814 1058 A HN 0.602 nan 8.150 nan 0.000 0.444 1059 Y N 0.507 120.577 120.300 -0.384 0.000 2.242 1059 Y HA -0.143 4.406 4.550 -0.002 0.000 0.291 1059 Y C 2.282 177.943 175.900 -0.398 0.000 1.137 1059 Y CA 1.727 59.541 58.100 -0.478 0.000 1.181 1059 Y CB -0.230 37.743 38.460 -0.812 0.000 0.989 1059 Y HN 0.064 nan 8.280 nan 0.000 0.527 1060 V N -0.824 118.857 119.914 -0.388 0.000 2.392 1060 V HA -0.318 3.801 4.120 -0.002 0.000 0.249 1060 V C 2.284 178.053 176.094 -0.541 0.000 1.059 1060 V CA 1.742 63.684 62.300 -0.596 0.000 1.051 1060 V CB -0.813 30.380 31.823 -1.049 0.000 0.658 1060 V HN 0.354 nan 8.190 nan 0.000 0.455 1061 V N -0.121 119.559 119.914 -0.391 0.000 2.427 1061 V HA -0.268 3.851 4.120 -0.002 0.000 0.248 1061 V C 2.386 178.361 176.094 -0.199 0.000 1.051 1061 V CA 2.234 64.393 62.300 -0.235 0.000 1.048 1061 V CB -0.691 31.040 31.823 -0.154 0.000 0.666 1061 V HN 0.565 nan 8.190 nan 0.000 0.456 1062 K N 0.126 120.320 120.400 -0.343 0.000 2.026 1062 K HA -0.146 4.173 4.320 -0.002 0.000 0.208 1062 K C 2.073 178.495 176.600 -0.297 0.000 1.048 1062 K CA 1.686 57.764 56.287 -0.349 0.000 0.929 1062 K CB -0.127 32.045 32.500 -0.546 0.000 0.713 1062 K HN 0.338 nan 8.250 nan 0.000 0.439 1063 V N 0.833 120.456 119.914 -0.485 0.000 2.323 1063 V HA -0.191 3.928 4.120 -0.002 0.000 0.244 1063 V C 2.128 178.235 176.094 0.021 0.000 1.041 1063 V CA 1.520 63.634 62.300 -0.309 0.000 1.025 1063 V CB -0.583 30.999 31.823 -0.401 0.000 0.656 1063 V HN 0.207 nan 8.190 nan 0.000 0.451 1064 F N 1.088 120.928 119.950 -0.183 0.000 2.171 1064 F HA -0.139 4.387 4.527 -0.002 0.000 0.300 1064 F C 2.643 178.414 175.800 -0.048 0.000 1.090 1064 F CA 1.621 59.581 58.000 -0.066 0.000 1.293 1064 F CB -0.978 38.005 39.000 -0.028 0.000 1.013 1064 F HN 0.062 nan 8.300 nan 0.000 0.486 1065 S N -0.148 115.623 115.700 0.119 0.000 2.507 1065 S HA -0.071 4.398 4.470 -0.002 0.000 0.235 1065 S C 2.013 176.627 174.600 0.024 0.000 0.988 1065 S CA 0.526 58.758 58.200 0.053 0.000 0.944 1065 S CB -0.284 62.925 63.200 0.017 0.000 0.762 1065 S HN 0.385 nan 8.310 nan 0.000 0.526 1066 L N 0.426 121.662 121.223 0.020 0.000 2.357 1066 L HA 0.327 4.666 4.340 -0.002 0.000 0.211 1066 L C 1.878 178.735 176.870 -0.021 0.000 1.075 1066 L CA 0.444 55.275 54.840 -0.016 0.000 0.830 1066 L CB -0.221 41.834 42.059 -0.007 0.000 0.996 1066 L HN 0.267 nan 8.230 nan 0.000 0.467 1067 A N -0.688 122.111 122.820 -0.035 0.000 2.278 1067 A HA 0.102 4.421 4.320 -0.002 0.000 0.212 1067 A C 1.859 179.385 177.584 -0.098 0.000 1.213 1067 A CA 0.695 52.686 52.037 -0.077 0.000 0.840 1067 A CB -0.687 18.219 19.000 -0.157 0.000 0.866 1067 A HN 0.375 nan 8.150 nan 0.000 0.489 1068 V N -2.351 117.530 119.914 -0.055 0.000 2.626 1068 V HA -0.137 3.982 4.120 -0.002 0.000 0.252 1068 V C 1.379 177.445 176.094 -0.046 0.000 1.067 1068 V CA 2.066 64.335 62.300 -0.052 0.000 1.081 1068 V CB -0.854 30.962 31.823 -0.012 0.000 0.686 1068 V HN 0.434 nan 8.190 nan 0.000 0.468 1069 N N 0.181 118.868 118.700 -0.022 0.000 2.412 1069 N HA 0.251 4.990 4.740 -0.002 0.000 0.184 1069 N C 1.430 176.925 175.510 -0.025 0.000 1.101 1069 N CA 0.859 53.902 53.050 -0.012 0.000 0.881 1069 N CB 0.237 38.737 38.487 0.022 0.000 0.969 1069 N HN 0.510 nan 8.380 nan 0.000 0.459 1070 L N -0.333 120.864 121.223 -0.043 0.000 2.349 1070 L HA 0.359 4.698 4.340 -0.002 0.000 0.200 1070 L C 1.017 177.828 176.870 -0.097 0.000 1.064 1070 L CA 0.412 55.219 54.840 -0.055 0.000 0.821 1070 L CB 0.015 42.051 42.059 -0.038 0.000 1.027 1070 L HN 0.041 nan 8.230 nan 0.000 0.476 1071 I N -3.426 117.057 120.570 -0.144 0.000 3.457 1071 I HA 0.731 4.900 4.170 -0.002 0.000 0.307 1071 I C -0.608 175.373 176.117 -0.227 0.000 1.138 1071 I CA -1.228 59.953 61.300 -0.198 0.000 0.974 1071 I CB 1.901 39.736 38.000 -0.275 0.000 1.324 1071 I HN -0.204 nan 8.210 nan 0.000 0.485 1072 A N 3.146 125.808 122.820 -0.263 0.000 2.302 1072 A HA 0.630 4.949 4.320 -0.002 0.000 0.295 1072 A C -0.427 176.947 177.584 -0.350 0.000 1.235 1072 A CA -0.323 51.579 52.037 -0.224 0.000 0.876 1072 A CB -0.203 18.711 19.000 -0.144 0.000 1.133 1072 A HN 0.468 nan 8.150 nan 0.000 0.533 1073 I N 2.709 123.158 120.570 -0.202 0.000 2.339 1073 I HA 0.182 4.351 4.170 -0.002 0.000 0.290 1073 I C -0.054 176.123 176.117 0.100 0.000 0.994 1073 I CA -0.665 60.586 61.300 -0.082 0.000 1.191 1073 I CB 1.348 39.358 38.000 0.017 0.000 1.343 1073 I HN 0.624 nan 8.210 nan 0.000 0.458 1074 D N 3.998 124.549 120.400 0.251 0.000 2.401 1074 D HA 0.069 4.708 4.640 -0.002 0.000 0.254 1074 D C 1.025 177.431 176.300 0.176 0.000 1.192 1074 D CA 0.439 54.561 54.000 0.204 0.000 0.885 1074 D CB 1.115 42.059 40.800 0.240 0.000 1.147 1074 D HN 0.416 nan 8.370 nan 0.000 0.478 1075 S N 2.969 118.738 115.700 0.114 0.000 2.402 1075 S HA -0.150 4.318 4.470 -0.002 0.000 0.229 1075 S C 1.720 176.374 174.600 0.090 0.000 1.021 1075 S CA 0.578 58.834 58.200 0.094 0.000 0.974 1075 S CB -0.006 63.232 63.200 0.064 0.000 0.800 1075 S HN 0.571 nan 8.310 nan 0.000 0.484 1076 Q N 0.652 120.503 119.800 0.085 0.000 2.135 1076 Q HA -0.055 4.284 4.340 -0.002 0.000 0.204 1076 Q C 2.363 178.407 176.000 0.073 0.000 0.981 1076 Q CA 1.115 56.959 55.803 0.068 0.000 0.856 1076 Q CB -0.536 28.236 28.738 0.057 0.000 0.902 1076 Q HN 0.471 nan 8.270 nan 0.000 0.425 1077 V N 0.545 120.524 119.914 0.107 0.000 2.379 1077 V HA -0.176 3.942 4.120 -0.002 0.000 0.243 1077 V C 2.255 178.418 176.094 0.114 0.000 1.035 1077 V CA 1.008 63.375 62.300 0.111 0.000 1.035 1077 V CB -0.602 31.325 31.823 0.174 0.000 0.673 1077 V HN 0.197 nan 8.190 nan 0.000 0.457 1078 L N 0.272 121.581 121.223 0.143 0.000 2.017 1078 L HA -0.160 4.179 4.340 -0.002 0.000 0.208 1078 L C 2.257 179.173 176.870 0.076 0.000 1.073 1078 L CA 2.209 57.116 54.840 0.111 0.000 0.745 1078 L CB -0.792 41.361 42.059 0.157 0.000 0.894 1078 L HN 0.379 nan 8.230 nan 0.000 0.432 1079 c N -0.340 118.307 118.600 0.079 0.000 2.468 1079 c HA 0.151 4.720 4.570 -0.002 0.000 0.277 1079 c C 2.707 176.844 174.090 0.079 0.000 1.400 1079 c CA 0.133 56.503 56.329 0.070 0.000 1.770 1079 c CB -1.758 40.788 42.510 0.061 0.000 1.905 1079 c HN 0.735 nan 8.230 nan 0.000 0.519 1080 G N 0.907 109.753 108.800 0.076 0.000 2.418 1080 G HA2 -0.045 3.914 3.960 -0.002 0.000 0.217 1080 G HA3 -0.045 3.914 3.960 -0.002 0.000 0.217 1080 G C 1.846 176.814 174.900 0.113 0.000 1.158 1080 G CA 0.995 46.139 45.100 0.074 0.000 0.771 1080 G HN 0.581 nan 8.290 nan 0.000 0.545 1081 A N -0.044 122.844 122.820 0.114 0.000 1.968 1081 A HA 0.199 4.518 4.320 -0.002 0.000 0.217 1081 A C 2.552 180.273 177.584 0.229 0.000 1.169 1081 A CA 1.530 53.670 52.037 0.173 0.000 0.638 1081 A CB -0.341 18.759 19.000 0.167 0.000 0.812 1081 A HN 0.235 nan 8.150 nan 0.000 0.446 1082 V N 0.237 120.240 119.914 0.149 0.000 2.307 1082 V HA -0.235 3.883 4.120 -0.002 0.000 0.245 1082 V C 2.501 178.689 176.094 0.157 0.000 1.045 1082 V CA 2.283 64.660 62.300 0.129 0.000 1.024 1082 V CB -0.598 31.271 31.823 0.075 0.000 0.651 1082 V HN 0.684 nan 8.190 nan 0.000 0.449 1083 K N -1.202 119.288 120.400 0.150 0.000 2.147 1083 K HA -0.257 4.062 4.320 -0.002 0.000 0.205 1083 K C 2.000 178.702 176.600 0.169 0.000 1.049 1083 K CA 1.794 58.160 56.287 0.132 0.000 0.936 1083 K CB -0.256 32.309 32.500 0.108 0.000 0.722 1083 K HN 0.583 nan 8.250 nan 0.000 0.446 1084 W N 1.276 122.603 121.300 0.046 0.000 2.388 1084 W HA -0.102 4.557 4.660 -0.002 0.000 0.294 1084 W C 1.279 177.849 176.519 0.085 0.000 1.212 1084 W CA 1.076 58.451 57.345 0.049 0.000 1.271 1084 W CB -0.021 29.462 29.460 0.038 0.000 1.126 1084 W HN -0.016 nan 8.180 nan 0.000 0.535 1085 L N -0.052 121.307 121.223 0.227 0.000 2.109 1085 L HA -0.178 4.161 4.340 -0.002 0.000 0.207 1085 L C 2.327 179.274 176.870 0.128 0.000 1.086 1085 L CA 1.112 56.043 54.840 0.152 0.000 0.760 1085 L CB -0.707 41.535 42.059 0.304 0.000 0.910 1085 L HN 0.008 nan 8.230 nan 0.000 0.437 1086 I N -0.472 120.164 120.570 0.111 0.000 2.141 1086 I HA -0.258 3.911 4.170 -0.002 0.000 0.236 1086 I C 2.371 178.442 176.117 -0.076 0.000 1.071 1086 I CA 1.255 62.588 61.300 0.055 0.000 1.345 1086 I CB -0.245 37.797 38.000 0.070 0.000 1.066 1086 I HN 0.151 nan 8.210 nan 0.000 0.406 1087 L N 0.104 121.282 121.223 -0.074 0.000 2.027 1087 L HA -0.149 4.190 4.340 -0.002 0.000 0.206 1087 L C 2.698 179.462 176.870 -0.178 0.000 1.074 1087 L CA 1.225 56.005 54.840 -0.100 0.000 0.745 1087 L CB -0.568 41.460 42.059 -0.052 0.000 0.898 1087 L HN 0.259 nan 8.230 nan 0.000 0.433 1088 E N 0.238 120.266 120.200 -0.287 0.000 2.022 1088 E HA -0.020 4.329 4.350 -0.002 0.000 0.190 1088 E C 0.817 177.166 176.600 -0.418 0.000 0.973 1088 E CA 0.818 56.984 56.400 -0.390 0.000 0.816 1088 E CB -0.063 29.245 29.700 -0.653 0.000 0.781 1088 E HN 0.144 nan 8.360 nan 0.000 0.456 1089 K N 1.846 121.907 120.400 -0.565 0.000 2.518 1089 K HA 0.228 4.547 4.320 -0.002 0.000 0.244 1089 K C -0.252 176.125 176.600 -0.371 0.000 1.232 1089 K CA -0.032 56.005 56.287 -0.417 0.000 1.189 1089 K CB 0.250 32.471 32.500 -0.464 0.000 1.737 1089 K HN 0.173 nan 8.250 nan 0.000 0.333 1090 Q N 1.277 120.823 119.800 -0.424 0.000 2.364 1090 Q HA 0.187 4.526 4.340 -0.002 0.000 0.251 1090 Q C -1.255 174.496 176.000 -0.414 0.000 0.927 1090 Q CA -0.468 54.957 55.803 -0.630 0.000 0.924 1090 Q CB 1.592 29.886 28.738 -0.741 0.000 1.419 1090 Q HN 0.180 nan 8.270 nan 0.000 0.427 1091 K N 3.423 123.583 120.400 -0.400 0.000 2.107 1091 K HA 0.266 4.585 4.320 -0.002 0.000 0.251 1091 K C -1.866 174.589 176.600 -0.243 0.000 1.012 1091 K CA -1.697 54.427 56.287 -0.272 0.000 0.920 1091 K CB 0.562 32.914 32.500 -0.247 0.000 1.033 1091 K HN 0.349 nan 8.250 nan 0.000 0.478 1092 P HA -0.139 nan 4.420 nan 0.000 0.221 1092 P C -0.103 177.127 177.300 -0.116 0.000 1.145 1092 P CA 1.168 64.195 63.100 -0.122 0.000 0.795 1092 P CB 0.189 31.839 31.700 -0.084 0.000 0.775 1093 D N -1.470 118.839 120.400 -0.152 0.000 2.312 1093 D HA 0.017 4.656 4.640 -0.002 0.000 0.211 1093 D C 1.773 177.959 176.300 -0.190 0.000 0.964 1093 D CA 1.433 55.345 54.000 -0.147 0.000 0.877 1093 D CB -0.612 40.054 40.800 -0.224 0.000 0.924 1093 D HN 0.196 nan 8.370 nan 0.000 0.515 1094 G N -0.225 108.425 108.800 -0.250 0.000 2.175 1094 G HA2 -0.282 3.676 3.960 -0.002 0.000 0.244 1094 G HA3 -0.282 3.676 3.960 -0.002 0.000 0.244 1094 G C 0.373 175.061 174.900 -0.354 0.000 0.982 1094 G CA 0.250 45.209 45.100 -0.235 0.000 0.641 1094 G HN 0.308 nan 8.290 nan 0.000 0.527 1095 V N 1.349 120.955 119.914 -0.514 0.000 2.555 1095 V HA 0.547 4.666 4.120 -0.002 0.000 0.286 1095 V C 0.414 176.281 176.094 -0.378 0.000 1.044 1095 V CA -0.000 62.013 62.300 -0.477 0.000 1.026 1095 V CB 0.708 32.142 31.823 -0.647 0.000 0.981 1095 V HN 0.200 nan 8.190 nan 0.000 0.480 1096 F N 3.348 123.234 119.950 -0.105 0.000 2.420 1096 F HA 0.521 5.046 4.527 -0.002 0.000 0.342 1096 F C 0.332 176.125 175.800 -0.011 0.000 1.113 1096 F CA -0.245 57.731 58.000 -0.041 0.000 1.059 1096 F CB 1.356 40.371 39.000 0.025 0.000 1.128 1096 F HN 0.438 nan 8.300 nan 0.000 0.475 1097 Q N 2.126 121.994 119.800 0.113 0.000 2.342 1097 Q HA 0.349 4.687 4.340 -0.002 0.000 0.267 1097 Q C -1.159 174.915 176.000 0.123 0.000 1.038 1097 Q CA -1.034 54.819 55.803 0.084 0.000 0.832 1097 Q CB 1.916 30.659 28.738 0.009 0.000 1.323 1097 Q HN 0.602 nan 8.270 nan 0.000 0.448 1098 E N 2.211 122.485 120.200 0.123 0.000 2.167 1098 E HA 0.104 4.453 4.350 -0.002 0.000 0.284 1098 E C -0.811 175.852 176.600 0.105 0.000 1.016 1098 E CA 0.077 56.562 56.400 0.141 0.000 0.817 1098 E CB 1.001 30.775 29.700 0.123 0.000 1.080 1098 E HN 0.586 nan 8.360 nan 0.000 0.397 1099 D N 3.248 123.726 120.400 0.131 0.000 2.414 1099 D HA 0.154 4.793 4.640 -0.002 0.000 0.237 1099 D C -0.177 176.183 176.300 0.100 0.000 0.975 1099 D CA 0.827 54.891 54.000 0.106 0.000 0.917 1099 D CB 0.237 41.111 40.800 0.124 0.000 1.061 1099 D HN 0.397 nan 8.370 nan 0.000 0.480 1100 A N 1.626 124.523 122.820 0.128 0.000 2.802 1100 A HA 0.512 4.831 4.320 -0.002 0.000 0.344 1100 A C -2.575 175.066 177.584 0.095 0.000 1.215 1100 A CA -1.288 50.812 52.037 0.105 0.000 0.821 1100 A CB 0.452 19.524 19.000 0.120 0.000 1.099 1100 A HN -0.117 nan 8.150 nan 0.000 0.479 1101 P HA 0.121 nan 4.420 nan 0.000 0.265 1101 P C 0.566 177.862 177.300 -0.007 0.000 1.187 1101 P CA 0.154 63.256 63.100 0.003 0.000 0.766 1101 P CB 0.569 32.244 31.700 -0.041 0.000 0.820 1102 V N 1.375 121.263 119.914 -0.043 0.000 2.872 1102 V HA -0.022 4.097 4.120 -0.002 0.000 0.307 1102 V C 1.432 177.491 176.094 -0.059 0.000 1.072 1102 V CA 0.114 62.397 62.300 -0.028 0.000 1.148 1102 V CB -0.376 31.416 31.823 -0.052 0.000 0.954 1102 V HN 0.338 nan 8.190 nan 0.000 0.490 1103 I N 2.111 122.658 120.570 -0.038 0.000 2.286 1103 I HA -0.120 4.049 4.170 -0.002 0.000 0.248 1103 I C 1.673 177.666 176.117 -0.207 0.000 1.115 1103 I CA 1.268 62.497 61.300 -0.119 0.000 1.392 1103 I CB -0.923 36.985 38.000 -0.153 0.000 1.065 1103 I HN 0.698 nan 8.210 nan 0.000 0.418 1104 H N 3.213 122.232 119.070 -0.085 0.000 3.118 1104 H HA 0.142 4.697 4.556 -0.002 0.000 0.266 1104 H C 0.637 175.848 175.328 -0.195 0.000 1.465 1104 H CA -0.057 55.925 56.048 -0.111 0.000 1.460 1104 H CB 0.313 30.005 29.762 -0.117 0.000 1.661 1104 H HN 0.367 nan 8.280 nan 0.000 0.516 1105 Q N 1.528 121.266 119.800 -0.103 0.000 2.515 1105 Q HA -0.091 4.248 4.340 -0.002 0.000 0.212 1105 Q C 1.603 177.497 176.000 -0.177 0.000 0.970 1105 Q CA 0.475 56.174 55.803 -0.173 0.000 0.941 1105 Q CB 0.314 28.979 28.738 -0.122 0.000 0.998 1105 Q HN 0.749 nan 8.270 nan 0.000 0.518 1106 E N -0.166 119.936 120.200 -0.163 0.000 2.400 1106 E HA -0.090 4.259 4.350 -0.002 0.000 0.195 1106 E C 1.632 178.092 176.600 -0.234 0.000 1.012 1106 E CA 0.320 56.582 56.400 -0.230 0.000 0.875 1106 E CB -0.215 29.185 29.700 -0.501 0.000 0.859 1106 E HN 0.456 nan 8.360 nan 0.000 0.498 1107 M N 0.386 119.841 119.600 -0.241 0.000 2.495 1107 M HA 0.291 4.770 4.480 -0.002 0.000 0.237 1107 M C 1.923 178.071 176.300 -0.254 0.000 1.131 1107 M CA 0.450 55.629 55.300 -0.202 0.000 1.032 1107 M CB -0.487 32.002 32.600 -0.184 0.000 1.513 1107 M HN 0.062 nan 8.290 nan 0.000 0.488 1108 I N -2.051 118.225 120.570 -0.489 0.000 3.684 1108 I HA 0.474 4.643 4.170 -0.002 0.000 0.304 1108 I C 1.166 177.182 176.117 -0.169 0.000 1.278 1108 I CA 0.219 61.089 61.300 -0.717 0.000 1.272 1108 I CB -0.905 36.410 38.000 -1.142 0.000 1.029 1108 I HN 0.450 nan 8.210 nan 0.000 0.458 1109 G N 2.059 110.853 108.800 -0.011 0.000 2.583 1109 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.292 1109 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.292 1109 G C 0.757 175.723 174.900 0.110 0.000 1.203 1109 G CA 0.117 45.325 45.100 0.181 0.000 0.987 1109 G HN 0.714 nan 8.290 nan 0.000 0.554 1110 G N -0.785 108.019 108.800 0.006 0.000 3.332 1110 G HA2 0.427 4.386 3.960 -0.002 0.000 0.242 1110 G HA3 0.427 4.386 3.960 -0.002 0.000 0.242 1110 G C 0.970 175.395 174.900 -0.791 0.000 1.276 1110 G CA 0.857 45.449 45.100 -0.847 0.000 0.988 1110 G HN 0.534 nan 8.290 nan 0.000 0.517 1111 L N -0.986 120.016 121.223 -0.368 0.000 2.664 1111 L HA 0.371 4.710 4.340 -0.002 0.000 0.233 1111 L C 2.407 179.095 176.870 -0.304 0.000 1.113 1111 L CA 0.136 54.813 54.840 -0.272 0.000 0.896 1111 L CB 0.030 41.961 42.059 -0.212 0.000 1.163 1111 L HN 0.194 nan 8.230 nan 0.000 0.497 1112 R N 0.270 120.567 120.500 -0.338 0.000 2.120 1112 R HA -0.093 4.246 4.340 -0.002 0.000 0.234 1112 R C 0.819 176.981 176.300 -0.229 0.000 1.123 1112 R CA 0.610 56.559 56.100 -0.252 0.000 0.975 1112 R CB 0.032 30.233 30.300 -0.165 0.000 0.866 1112 R HN 0.240 nan 8.270 nan 0.000 0.446 1113 N N 0.932 119.440 118.700 -0.319 0.000 2.497 1113 N HA -0.030 4.709 4.740 -0.002 0.000 0.271 1113 N C -0.444 174.964 175.510 -0.170 0.000 1.142 1113 N CA 0.104 53.008 53.050 -0.242 0.000 0.965 1113 N CB 0.924 39.222 38.487 -0.316 0.000 1.077 1113 N HN 0.103 nan 8.380 nan 0.000 0.462 1114 N N 1.501 120.136 118.700 -0.107 0.000 2.398 1114 N HA -0.050 4.689 4.740 -0.002 0.000 0.188 1114 N C -0.413 175.072 175.510 -0.042 0.000 1.122 1114 N CA 0.101 53.111 53.050 -0.067 0.000 0.866 1114 N CB -0.337 38.121 38.487 -0.048 0.000 0.970 1114 N HN 0.490 nan 8.380 nan 0.000 0.462 1115 N N 2.460 121.129 118.700 -0.052 0.000 2.400 1115 N HA -0.043 4.695 4.740 -0.002 0.000 0.267 1115 N C -0.902 174.605 175.510 -0.005 0.000 1.208 1115 N CA 0.376 53.410 53.050 -0.027 0.000 0.951 1115 N CB -0.391 38.075 38.487 -0.034 0.000 1.227 1115 N HN 0.124 nan 8.380 nan 0.000 0.488 1116 E N 1.063 121.273 120.200 0.017 0.000 2.987 1116 E HA -0.237 4.112 4.350 -0.002 0.000 0.173 1116 E C -0.003 176.637 176.600 0.066 0.000 1.485 1116 E CA 0.237 56.665 56.400 0.047 0.000 0.733 1116 E CB -0.569 29.157 29.700 0.044 0.000 1.105 1116 E HN 0.657 nan 8.360 nan 0.000 0.390 1117 K N 0.745 121.187 120.400 0.069 0.000 2.284 1117 K HA -0.053 4.266 4.320 -0.002 0.000 0.198 1117 K C 1.077 177.756 176.600 0.132 0.000 1.048 1117 K CA 0.755 57.088 56.287 0.077 0.000 0.987 1117 K CB 0.377 32.904 32.500 0.045 0.000 0.800 1117 K HN 0.149 nan 8.250 nan 0.000 0.486 1118 D N 0.659 121.157 120.400 0.164 0.000 2.144 1118 D HA -0.125 4.514 4.640 -0.002 0.000 0.200 1118 D C 1.734 178.252 176.300 0.363 0.000 0.978 1118 D CA 1.059 55.205 54.000 0.244 0.000 0.833 1118 D CB 0.115 41.100 40.800 0.309 0.000 0.961 1118 D HN 0.188 nan 8.370 nan 0.000 0.470 1119 M N 0.076 119.852 119.600 0.294 0.000 2.349 1119 M HA 0.125 4.604 4.480 -0.002 0.000 0.266 1119 M C 2.038 178.465 176.300 0.213 0.000 1.076 1119 M CA 0.415 55.867 55.300 0.254 0.000 1.126 1119 M CB -0.618 32.058 32.600 0.128 0.000 1.392 1119 M HN -0.037 nan 8.290 nan 0.000 0.440 1120 A N 0.034 122.969 122.820 0.191 0.000 1.878 1120 A HA -0.040 4.279 4.320 -0.002 0.000 0.213 1120 A C 2.118 179.842 177.584 0.234 0.000 1.192 1120 A CA 0.831 52.984 52.037 0.193 0.000 0.619 1120 A CB -0.698 18.410 19.000 0.180 0.000 0.837 1120 A HN 0.365 nan 8.150 nan 0.000 0.446 1121 L N -0.154 121.205 121.223 0.226 0.000 2.072 1121 L HA -0.049 4.290 4.340 -0.002 0.000 0.205 1121 L C 2.381 179.409 176.870 0.263 0.000 1.079 1121 L CA 2.719 57.715 54.840 0.261 0.000 0.752 1121 L CB -1.093 41.102 42.059 0.227 0.000 0.906 1121 L HN 0.351 nan 8.230 nan 0.000 0.436 1122 T N 0.016 114.736 114.554 0.276 0.000 2.720 1122 T HA -0.192 4.157 4.350 -0.002 0.000 0.268 1122 T C 1.878 176.681 174.700 0.171 0.000 1.037 1122 T CA 1.445 63.729 62.100 0.306 0.000 1.144 1122 T CB -0.491 68.610 68.868 0.388 0.000 0.864 1122 T HN 0.529 nan 8.240 nan 0.000 0.444 1123 A N 0.810 123.744 122.820 0.190 0.000 1.873 1123 A HA 0.035 4.354 4.320 -0.002 0.000 0.215 1123 A C 2.013 179.656 177.584 0.098 0.000 1.186 1123 A CA 1.179 53.289 52.037 0.121 0.000 0.616 1123 A CB -0.991 18.081 19.000 0.120 0.000 0.823 1123 A HN 0.480 nan 8.150 nan 0.000 0.442 1124 F N 0.812 120.781 119.950 0.032 0.000 2.126 1124 F HA -0.189 4.337 4.527 -0.002 0.000 0.299 1124 F C 2.176 177.941 175.800 -0.059 0.000 1.096 1124 F CA 2.143 60.172 58.000 0.049 0.000 1.255 1124 F CB -0.111 38.971 39.000 0.137 0.000 0.997 1124 F HN 0.038 nan 8.300 nan 0.000 0.479 1125 V N 0.089 120.006 119.914 0.005 0.000 2.453 1125 V HA -0.229 3.890 4.120 -0.002 0.000 0.247 1125 V C 2.241 178.097 176.094 -0.397 0.000 1.048 1125 V CA 1.410 63.529 62.300 -0.300 0.000 1.049 1125 V CB -0.696 30.723 31.823 -0.673 0.000 0.672 1125 V HN 0.407 nan 8.190 nan 0.000 0.457 1126 L N 0.265 121.299 121.223 -0.316 0.000 2.042 1126 L HA -0.139 4.200 4.340 -0.002 0.000 0.210 1126 L C 2.157 178.925 176.870 -0.170 0.000 1.076 1126 L CA 1.916 56.638 54.840 -0.196 0.000 0.749 1126 L CB -0.530 41.488 42.059 -0.068 0.000 0.893 1126 L HN 0.235 nan 8.230 nan 0.000 0.432 1127 I N -1.247 119.217 120.570 -0.176 0.000 2.226 1127 I HA -0.274 3.895 4.170 -0.002 0.000 0.245 1127 I C 2.296 178.307 176.117 -0.177 0.000 1.100 1127 I CA 1.306 62.504 61.300 -0.170 0.000 1.374 1127 I CB -0.501 37.451 38.000 -0.081 0.000 1.057 1127 I HN 0.189 nan 8.210 nan 0.000 0.413 1128 S N 0.936 116.486 115.700 -0.251 0.000 2.419 1128 S HA -0.078 4.391 4.470 -0.002 0.000 0.233 1128 S C 1.961 176.471 174.600 -0.149 0.000 1.016 1128 S CA 1.130 59.190 58.200 -0.234 0.000 0.974 1128 S CB -0.247 62.771 63.200 -0.303 0.000 0.786 1128 S HN 0.358 nan 8.310 nan 0.000 0.492 1129 L N 0.938 122.078 121.223 -0.139 0.000 2.095 1129 L HA -0.056 4.283 4.340 -0.002 0.000 0.204 1129 L C 2.593 179.424 176.870 -0.064 0.000 1.080 1129 L CA 1.002 55.793 54.840 -0.081 0.000 0.759 1129 L CB -0.527 41.493 42.059 -0.066 0.000 0.914 1129 L HN 0.313 nan 8.230 nan 0.000 0.439 1130 Q N 0.050 119.799 119.800 -0.086 0.000 2.230 1130 Q HA -0.155 4.184 4.340 -0.002 0.000 0.202 1130 Q C 1.584 177.546 176.000 -0.063 0.000 0.963 1130 Q CA 0.960 56.716 55.803 -0.079 0.000 0.866 1130 Q CB 0.042 28.709 28.738 -0.117 0.000 0.931 1130 Q HN 0.542 nan 8.270 nan 0.000 0.452 1131 E N -0.116 120.046 120.200 -0.063 0.000 2.502 1131 E HA 0.025 4.373 4.350 -0.002 0.000 0.194 1131 E C 0.760 177.346 176.600 -0.023 0.000 1.062 1131 E CA 0.367 56.746 56.400 -0.035 0.000 0.867 1131 E CB 0.361 30.045 29.700 -0.027 0.000 0.888 1131 E HN 0.235 nan 8.360 nan 0.000 0.510 1132 A N 0.647 123.451 122.820 -0.027 0.000 2.571 1132 A HA 0.117 4.436 4.320 -0.002 0.000 0.274 1132 A C 1.566 179.148 177.584 -0.003 0.000 1.196 1132 A CA -0.351 51.681 52.037 -0.008 0.000 0.957 1132 A CB 0.167 19.162 19.000 -0.008 0.000 1.150 1132 A HN -0.023 nan 8.150 nan 0.000 0.539 1133 K N 0.527 120.920 120.400 -0.011 0.000 2.057 1133 K HA -0.156 4.163 4.320 -0.002 0.000 0.206 1133 K C 0.503 177.102 176.600 -0.001 0.000 1.050 1133 K CA 1.731 58.013 56.287 -0.007 0.000 0.935 1133 K CB -0.032 32.457 32.500 -0.018 0.000 0.715 1133 K HN 0.279 nan 8.250 nan 0.000 0.439 1134 D N 0.337 120.737 120.400 -0.001 0.000 2.348 1134 D HA -0.051 4.588 4.640 -0.002 0.000 0.216 1134 D C 1.564 177.869 176.300 0.009 0.000 0.970 1134 D CA 0.780 54.781 54.000 0.003 0.000 0.889 1134 D CB 0.185 40.987 40.800 0.003 0.000 0.912 1134 D HN 0.360 nan 8.370 nan 0.000 0.524 1135 I N -0.793 119.785 120.570 0.013 0.000 2.947 1135 I HA -0.029 4.140 4.170 -0.002 0.000 0.263 1135 I C 0.839 176.971 176.117 0.024 0.000 1.130 1135 I CA 0.350 61.662 61.300 0.021 0.000 1.448 1135 I CB 0.445 38.462 38.000 0.029 0.000 1.222 1135 I HN -0.125 nan 8.210 nan 0.000 0.453 1136 c N 1.812 120.426 118.600 0.024 0.000 2.534 1136 c HA 0.165 4.733 4.570 -0.002 0.000 0.435 1136 c C 1.702 175.805 174.090 0.021 0.000 1.329 1136 c CA -0.272 56.074 56.329 0.027 0.000 1.675 1136 c CB -1.817 40.714 42.510 0.033 0.000 2.384 1136 c HN 0.436 nan 8.230 nan 0.000 0.605 1137 E N 0.505 120.715 120.200 0.017 0.000 2.476 1137 E HA -0.025 4.324 4.350 -0.002 0.000 0.199 1137 E C 1.830 178.438 176.600 0.013 0.000 1.021 1137 E CA 0.423 56.831 56.400 0.013 0.000 0.907 1137 E CB 0.434 30.139 29.700 0.008 0.000 0.974 1137 E HN 0.607 nan 8.360 nan 0.000 0.489 1138 E N -0.034 120.176 120.200 0.016 0.000 2.332 1138 E HA 0.013 4.362 4.350 -0.002 0.000 0.202 1138 E C 1.584 178.195 176.600 0.018 0.000 0.877 1138 E CA 0.686 57.095 56.400 0.015 0.000 0.979 1138 E CB 0.232 29.941 29.700 0.015 0.000 0.969 1138 E HN 0.125 nan 8.360 nan 0.000 0.495 1139 Q N -0.449 119.365 119.800 0.023 0.000 2.250 1139 Q HA 0.174 4.513 4.340 -0.002 0.000 0.200 1139 Q C -0.210 175.807 176.000 0.028 0.000 0.941 1139 Q CA 0.606 56.425 55.803 0.027 0.000 0.872 1139 Q CB 1.098 29.856 28.738 0.033 0.000 0.965 1139 Q HN 0.034 nan 8.270 nan 0.000 0.480 1140 V N 2.696 122.627 119.914 0.029 0.000 2.311 1140 V HA 0.103 4.222 4.120 -0.002 0.000 0.275 1140 V C 0.043 176.150 176.094 0.023 0.000 1.022 1140 V CA -0.440 61.878 62.300 0.030 0.000 0.830 1140 V CB 1.298 33.144 31.823 0.038 0.000 1.012 1140 V HN 0.245 nan 8.190 nan 0.000 0.452 1141 N N 2.497 121.208 118.700 0.019 0.000 2.376 1141 N HA -0.085 4.654 4.740 -0.002 0.000 0.177 1141 N C 1.763 177.281 175.510 0.012 0.000 1.024 1141 N CA 1.201 54.259 53.050 0.014 0.000 0.893 1141 N CB 0.072 38.565 38.487 0.011 0.000 0.980 1141 N HN 0.720 nan 8.380 nan 0.000 0.439 1142 S N -0.067 115.642 115.700 0.015 0.000 2.710 1142 S HA 0.142 4.611 4.470 -0.002 0.000 0.224 1142 S C 1.512 176.125 174.600 0.021 0.000 0.948 1142 S CA -0.349 57.859 58.200 0.013 0.000 0.949 1142 S CB -0.161 63.043 63.200 0.008 0.000 0.778 1142 S HN 0.087 nan 8.310 nan 0.000 0.498 1143 L N 2.439 123.676 121.223 0.023 0.000 2.049 1143 L HA 0.276 4.615 4.340 -0.002 0.000 0.203 1143 L C -1.268 175.615 176.870 0.022 0.000 1.074 1143 L CA 1.333 56.190 54.840 0.028 0.000 0.749 1143 L CB -1.293 40.781 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 1.510 178.815 177.300 0.009 0.000 1.146 1144 P CA 1.654 64.758 63.100 0.007 0.000 0.808 1144 P CB -0.316 31.386 31.700 0.003 0.000 0.779 1145 G N -0.832 107.974 108.800 0.011 0.000 2.394 1145 G HA2 -0.207 3.751 3.960 -0.002 0.000 0.214 1145 G HA3 -0.207 3.751 3.960 -0.002 0.000 0.214 1145 G C 1.845 176.754 174.900 0.016 0.000 1.176 1145 G CA 0.880 45.984 45.100 0.008 0.000 0.786 1145 G HN 0.288 nan 8.290 nan 0.000 0.533 1146 S N 0.260 115.977 115.700 0.028 0.000 2.368 1146 S HA -0.056 4.413 4.470 -0.002 0.000 0.225 1146 S C 2.428 177.077 174.600 0.082 0.000 1.030 1146 S CA 1.032 59.265 58.200 0.056 0.000 0.999 1146 S CB -0.308 62.947 63.200 0.091 0.000 0.844 1146 S HN 0.350 nan 8.310 nan 0.000 0.459 1147 I N 1.060 121.665 120.570 0.059 0.000 2.264 1147 I HA -0.166 4.003 4.170 -0.002 0.000 0.248 1147 I C 2.492 178.630 176.117 0.036 0.000 1.111 1147 I CA 1.507 62.833 61.300 0.043 0.000 1.382 1147 I CB -0.810 37.195 38.000 0.009 0.000 1.060 1147 I HN 0.342 nan 8.210 nan 0.000 0.418 1148 T N 0.568 115.137 114.554 0.025 0.000 2.821 1148 T HA -0.100 4.249 4.350 -0.002 0.000 0.267 1148 T C 1.951 176.673 174.700 0.036 0.000 1.046 1148 T CA 0.859 62.970 62.100 0.019 0.000 1.139 1148 T CB -0.031 68.842 68.868 0.009 0.000 0.871 1148 T HN 0.172 nan 8.240 nan 0.000 0.454 1149 K N 1.841 122.265 120.400 0.040 0.000 1.991 1149 K HA 0.041 4.360 4.320 -0.002 0.000 0.212 1149 K C 2.666 179.321 176.600 0.091 0.000 1.049 1149 K CA 1.525 57.838 56.287 0.043 0.000 0.932 1149 K CB -1.057 31.447 32.500 0.006 0.000 0.717 1149 K HN 0.354 nan 8.250 nan 0.000 0.441 1150 A N 1.075 123.972 122.820 0.128 0.000 1.978 1150 A HA -0.117 4.201 4.320 -0.002 0.000 0.220 1150 A C 2.478 180.175 177.584 0.188 0.000 1.170 1150 A CA 2.230 54.393 52.037 0.210 0.000 0.636 1150 A CB -1.119 18.059 19.000 0.296 0.000 0.810 1150 A HN 0.441 nan 8.150 nan 0.000 0.448 1151 G N -0.361 108.503 108.800 0.105 0.000 2.408 1151 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.217 1151 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.217 1151 G C 1.056 175.991 174.900 0.059 0.000 1.150 1151 G CA 1.141 46.274 45.100 0.054 0.000 0.776 1151 G HN 0.476 nan 8.290 nan 0.000 0.542 1152 D N -0.175 120.273 120.400 0.081 0.000 2.178 1152 D HA -0.072 4.567 4.640 -0.002 0.000 0.202 1152 D C 1.833 178.203 176.300 0.116 0.000 0.974 1152 D CA 0.365 54.409 54.000 0.074 0.000 0.841 1152 D CB -0.261 40.582 40.800 0.071 0.000 0.953 1152 D HN 0.348 nan 8.370 nan 0.000 0.478 1153 F N 0.900 120.866 119.950 0.025 0.000 2.234 1153 F HA 0.053 4.579 4.527 -0.002 0.000 0.296 1153 F C 1.897 177.730 175.800 0.055 0.000 1.089 1153 F CA 0.780 58.803 58.000 0.038 0.000 1.343 1153 F CB -0.086 38.941 39.000 0.045 0.000 1.040 1153 F HN -0.148 nan 8.300 nan 0.000 0.498 1154 L N 0.011 121.258 121.223 0.040 0.000 2.217 1154 L HA -0.109 4.230 4.340 -0.002 0.000 0.211 1154 L C 2.182 179.025 176.870 -0.045 0.000 1.107 1154 L CA 1.351 56.175 54.840 -0.027 0.000 0.783 1154 L CB -0.650 41.459 42.059 0.084 0.000 0.919 1154 L HN 0.225 nan 8.230 nan 0.000 0.442 1155 E N 0.367 120.535 120.200 -0.053 0.000 2.481 1155 E HA -0.060 4.289 4.350 -0.002 0.000 0.195 1155 E C 1.886 178.461 176.600 -0.040 0.000 1.047 1155 E CA 0.602 56.971 56.400 -0.053 0.000 0.867 1155 E CB 0.279 29.944 29.700 -0.058 0.000 0.858 1155 E HN 0.430 nan 8.360 nan 0.000 0.513 1156 A N 0.542 123.306 122.820 -0.094 0.000 2.169 1156 A HA 0.100 4.419 4.320 -0.002 0.000 0.210 1156 A C 1.139 178.650 177.584 -0.122 0.000 1.168 1156 A CA 0.085 52.064 52.037 -0.097 0.000 0.813 1156 A CB 0.320 19.259 19.000 -0.102 0.000 0.861 1156 A HN 0.114 nan 8.150 nan 0.000 0.481 1157 N N -1.770 116.823 118.700 -0.178 0.000 2.299 1157 N HA 0.130 4.869 4.740 -0.002 0.000 0.246 1157 N C 0.220 175.698 175.510 -0.053 0.000 1.254 1157 N CA -0.135 52.821 53.050 -0.157 0.000 0.879 1157 N CB 0.132 38.435 38.487 -0.307 0.000 1.214 1157 N HN 0.505 nan 8.380 nan 0.000 0.510 1158 Y N 0.906 121.144 120.300 -0.104 0.000 2.519 1158 Y HA 0.166 4.715 4.550 -0.002 0.000 0.287 1158 Y C 1.615 177.503 175.900 -0.019 0.000 1.128 1158 Y CA 0.925 58.995 58.100 -0.050 0.000 1.282 1158 Y CB 0.393 38.828 38.460 -0.041 0.000 1.027 1158 Y HN -0.079 nan 8.280 nan 0.000 0.551 1159 M N -0.390 119.238 119.600 0.047 0.000 2.495 1159 M HA 0.066 4.545 4.480 -0.002 0.000 0.237 1159 M C 0.379 176.655 176.300 -0.040 0.000 1.131 1159 M CA 0.560 55.866 55.300 0.011 0.000 1.032 1159 M CB -0.368 32.255 32.600 0.040 0.000 1.513 1159 M HN 0.249 nan 8.290 nan 0.000 0.488 1160 N N 0.270 118.933 118.700 -0.063 0.000 2.250 1160 N HA 0.242 4.981 4.740 -0.002 0.000 0.190 1160 N C 0.412 175.878 175.510 -0.073 0.000 1.116 1160 N CA 0.067 53.083 53.050 -0.057 0.000 0.881 1160 N CB 0.761 39.220 38.487 -0.046 0.000 1.006 1160 N HN 0.296 nan 8.380 nan 0.000 0.491 1161 L N 1.041 122.191 121.223 -0.121 0.000 2.483 1161 L HA -0.008 4.331 4.340 -0.002 0.000 0.276 1161 L C 1.435 178.252 176.870 -0.088 0.000 1.213 1161 L CA 0.280 55.048 54.840 -0.120 0.000 0.843 1161 L CB 0.573 42.504 42.059 -0.214 0.000 1.107 1161 L HN 0.024 nan 8.230 nan 0.000 0.487 1162 Q N 1.570 121.340 119.800 -0.050 0.000 2.644 1162 Q HA 0.200 4.539 4.340 -0.002 0.000 0.220 1162 Q C 0.296 176.290 176.000 -0.009 0.000 0.866 1162 Q CA 0.339 56.124 55.803 -0.030 0.000 0.915 1162 Q CB 0.225 28.951 28.738 -0.019 0.000 1.191 1162 Q HN 0.519 nan 8.270 nan 0.000 0.641 1163 R N 1.270 121.777 120.500 0.012 0.000 2.522 1163 R HA 0.123 4.461 4.340 -0.002 0.000 0.284 1163 R C 1.300 177.652 176.300 0.087 0.000 1.032 1163 R CA 0.079 56.210 56.100 0.051 0.000 1.049 1163 R CB 0.389 30.728 30.300 0.066 0.000 0.956 1163 R HN 0.107 nan 8.270 nan 0.000 0.422 1164 S N 2.025 117.796 115.700 0.118 0.000 2.419 1164 S HA -0.198 4.271 4.470 -0.002 0.000 0.233 1164 S C 1.448 176.193 174.600 0.241 0.000 1.016 1164 S CA 1.054 59.366 58.200 0.186 0.000 0.974 1164 S CB -0.266 63.039 63.200 0.175 0.000 0.786 1164 S HN 0.653 nan 8.310 nan 0.000 0.492 1165 Y N 2.672 123.032 120.300 0.100 0.000 2.070 1165 Y HA -0.235 4.313 4.550 -0.002 0.000 0.279 1165 Y C 2.627 178.548 175.900 0.034 0.000 1.134 1165 Y CA 2.121 60.267 58.100 0.077 0.000 1.113 1165 Y CB -1.030 37.452 38.460 0.035 0.000 0.981 1165 Y HN 0.156 nan 8.280 nan 0.000 0.487 1166 T N -0.035 114.634 114.554 0.191 0.000 2.737 1166 T HA -0.210 4.139 4.350 -0.002 0.000 0.269 1166 T C 2.002 176.699 174.700 -0.005 0.000 1.040 1166 T CA 1.702 63.846 62.100 0.074 0.000 1.142 1166 T CB -0.783 68.146 68.868 0.102 0.000 0.861 1166 T HN 0.252 nan 8.240 nan 0.000 0.456 1167 V N 1.413 121.329 119.914 0.004 0.000 2.469 1167 V HA -0.181 3.938 4.120 -0.002 0.000 0.251 1167 V C 2.753 178.971 176.094 0.208 0.000 1.064 1167 V CA 1.680 63.983 62.300 0.004 0.000 1.066 1167 V CB -1.131 30.710 31.823 0.031 0.000 0.667 1167 V HN 0.555 nan 8.190 nan 0.000 0.461 1168 A N -0.199 122.648 122.820 0.046 0.000 1.843 1168 A HA -0.088 4.231 4.320 -0.002 0.000 0.213 1168 A C 2.230 179.803 177.584 -0.019 0.000 1.202 1168 A CA 1.571 53.598 52.037 -0.016 0.000 0.607 1168 A CB -0.519 18.315 19.000 -0.277 0.000 0.847 1168 A HN 0.442 nan 8.150 nan 0.000 0.445 1169 I N -0.518 119.877 120.570 -0.292 0.000 2.335 1169 I HA -0.243 3.926 4.170 -0.002 0.000 0.251 1169 I C 2.438 178.524 176.117 -0.053 0.000 1.129 1169 I CA 1.361 62.411 61.300 -0.417 0.000 1.402 1169 I CB -0.056 37.509 38.000 -0.725 0.000 1.069 1169 I HN 0.333 nan 8.210 nan 0.000 0.424 1170 A N 0.254 123.106 122.820 0.053 0.000 1.903 1170 A HA 0.043 4.362 4.320 -0.002 0.000 0.213 1170 A C 2.336 179.979 177.584 0.099 0.000 1.185 1170 A CA 1.089 53.215 52.037 0.148 0.000 0.628 1170 A CB -1.295 17.878 19.000 0.289 0.000 0.830 1170 A HN 0.472 nan 8.150 nan 0.000 0.446 1171 G N -1.403 107.504 108.800 0.177 0.000 2.422 1171 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.218 1171 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.218 1171 G C 1.519 176.245 174.900 -0.291 0.000 1.146 1171 G CA 1.331 46.314 45.100 -0.195 0.000 0.769 1171 G HN 0.584 nan 8.290 nan 0.000 0.547 1172 Y N 2.025 122.200 120.300 -0.208 0.000 2.373 1172 Y HA 0.211 4.760 4.550 -0.002 0.000 0.293 1172 Y C 2.677 178.513 175.900 -0.106 0.000 1.129 1172 Y CA 0.638 58.652 58.100 -0.143 0.000 1.226 1172 Y CB -0.281 38.202 38.460 0.038 0.000 1.000 1172 Y HN 0.232 nan 8.280 nan 0.000 0.549 1173 A N 0.083 122.773 122.820 -0.218 0.000 1.929 1173 A HA -0.041 4.278 4.320 -0.002 0.000 0.216 1173 A C 2.175 179.604 177.584 -0.257 0.000 1.176 1173 A CA 1.493 53.367 52.037 -0.272 0.000 0.628 1173 A CB -0.863 18.072 19.000 -0.108 0.000 0.816 1173 A HN 0.500 nan 8.150 nan 0.000 0.444 1174 L N -1.014 120.059 121.223 -0.251 0.000 2.240 1174 L HA -0.031 4.308 4.340 -0.002 0.000 0.211 1174 L C 2.944 179.654 176.870 -0.266 0.000 1.106 1174 L CA 0.716 55.401 54.840 -0.259 0.000 0.793 1174 L CB -0.464 41.388 42.059 -0.344 0.000 0.927 1174 L HN 0.403 nan 8.230 nan 0.000 0.446 1175 A N -0.157 122.482 122.820 -0.301 0.000 1.930 1175 A HA -0.211 4.107 4.320 -0.002 0.000 0.217 1175 A C 2.146 179.604 177.584 -0.210 0.000 1.175 1175 A CA 1.218 53.100 52.037 -0.257 0.000 0.627 1175 A CB -0.370 18.485 19.000 -0.243 0.000 0.815 1175 A HN 0.458 nan 8.150 nan 0.000 0.443 1176 Q N -1.187 118.452 119.800 -0.269 0.000 2.500 1176 Q HA 0.068 4.407 4.340 -0.002 0.000 0.213 1176 Q C 1.449 177.355 176.000 -0.157 0.000 0.974 1176 Q CA 0.892 56.559 55.803 -0.227 0.000 0.918 1176 Q CB -0.128 28.418 28.738 -0.321 0.000 0.980 1176 Q HN 0.746 nan 8.270 nan 0.000 0.505 1177 M N -2.193 117.315 119.600 -0.153 0.000 2.331 1177 M HA 0.210 4.689 4.480 -0.002 0.000 0.266 1177 M C 0.949 177.189 176.300 -0.100 0.000 1.055 1177 M CA 0.473 55.706 55.300 -0.112 0.000 1.048 1177 M CB 1.106 33.642 32.600 -0.107 0.000 1.460 1177 M HN 0.247 nan 8.290 nan 0.000 0.519 1178 G N 2.030 110.760 108.800 -0.117 0.000 2.143 1178 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.248 1178 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.248 1178 G C 0.511 175.347 174.900 -0.106 0.000 0.991 1178 G CA 0.150 45.188 45.100 -0.103 0.000 0.689 1178 G HN 0.514 nan 8.290 nan 0.000 0.522 1179 R N -0.935 119.488 120.500 -0.129 0.000 2.480 1179 R HA 0.349 4.688 4.340 -0.002 0.000 0.277 1179 R C 0.444 176.640 176.300 -0.173 0.000 1.008 1179 R CA -0.305 55.719 56.100 -0.127 0.000 1.090 1179 R CB 0.323 30.554 30.300 -0.115 0.000 1.234 1179 R HN 0.268 nan 8.270 nan 0.000 0.549 1180 L N 1.623 122.729 121.223 -0.194 0.000 2.589 1180 L HA 0.308 4.647 4.340 -0.002 0.000 0.244 1180 L C -0.786 175.990 176.870 -0.157 0.000 1.159 1180 L CA 0.027 54.721 54.840 -0.243 0.000 1.074 1180 L CB -0.077 41.783 42.059 -0.331 0.000 1.391 1180 L HN -0.074 nan 8.230 nan 0.000 0.423 1181 K N 0.986 121.318 120.400 -0.113 0.000 2.433 1181 K HA 0.872 5.191 4.320 -0.002 0.000 0.252 1181 K C 0.458 177.035 176.600 -0.039 0.000 1.015 1181 K CA -0.620 55.628 56.287 -0.065 0.000 0.860 1181 K CB 1.511 33.979 32.500 -0.054 0.000 1.359 1181 K HN 0.366 nan 8.250 nan 0.000 0.452 1182 G N 0.986 109.775 108.800 -0.018 0.000 2.574 1182 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.286 1182 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.286 1182 G C -1.785 173.124 174.900 0.015 0.000 1.212 1182 G CA 0.148 45.246 45.100 -0.003 0.000 0.979 1182 G HN 0.511 nan 8.290 nan 0.000 0.557 1183 P HA 0.007 nan 4.420 nan 0.000 0.215 1183 P C 2.288 179.643 177.300 0.092 0.000 1.153 1183 P CA 1.603 64.732 63.100 0.048 0.000 0.853 1183 P CB -0.134 31.592 31.700 0.043 0.000 0.788 1184 L N -1.548 119.725 121.223 0.084 0.000 2.083 1184 L HA -0.154 4.185 4.340 -0.002 0.000 0.209 1184 L C 2.340 179.301 176.870 0.151 0.000 1.083 1184 L CA 1.520 56.444 54.840 0.140 0.000 0.752 1184 L CB -1.677 40.334 42.059 -0.081 0.000 0.899 1184 L HN -0.024 nan 8.230 nan 0.000 0.433 1185 L N -0.405 120.854 121.223 0.059 0.000 2.109 1185 L HA -0.125 4.214 4.340 -0.002 0.000 0.207 1185 L C 2.245 179.204 176.870 0.148 0.000 1.086 1185 L CA 1.465 56.354 54.840 0.082 0.000 0.760 1185 L CB -0.830 41.235 42.059 0.011 0.000 0.910 1185 L HN 0.313 nan 8.230 nan 0.000 0.437 1186 N N 0.112 118.873 118.700 0.102 0.000 2.188 1186 N HA -0.244 4.495 4.740 -0.002 0.000 0.184 1186 N C 1.918 177.483 175.510 0.093 0.000 1.018 1186 N CA 1.620 54.713 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 0.457 nan 8.380 nan 0.000 0.426 1187 K N -1.007 119.487 120.400 0.157 0.000 2.103 1187 K HA -0.099 4.219 4.320 -0.002 0.000 0.204 1187 K C 1.953 178.683 176.600 0.217 0.000 1.052 1187 K CA 0.725 57.101 56.287 0.149 0.000 0.945 1187 K CB -0.348 32.240 32.500 0.147 0.000 0.722 1187 K HN 0.184 nan 8.250 nan 0.000 0.443 1188 F N 1.569 121.654 119.950 0.225 0.000 2.216 1188 F HA -0.128 4.398 4.527 -0.002 0.000 0.300 1188 F C 1.405 177.385 175.800 0.299 0.000 1.085 1188 F CA 1.260 59.441 58.000 0.300 0.000 1.326 1188 F CB 0.075 39.233 39.000 0.263 0.000 1.027 1188 F HN -0.030 nan 8.300 nan 0.000 0.497 1189 L N -0.485 120.750 121.223 0.019 0.000 2.162 1189 L HA -0.078 4.261 4.340 -0.002 0.000 0.205 1189 L C 2.518 179.225 176.870 -0.271 0.000 1.086 1189 L CA 1.419 56.096 54.840 -0.272 0.000 0.778 1189 L CB -1.106 40.771 42.059 -0.302 0.000 0.928 1189 L HN 0.229 nan 8.230 nan 0.000 0.446 1190 T N -5.003 109.468 114.554 -0.139 0.000 3.023 1190 T HA -0.088 4.261 4.350 -0.002 0.000 0.266 1190 T C 1.746 176.335 174.700 -0.184 0.000 1.093 1190 T CA 1.129 63.149 62.100 -0.133 0.000 1.129 1190 T CB -0.419 68.409 68.868 -0.068 0.000 0.899 1190 T HN 0.101 nan 8.240 nan 0.000 0.491 1191 T N 2.419 116.869 114.554 -0.174 0.000 2.833 1191 T HA 0.189 4.538 4.350 -0.002 0.000 0.269 1191 T C 1.146 175.547 174.700 -0.499 0.000 1.054 1191 T CA 0.928 62.907 62.100 -0.200 0.000 1.135 1191 T CB -0.663 68.210 68.868 0.007 0.000 0.869 1191 T HN 0.723 nan 8.240 nan 0.000 0.466 1192 A N 2.090 124.351 122.820 -0.932 0.000 2.491 1192 A HA 0.297 4.616 4.320 -0.002 0.000 0.261 1192 A C 0.341 177.534 177.584 -0.651 0.000 1.101 1192 A CA -0.200 51.050 52.037 -1.311 0.000 0.772 1192 A CB -0.056 17.756 19.000 -1.979 0.000 1.043 1192 A HN 0.365 nan 8.150 nan 0.000 0.501 1193 K N 2.468 122.549 120.400 -0.532 0.000 2.322 1193 K HA 0.207 4.526 4.320 -0.002 0.000 0.283 1193 K C -0.555 175.843 176.600 -0.336 0.000 1.042 1193 K CA -0.017 56.067 56.287 -0.339 0.000 0.958 1193 K CB 0.222 32.570 32.500 -0.255 0.000 0.984 1193 K HN 0.738 nan 8.250 nan 0.000 0.473 1194 D N 3.228 123.486 120.400 -0.237 0.000 3.077 1194 D HA -0.192 4.447 4.640 -0.002 0.000 0.217 1194 D C -0.760 175.388 176.300 -0.253 0.000 1.162 1194 D CA 1.286 55.163 54.000 -0.205 0.000 0.943 1194 D CB -0.885 39.802 40.800 -0.188 0.000 1.122 1194 D HN 0.887 nan 8.370 nan 0.000 0.413 1195 K N -1.212 119.020 120.400 -0.281 0.000 3.071 1195 K HA -0.274 4.045 4.320 -0.002 0.000 0.265 1195 K C 0.471 176.740 176.600 -0.553 0.000 1.060 1195 K CA 1.236 57.349 56.287 -0.290 0.000 0.767 1195 K CB -1.444 30.933 32.500 -0.204 0.000 1.241 1195 K HN 0.575 nan 8.250 nan 0.000 0.486 1196 N N -0.619 117.758 118.700 -0.538 0.000 1.938 1196 N HA 0.001 4.740 4.740 -0.002 0.000 0.225 1196 N C -0.403 174.689 175.510 -0.696 0.000 1.400 1196 N CA -0.204 52.550 53.050 -0.493 0.000 0.772 1196 N CB 0.455 38.724 38.487 -0.363 0.000 1.124 1196 N HN 0.458 nan 8.380 nan 0.000 0.513 1197 R N -1.371 118.622 120.500 -0.845 0.000 2.634 1197 R HA 0.292 4.630 4.340 -0.002 0.000 0.263 1197 R C -1.824 174.107 176.300 -0.615 0.000 1.060 1197 R CA -0.771 54.783 56.100 -0.910 0.000 0.898 1197 R CB 0.412 29.618 30.300 -1.824 0.000 1.253 1197 R HN -0.026 nan 8.270 nan 0.000 0.461 1198 W N 3.542 124.643 121.300 -0.331 0.000 2.243 1198 W HA 0.220 4.879 4.660 -0.002 0.000 0.331 1198 W C -0.318 176.158 176.519 -0.072 0.000 0.895 1198 W CA -0.313 56.935 57.345 -0.162 0.000 1.580 1198 W CB 1.182 30.586 29.460 -0.094 0.000 1.568 1198 W HN 0.696 nan 8.180 nan 0.000 0.372 1199 E N 0.894 121.107 120.200 0.021 0.000 2.227 1199 E HA 0.493 4.842 4.350 -0.002 0.000 0.268 1199 E C -0.838 175.819 176.600 0.096 0.000 0.990 1199 E CA -0.690 55.760 56.400 0.084 0.000 0.856 1199 E CB 2.006 31.725 29.700 0.032 0.000 1.159 1199 E HN -0.047 nan 8.360 nan 0.000 0.401 1200 D N 1.529 122.008 120.400 0.133 0.000 2.738 1200 D HA 0.281 4.920 4.640 -0.002 0.000 0.237 1200 D C -2.542 173.816 176.300 0.096 0.000 1.123 1200 D CA -1.922 52.143 54.000 0.108 0.000 0.856 1200 D CB 1.881 42.760 40.800 0.131 0.000 1.552 1200 D HN 0.252 nan 8.370 nan 0.000 0.480 1201 P HA 0.315 nan 4.420 nan 0.000 0.254 1201 P C -0.162 177.181 177.300 0.071 0.000 1.186 1201 P CA 0.524 63.656 63.100 0.053 0.000 0.868 1201 P CB -0.004 31.716 31.700 0.033 0.000 0.856 1202 G N 1.909 110.755 108.800 0.077 0.000 2.764 1202 G HA2 0.222 4.181 3.960 -0.002 0.000 0.678 1202 G HA3 0.222 4.181 3.960 -0.002 0.000 0.678 1202 G C -1.412 173.537 174.900 0.082 0.000 1.341 1202 G CA -1.113 44.035 45.100 0.080 0.000 0.836 1202 G HN 0.410 nan 8.290 nan 0.000 0.632 1203 K N -0.132 120.265 120.400 -0.004 0.000 1.857 1203 K HA -0.162 4.157 4.320 -0.002 0.000 0.673 1203 K C 1.142 177.669 176.600 -0.121 0.000 2.567 1203 K CA 1.370 57.572 56.287 -0.141 0.000 1.857 1203 K CB -0.889 31.347 32.500 -0.440 0.000 2.792 1203 K HN 0.920 nan 8.250 nan 0.000 0.151 1204 Q N 0.099 119.793 119.800 -0.177 0.000 2.387 1204 Q HA 0.081 4.420 4.340 -0.002 0.000 0.212 1204 Q C 1.927 177.818 176.000 -0.182 0.000 0.925 1204 Q CA 0.563 56.289 55.803 -0.128 0.000 0.901 1204 Q CB 0.017 28.686 28.738 -0.115 0.000 1.020 1204 Q HN 0.446 nan 8.270 nan 0.000 0.545 1205 L N 0.509 121.558 121.223 -0.291 0.000 2.051 1205 L HA -0.239 4.100 4.340 -0.002 0.000 0.214 1205 L C 1.676 178.526 176.870 -0.033 0.000 1.076 1205 L CA 1.909 56.603 54.840 -0.243 0.000 0.758 1205 L CB -0.415 41.441 42.059 -0.338 0.000 0.890 1205 L HN 0.189 nan 8.230 nan 0.000 0.433 1206 Y N -0.822 119.503 120.300 0.041 0.000 2.457 1206 Y HA 0.007 4.556 4.550 -0.002 0.000 0.292 1206 Y C 2.384 178.418 175.900 0.224 0.000 1.125 1206 Y CA 0.565 58.716 58.100 0.086 0.000 1.254 1206 Y CB -1.031 37.397 38.460 -0.053 0.000 1.012 1206 Y HN 0.333 nan 8.280 nan 0.000 0.555 1207 N N -0.384 118.482 118.700 0.277 0.000 2.251 1207 N HA -0.073 4.666 4.740 -0.002 0.000 0.181 1207 N C 1.994 177.702 175.510 0.330 0.000 1.019 1207 N CA 1.049 54.280 53.050 0.301 0.000 0.862 1207 N CB -0.625 38.022 38.487 0.265 0.000 0.992 1207 N HN 0.137 nan 8.380 nan 0.000 0.429 1208 V N 1.557 121.580 119.914 0.182 0.000 2.427 1208 V HA -0.148 3.971 4.120 -0.002 0.000 0.248 1208 V C 2.329 178.514 176.094 0.153 0.000 1.051 1208 V CA 1.486 63.845 62.300 0.098 0.000 1.048 1208 V CB -0.432 31.218 31.823 -0.289 0.000 0.666 1208 V HN 0.373 nan 8.190 nan 0.000 0.456 1209 E N 0.483 120.813 120.200 0.217 0.000 2.047 1209 E HA -0.200 4.149 4.350 -0.002 0.000 0.191 1209 E C 2.256 179.100 176.600 0.406 0.000 0.987 1209 E CA 1.308 57.912 56.400 0.341 0.000 0.799 1209 E CB -0.212 29.787 29.700 0.498 0.000 0.752 1209 E HN 0.537 nan 8.360 nan 0.000 0.449 1210 A N 0.334 123.387 122.820 0.388 0.000 1.902 1210 A HA -0.164 4.154 4.320 -0.002 0.000 0.217 1210 A C 2.380 180.052 177.584 0.146 0.000 1.181 1210 A CA 2.047 54.202 52.037 0.197 0.000 0.623 1210 A CB -0.953 18.223 19.000 0.292 0.000 0.818 1210 A HN 0.345 nan 8.150 nan 0.000 0.443 1211 T N 0.009 114.706 114.554 0.239 0.000 2.821 1211 T HA -0.085 4.264 4.350 -0.002 0.000 0.267 1211 T C 2.225 176.978 174.700 0.087 0.000 1.046 1211 T CA 1.562 63.799 62.100 0.229 0.000 1.139 1211 T CB -0.258 68.860 68.868 0.417 0.000 0.871 1211 T HN 0.490 nan 8.240 nan 0.000 0.454 1212 S N 0.472 116.222 115.700 0.083 0.000 2.368 1212 S HA -0.071 4.398 4.470 -0.002 0.000 0.225 1212 S C 1.738 176.223 174.600 -0.193 0.000 1.030 1212 S CA 0.978 59.146 58.200 -0.054 0.000 0.999 1212 S CB -0.488 62.659 63.200 -0.089 0.000 0.844 1212 S HN 0.526 nan 8.310 nan 0.000 0.459 1213 Y N 1.783 121.968 120.300 -0.191 0.000 2.165 1213 Y HA -0.160 4.389 4.550 -0.002 0.000 0.286 1213 Y C 2.672 178.381 175.900 -0.318 0.000 1.155 1213 Y CA 0.943 58.856 58.100 -0.311 0.000 1.164 1213 Y CB -0.669 37.673 38.460 -0.196 0.000 0.978 1213 Y HN 0.277 nan 8.280 nan 0.000 0.513 1214 A N -0.440 122.261 122.820 -0.199 0.000 1.933 1214 A HA -0.179 4.140 4.320 -0.002 0.000 0.218 1214 A C 2.146 179.643 177.584 -0.144 0.000 1.175 1214 A CA 1.591 53.409 52.037 -0.365 0.000 0.628 1214 A CB -1.013 16.993 19.000 -1.656 0.000 0.814 1214 A HN 0.432 nan 8.150 nan 0.000 0.444 1215 L N -0.165 120.979 121.223 -0.130 0.000 2.046 1215 L HA -0.087 4.252 4.340 -0.002 0.000 0.208 1215 L C 2.199 179.051 176.870 -0.031 0.000 1.077 1215 L CA 1.679 56.510 54.840 -0.015 0.000 0.747 1215 L CB -0.572 41.484 42.059 -0.004 0.000 0.896 1215 L HN 0.393 nan 8.230 nan 0.000 0.432 1216 L N -0.657 120.459 121.223 -0.178 0.000 2.191 1216 L HA -0.155 4.184 4.340 -0.002 0.000 0.212 1216 L C 2.585 179.454 176.870 -0.001 0.000 1.103 1216 L CA 0.996 55.699 54.840 -0.229 0.000 0.769 1216 L CB -0.822 40.762 42.059 -0.791 0.000 0.908 1216 L HN 0.398 nan 8.230 nan 0.000 0.438 1217 A N -0.032 122.810 122.820 0.037 0.000 1.929 1217 A HA -0.080 4.239 4.320 -0.002 0.000 0.216 1217 A C 2.220 179.810 177.584 0.010 0.000 1.176 1217 A CA 1.006 53.092 52.037 0.082 0.000 0.628 1217 A CB -0.417 18.503 19.000 -0.132 0.000 0.816 1217 A HN 0.330 nan 8.150 nan 0.000 0.444 1218 L N -0.580 120.694 121.223 0.086 0.000 2.027 1218 L HA -0.123 4.216 4.340 -0.002 0.000 0.206 1218 L C 2.416 179.251 176.870 -0.057 0.000 1.074 1218 L CA 0.962 55.850 54.840 0.080 0.000 0.745 1218 L CB -0.600 41.573 42.059 0.190 0.000 0.898 1218 L HN 0.334 nan 8.230 nan 0.000 0.433 1219 L N -0.459 120.752 121.223 -0.021 0.000 2.265 1219 L HA -0.222 4.117 4.340 -0.002 0.000 0.215 1219 L C 2.579 179.415 176.870 -0.057 0.000 1.117 1219 L CA 0.800 55.607 54.840 -0.054 0.000 0.782 1219 L CB -0.381 41.730 42.059 0.086 0.000 0.914 1219 L HN 0.327 nan 8.230 nan 0.000 0.441 1220 Q N 0.510 120.303 119.800 -0.013 0.000 2.096 1220 Q HA -0.076 4.263 4.340 -0.002 0.000 0.197 1220 Q C 2.080 178.041 176.000 -0.066 0.000 0.964 1220 Q CA 1.311 57.108 55.803 -0.010 0.000 0.838 1220 Q CB -0.058 28.695 28.738 0.024 0.000 0.906 1220 Q HN 0.468 nan 8.270 nan 0.000 0.444 1221 L N 0.230 121.395 121.223 -0.097 0.000 2.478 1221 L HA 0.038 4.377 4.340 -0.002 0.000 0.223 1221 L C 0.261 177.046 176.870 -0.142 0.000 1.140 1221 L CA 0.474 55.251 54.840 -0.105 0.000 0.842 1221 L CB -0.191 41.812 42.059 -0.093 0.000 0.953 1221 L HN 0.215 nan 8.230 nan 0.000 0.452 1222 K N -0.162 120.079 120.400 -0.266 0.000 3.129 1222 K HA -0.220 4.099 4.320 -0.002 0.000 0.273 1222 K C -0.061 176.206 176.600 -0.556 0.000 1.123 1222 K CA 0.753 56.743 56.287 -0.494 0.000 0.800 1222 K CB -1.407 31.048 32.500 -0.075 0.000 1.238 1222 K HN 0.196 nan 8.250 nan 0.000 0.492 1223 D N 0.529 120.670 120.400 -0.433 0.000 2.522 1223 D HA 0.137 4.776 4.640 -0.002 0.000 0.218 1223 D C -0.002 176.210 176.300 -0.147 0.000 1.149 1223 D CA -0.554 53.344 54.000 -0.170 0.000 0.981 1223 D CB -0.169 40.622 40.800 -0.015 0.000 1.041 1223 D HN 0.123 nan 8.370 nan 0.000 0.518 1224 F N 0.989 121.015 119.950 0.127 0.000 2.697 1224 F HA 0.158 4.684 4.527 -0.002 0.000 0.297 1224 F C 1.214 177.094 175.800 0.135 0.000 1.203 1224 F CA -0.150 57.931 58.000 0.135 0.000 1.421 1224 F CB 0.232 39.283 39.000 0.084 0.000 1.033 1224 F HN 0.160 nan 8.300 nan 0.000 0.512 1225 D N -1.273 119.280 120.400 0.255 0.000 2.422 1225 D HA -0.002 4.636 4.640 -0.002 0.000 0.218 1225 D C 1.489 177.922 176.300 0.222 0.000 1.047 1225 D CA 0.543 54.672 54.000 0.214 0.000 0.885 1225 D CB -0.117 40.793 40.800 0.185 0.000 1.035 1225 D HN 0.271 nan 8.370 nan 0.000 0.502 1226 F N 0.654 120.663 119.950 0.099 0.000 2.721 1226 F HA 0.112 4.638 4.527 -0.002 0.000 0.301 1226 F C 1.650 177.517 175.800 0.111 0.000 1.096 1226 F CA 0.184 58.239 58.000 0.091 0.000 1.308 1226 F CB 0.474 39.533 39.000 0.098 0.000 1.086 1226 F HN -0.278 nan 8.300 nan 0.000 0.587 1227 V N 1.795 121.847 119.914 0.231 0.000 2.323 1227 V HA -0.134 3.985 4.120 -0.002 0.000 0.244 1227 V C -0.390 175.748 176.094 0.074 0.000 1.041 1227 V CA 1.740 64.155 62.300 0.192 0.000 1.025 1227 V CB -1.696 30.296 31.823 0.282 0.000 0.656 1227 V HN 0.139 nan 8.190 nan 0.000 0.451 1228 P HA -0.142 nan 4.420 nan 0.000 0.216 1228 P C -1.382 175.897 177.300 -0.035 0.000 1.157 1228 P CA 2.117 65.242 63.100 0.042 0.000 0.880 1228 P CB -1.334 30.411 31.700 0.075 0.000 0.791 1229 P HA -0.105 nan 4.420 nan 0.000 0.217 1229 P C 1.612 178.870 177.300 -0.069 0.000 1.150 1229 P CA 1.083 64.105 63.100 -0.130 0.000 0.832 1229 P CB -0.460 31.059 31.700 -0.302 0.000 0.787 1230 V N -0.473 119.398 119.914 -0.071 0.000 2.270 1230 V HA -0.186 3.933 4.120 -0.002 0.000 0.245 1230 V C 2.492 178.652 176.094 0.111 0.000 1.043 1230 V CA 1.696 64.038 62.300 0.071 0.000 1.014 1230 V CB -1.280 30.649 31.823 0.177 0.000 0.645 1230 V HN -0.052 nan 8.190 nan 0.000 0.447 1231 V N 0.129 120.020 119.914 -0.039 0.000 2.287 1231 V HA -0.300 3.819 4.120 -0.002 0.000 0.248 1231 V C 2.582 178.636 176.094 -0.066 0.000 1.053 1231 V CA 2.496 64.696 62.300 -0.166 0.000 1.027 1231 V CB -0.822 30.654 31.823 -0.577 0.000 0.646 1231 V HN 0.493 nan 8.190 nan 0.000 0.447 1232 R N -1.440 119.045 120.500 -0.025 0.000 2.120 1232 R HA -0.245 4.093 4.340 -0.002 0.000 0.234 1232 R C 2.131 178.470 176.300 0.066 0.000 1.123 1232 R CA 2.066 58.174 56.100 0.014 0.000 0.975 1232 R CB -0.335 29.978 30.300 0.022 0.000 0.866 1232 R HN 0.671 nan 8.270 nan 0.000 0.446 1233 W N 0.925 122.185 121.300 -0.067 0.000 2.381 1233 W HA -0.116 4.543 4.660 -0.002 0.000 0.301 1233 W C 1.479 177.972 176.519 -0.043 0.000 1.205 1233 W CA 1.235 58.550 57.345 -0.050 0.000 1.285 1233 W CB -0.282 29.151 29.460 -0.045 0.000 1.133 1233 W HN 0.012 nan 8.180 nan 0.000 0.521 1234 L N 0.852 122.079 121.223 0.006 0.000 2.046 1234 L HA -0.271 4.068 4.340 -0.002 0.000 0.208 1234 L C 2.305 179.041 176.870 -0.224 0.000 1.077 1234 L CA 1.450 56.171 54.840 -0.197 0.000 0.747 1234 L CB -1.117 40.922 42.059 -0.033 0.000 0.896 1234 L HN 0.033 nan 8.230 nan 0.000 0.432 1235 N N 0.396 119.023 118.700 -0.121 0.000 2.120 1235 N HA -0.169 4.570 4.740 -0.002 0.000 0.188 1235 N C 1.360 176.803 175.510 -0.111 0.000 1.024 1235 N CA 1.174 54.178 53.050 -0.078 0.000 0.852 1235 N CB -0.220 38.254 38.487 -0.022 0.000 1.003 1235 N HN 0.413 nan 8.380 nan 0.000 0.424 1236 E N 0.342 120.455 120.200 -0.144 0.000 2.438 1236 E HA -0.044 4.305 4.350 -0.002 0.000 0.192 1236 E C 0.877 177.320 176.600 -0.261 0.000 1.110 1236 E CA 0.053 56.363 56.400 -0.151 0.000 0.893 1236 E CB 0.084 29.726 29.700 -0.098 0.000 0.990 1236 E HN 0.396 nan 8.360 nan 0.000 0.490 1237 Q N 0.141 119.736 119.800 -0.343 0.000 2.140 1237 Q HA 0.130 4.469 4.340 -0.002 0.000 0.227 1237 Q C -0.479 175.343 176.000 -0.297 0.000 0.798 1237 Q CA -0.232 55.328 55.803 -0.404 0.000 0.987 1237 Q CB 0.577 28.890 28.738 -0.708 0.000 1.161 1237 Q HN 0.007 nan 8.270 nan 0.000 0.480 1238 R N 0.942 121.286 120.500 -0.260 0.000 2.884 1238 R HA -0.247 4.091 4.340 -0.002 0.000 0.251 1238 R C -1.478 174.500 176.300 -0.537 0.000 0.870 1238 R CA 0.512 56.382 56.100 -0.383 0.000 0.647 1238 R CB -1.325 28.758 30.300 -0.360 0.000 1.415 1238 R HN 0.261 nan 8.270 nan 0.000 0.513 1239 Y N 1.934 121.943 120.300 -0.485 0.000 2.402 1239 Y HA 0.256 4.805 4.550 -0.002 0.000 0.332 1239 Y C -0.506 175.303 175.900 -0.151 0.000 0.960 1239 Y CA -1.115 56.770 58.100 -0.358 0.000 1.228 1239 Y CB 0.553 38.864 38.460 -0.248 0.000 1.120 1239 Y HN 0.206 nan 8.280 nan 0.000 0.491 1240 Y N 4.701 124.800 120.300 -0.335 0.000 2.645 1240 Y HA 0.398 4.947 4.550 -0.002 0.000 0.307 1240 Y C 1.347 177.198 175.900 -0.082 0.000 1.151 1240 Y CA -0.640 57.431 58.100 -0.048 0.000 1.291 1240 Y CB -0.303 38.230 38.460 0.121 0.000 1.135 1240 Y HN 0.862 nan 8.280 nan 0.000 0.523 1241 G N 0.384 108.793 108.800 -0.651 0.000 2.633 1241 G HA2 0.142 4.101 3.960 -0.002 0.000 0.263 1241 G HA3 0.142 4.101 3.960 -0.002 0.000 0.263 1241 G C 0.344 175.235 174.900 -0.015 0.000 1.310 1241 G CA 0.255 45.159 45.100 -0.328 0.000 0.914 1241 G HN 1.317 nan 8.290 nan 0.000 0.569 1242 G N -2.351 106.551 108.800 0.169 0.000 2.785 1242 G HA2 0.504 4.463 3.960 -0.002 0.000 0.685 1242 G HA3 0.504 4.463 3.960 -0.002 0.000 0.685 1242 G C 1.197 176.177 174.900 0.134 0.000 1.480 1242 G CA 0.602 45.828 45.100 0.209 0.000 0.915 1242 G HN 3.274 nan 8.290 nan 0.000 0.576 1243 G N -0.495 108.384 108.800 0.132 0.000 2.352 1243 G HA2 0.449 4.408 3.960 -0.002 0.000 0.324 1243 G HA3 0.449 4.408 3.960 -0.002 0.000 0.324 1243 G C -0.470 174.533 174.900 0.171 0.000 1.249 1243 G CA 0.139 45.321 45.100 0.137 0.000 1.053 1243 G HN 2.282 nan 8.290 nan 0.000 0.492 1244 Y N 1.591 121.928 120.300 0.062 0.000 2.350 1244 Y HA 0.465 5.014 4.550 -0.002 0.000 0.340 1244 Y C 1.235 177.170 175.900 0.058 0.000 1.006 1244 Y CA 0.916 59.048 58.100 0.054 0.000 1.166 1244 Y CB 1.053 39.536 38.460 0.039 0.000 1.168 1244 Y HN 2.425 nan 8.280 nan 0.000 0.502 1245 G N 3.341 111.813 108.800 -0.546 0.000 2.153 1245 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.252 1245 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.252 1245 G C 0.616 175.457 174.900 -0.098 0.000 0.994 1245 G CA 0.701 45.542 45.100 -0.431 0.000 0.698 1245 G HN 1.194 nan 8.290 nan 0.000 0.521 1246 S N -1.140 114.571 115.700 0.018 0.000 2.614 1246 S HA 0.254 4.723 4.470 -0.002 0.000 0.230 1246 S C 1.775 176.498 174.600 0.204 0.000 0.952 1246 S CA 1.082 59.382 58.200 0.166 0.000 0.949 1246 S CB 0.220 63.573 63.200 0.255 0.000 0.786 1246 S HN 0.346 nan 8.310 nan 0.000 0.478 1247 T N 2.603 117.235 114.554 0.131 0.000 2.720 1247 T HA -0.101 4.248 4.350 -0.002 0.000 0.268 1247 T C 1.875 176.757 174.700 0.302 0.000 1.037 1247 T CA 1.458 63.664 62.100 0.177 0.000 1.144 1247 T CB -0.198 68.708 68.868 0.064 0.000 0.864 1247 T HN 0.391 nan 8.240 nan 0.000 0.444 1248 Q N 0.346 120.326 119.800 0.299 0.000 2.163 1248 Q HA 0.235 4.574 4.340 -0.002 0.000 0.198 1248 Q C 2.669 178.912 176.000 0.405 0.000 0.954 1248 Q CA 1.078 57.135 55.803 0.424 0.000 0.851 1248 Q CB -0.477 28.524 28.738 0.438 0.000 0.928 1248 Q HN 0.555 nan 8.270 nan 0.000 0.459 1249 A N 0.318 123.331 122.820 0.321 0.000 2.014 1249 A HA -0.086 4.233 4.320 -0.002 0.000 0.218 1249 A C 2.163 179.980 177.584 0.388 0.000 1.163 1249 A CA 1.598 53.788 52.037 0.255 0.000 0.652 1249 A CB -0.352 18.694 19.000 0.077 0.000 0.808 1249 A HN 0.301 nan 8.150 nan 0.000 0.449 1250 T N -1.332 113.499 114.554 0.462 0.000 2.814 1250 T HA -0.008 4.341 4.350 -0.002 0.000 0.254 1250 T C 1.581 176.583 174.700 0.503 0.000 1.037 1250 T CA 1.254 63.665 62.100 0.519 0.000 1.143 1250 T CB -0.351 68.771 68.868 0.423 0.000 0.866 1250 T HN 0.457 nan 8.240 nan 0.000 0.431 1251 F N 1.242 121.371 119.950 0.299 0.000 2.293 1251 F HA 0.011 4.537 4.527 -0.002 0.000 0.300 1251 F C 1.954 177.844 175.800 0.150 0.000 1.086 1251 F CA 0.922 59.057 58.000 0.226 0.000 1.375 1251 F CB -0.181 38.955 39.000 0.226 0.000 1.045 1251 F HN 0.009 nan 8.300 nan 0.000 0.516 1252 M N -1.269 118.443 119.600 0.185 0.000 2.357 1252 M HA 0.011 4.490 4.480 -0.002 0.000 0.266 1252 M C 2.376 178.607 176.300 -0.115 0.000 1.095 1252 M CA 0.737 56.005 55.300 -0.054 0.000 1.156 1252 M CB -1.200 31.375 32.600 -0.041 0.000 1.365 1252 M HN 0.107 nan 8.290 nan 0.000 0.447 1253 V N 0.076 119.959 119.914 -0.051 0.000 2.515 1253 V HA -0.206 3.913 4.120 -0.002 0.000 0.250 1253 V C 1.871 177.785 176.094 -0.300 0.000 1.058 1253 V CA 1.686 63.874 62.300 -0.186 0.000 1.064 1253 V CB -0.367 31.319 31.823 -0.228 0.000 0.675 1253 V HN 0.253 nan 8.190 nan 0.000 0.461 1254 F N -0.307 119.594 119.950 -0.081 0.000 2.569 1254 F HA 0.078 4.604 4.527 -0.002 0.000 0.295 1254 F C 2.360 178.160 175.800 0.001 0.000 1.115 1254 F CA 1.250 59.174 58.000 -0.128 0.000 1.450 1254 F CB -0.264 38.620 39.000 -0.195 0.000 1.107 1254 F HN 0.186 nan 8.300 nan 0.000 0.563 1255 Q N 0.445 120.243 119.800 -0.003 0.000 2.187 1255 Q HA -0.079 4.260 4.340 -0.002 0.000 0.199 1255 Q C 2.196 178.186 176.000 -0.016 0.000 0.957 1255 Q CA 1.264 57.010 55.803 -0.095 0.000 0.857 1255 Q CB -0.023 28.459 28.738 -0.427 0.000 0.929 1255 Q HN 0.353 nan 8.270 nan 0.000 0.453 1256 A N 0.553 123.338 122.820 -0.058 0.000 1.903 1256 A HA -0.003 4.315 4.320 -0.002 0.000 0.213 1256 A C 1.956 179.595 177.584 0.091 0.000 1.185 1256 A CA 0.558 52.572 52.037 -0.039 0.000 0.628 1256 A CB -0.416 18.517 19.000 -0.111 0.000 0.830 1256 A HN 0.398 nan 8.150 nan 0.000 0.446 1257 L N -0.716 120.580 121.223 0.122 0.000 2.217 1257 L HA -0.100 4.239 4.340 -0.002 0.000 0.211 1257 L C 2.935 180.045 176.870 0.399 0.000 1.107 1257 L CA 0.880 55.869 54.840 0.248 0.000 0.783 1257 L CB -0.469 41.704 42.059 0.191 0.000 0.919 1257 L HN 0.432 nan 8.230 nan 0.000 0.442 1258 A N -0.400 122.662 122.820 0.403 0.000 1.968 1258 A HA -0.213 4.106 4.320 -0.002 0.000 0.217 1258 A C 2.213 179.853 177.584 0.093 0.000 1.169 1258 A CA 1.280 53.430 52.037 0.188 0.000 0.638 1258 A CB -0.302 18.819 19.000 0.202 0.000 0.812 1258 A HN 0.343 nan 8.150 nan 0.000 0.446 1259 Q N -1.553 118.338 119.800 0.151 0.000 2.172 1259 Q HA -0.139 4.200 4.340 -0.002 0.000 0.200 1259 Q C 1.675 177.757 176.000 0.138 0.000 0.964 1259 Q CA 1.709 57.583 55.803 0.118 0.000 0.855 1259 Q CB -0.569 28.232 28.738 0.105 0.000 0.918 1259 Q HN 0.741 nan 8.270 nan 0.000 0.444 1260 Y N -0.021 120.320 120.300 0.069 0.000 2.352 1260 Y HA -0.093 4.456 4.550 -0.002 0.000 0.292 1260 Y C 1.517 177.450 175.900 0.054 0.000 1.136 1260 Y CA 1.238 59.390 58.100 0.088 0.000 1.227 1260 Y CB 0.269 38.788 38.460 0.098 0.000 0.991 1260 Y HN 0.132 nan 8.280 nan 0.000 0.545 1261 Q N 0.377 120.172 119.800 -0.008 0.000 2.472 1261 Q HA -0.050 4.289 4.340 -0.002 0.000 0.208 1261 Q C 1.399 177.299 176.000 -0.166 0.000 0.958 1261 Q CA 0.950 56.676 55.803 -0.128 0.000 0.932 1261 Q CB 0.127 28.807 28.738 -0.097 0.000 1.007 1261 Q HN 0.595 nan 8.270 nan 0.000 0.508 1262 K N -0.072 120.253 120.400 -0.125 0.000 2.287 1262 K HA 0.023 4.342 4.320 -0.002 0.000 0.199 1262 K C 0.550 177.080 176.600 -0.117 0.000 1.061 1262 K CA 0.451 56.674 56.287 -0.106 0.000 0.976 1262 K CB 0.499 32.966 32.500 -0.054 0.000 0.898 1262 K HN -0.008 nan 8.250 nan 0.000 0.492 1263 D N 1.189 121.537 120.400 -0.087 0.000 2.319 1263 D HA 0.053 4.692 4.640 -0.002 0.000 0.230 1263 D C -0.314 175.850 176.300 -0.225 0.000 1.094 1263 D CA 0.196 54.183 54.000 -0.022 0.000 0.856 1263 D CB 0.303 41.245 40.800 0.236 0.000 0.915 1263 D HN 0.102 nan 8.370 nan 0.000 0.517 1264 A N 1.786 124.383 122.820 -0.372 0.000 2.260 1264 A HA 0.507 4.826 4.320 -0.002 0.000 0.312 1264 A C -2.238 175.097 177.584 -0.415 0.000 1.321 1264 A CA -1.193 50.550 52.037 -0.490 0.000 0.928 1264 A CB 0.387 19.019 19.000 -0.614 0.000 1.158 1264 A HN -0.090 nan 8.150 nan 0.000 0.542 1265 P HA 0.295 nan 4.420 nan 0.000 0.274 1265 P C -0.312 176.743 177.300 -0.407 0.000 1.231 1265 P CA -0.237 62.572 63.100 -0.486 0.000 0.790 1265 P CB 0.898 32.267 31.700 -0.552 0.000 0.951 1266 D N -0.773 119.341 120.400 -0.475 0.000 2.216 1266 D HA 0.013 4.652 4.640 -0.002 0.000 0.208 1266 D C 0.674 176.796 176.300 -0.297 0.000 0.960 1266 D CA 1.445 55.251 54.000 -0.322 0.000 0.861 1266 D CB -0.190 40.465 40.800 -0.240 0.000 0.985 1266 D HN 0.653 nan 8.370 nan 0.000 0.493 1267 H N -1.921 116.903 119.070 -0.411 0.000 3.048 1267 H HA 0.556 5.111 4.556 -0.002 0.000 0.296 1267 H C -0.523 174.639 175.328 -0.276 0.000 1.508 1267 H CA -1.182 54.644 56.048 -0.370 0.000 1.250 1267 H CB 0.449 29.803 29.762 -0.681 0.000 1.896 1267 H HN -0.162 nan 8.280 nan 0.000 0.604 1268 Q N -0.338 119.481 119.800 0.033 0.000 2.195 1268 Q HA 0.362 4.701 4.340 -0.002 0.000 0.250 1268 Q C -0.830 175.256 176.000 0.143 0.000 0.988 1268 Q CA -1.119 54.694 55.803 0.018 0.000 0.911 1268 Q CB 1.530 30.286 28.738 0.030 0.000 1.258 1268 Q HN 0.654 nan 8.270 nan 0.000 0.475 1269 E N 0.689 120.934 120.200 0.075 0.000 2.529 1269 E HA -0.025 4.324 4.350 -0.002 0.000 0.259 1269 E C -0.823 175.855 176.600 0.130 0.000 0.966 1269 E CA 0.184 56.648 56.400 0.105 0.000 0.937 1269 E CB 0.462 30.200 29.700 0.063 0.000 0.923 1269 E HN 0.289 nan 8.360 nan 0.000 0.468 1270 L N 4.853 126.174 121.223 0.163 0.000 2.433 1270 L HA 0.283 4.622 4.340 -0.002 0.000 0.256 1270 L C -1.020 175.901 176.870 0.085 0.000 1.063 1270 L CA -0.186 54.738 54.840 0.140 0.000 0.922 1270 L CB 0.559 42.746 42.059 0.213 0.000 1.238 1270 L HN 0.452 nan 8.230 nan 0.000 0.466 1271 N N 4.675 123.386 118.700 0.018 0.000 2.722 1271 N HA 0.280 5.019 4.740 -0.002 0.000 0.242 1271 N C -1.467 173.996 175.510 -0.079 0.000 1.398 1271 N CA -0.219 52.781 53.050 -0.083 0.000 0.755 1271 N CB 0.665 39.147 38.487 -0.009 0.000 1.268 1271 N HN 0.438 nan 8.380 nan 0.000 0.522 1272 L N 0.786 121.953 121.223 -0.094 0.000 2.292 1272 L HA 0.367 4.705 4.340 -0.002 0.000 0.284 1272 L C 0.132 176.972 176.870 -0.050 0.000 1.065 1272 L CA -0.560 54.252 54.840 -0.047 0.000 0.806 1272 L CB 1.170 43.215 42.059 -0.023 0.000 1.175 1272 L HN 0.266 nan 8.230 nan 0.000 0.431 1273 D N 3.194 123.584 120.400 -0.017 0.000 2.540 1273 D HA 0.225 4.864 4.640 -0.002 0.000 0.251 1273 D C -0.663 175.652 176.300 0.025 0.000 1.159 1273 D CA -0.271 53.729 54.000 0.001 0.000 0.974 1273 D CB 0.756 41.559 40.800 0.003 0.000 0.996 1273 D HN 0.014 nan 8.370 nan 0.000 0.512 1274 V N 2.253 122.193 119.914 0.043 0.000 2.461 1274 V HA 0.423 4.542 4.120 -0.002 0.000 0.275 1274 V C 0.417 176.563 176.094 0.085 0.000 1.047 1274 V CA -0.479 61.857 62.300 0.059 0.000 0.955 1274 V CB 1.205 33.060 31.823 0.054 0.000 0.988 1274 V HN 0.580 nan 8.190 nan 0.000 0.471 1275 S N 5.953 121.697 115.700 0.074 0.000 2.647 1275 S HA 0.773 5.242 4.470 -0.002 0.000 0.300 1275 S C -0.925 173.728 174.600 0.088 0.000 1.129 1275 S CA -0.861 57.384 58.200 0.076 0.000 1.029 1275 S CB 1.313 64.542 63.200 0.048 0.000 1.007 1275 S HN 0.706 nan 8.310 nan 0.000 0.484 1276 L N 1.074 122.358 121.223 0.100 0.000 2.313 1276 L HA 0.686 5.025 4.340 -0.002 0.000 0.283 1276 L C -0.329 176.597 176.870 0.094 0.000 1.013 1276 L CA -0.796 54.122 54.840 0.130 0.000 0.816 1276 L CB 1.296 43.437 42.059 0.136 0.000 1.236 1276 L HN 0.803 nan 8.230 nan 0.000 0.419 1277 Q N 3.395 123.268 119.800 0.123 0.000 2.348 1277 Q HA 0.519 4.858 4.340 -0.002 0.000 0.265 1277 Q C -1.589 174.483 176.000 0.119 0.000 0.998 1277 Q CA -0.823 55.031 55.803 0.086 0.000 0.831 1277 Q CB 1.723 30.501 28.738 0.067 0.000 1.251 1277 Q HN 0.700 nan 8.270 nan 0.000 0.456 1278 L N 6.941 128.201 121.223 0.063 0.000 2.325 1278 L HA 0.387 4.726 4.340 -0.002 0.000 0.279 1278 L C -1.461 175.442 176.870 0.054 0.000 1.054 1278 L CA -1.991 52.891 54.840 0.071 0.000 0.804 1278 L CB 0.891 42.938 42.059 -0.021 0.000 1.200 1278 L HN 0.622 nan 8.230 nan 0.000 0.436 1279 P HA -0.120 nan 4.420 nan 0.000 0.220 1279 P C 1.219 178.533 177.300 0.023 0.000 1.148 1279 P CA 0.829 63.954 63.100 0.041 0.000 0.803 1279 P CB 0.448 32.175 31.700 0.045 0.000 0.782 1280 S N -1.282 114.428 115.700 0.017 0.000 2.603 1280 S HA 0.062 4.531 4.470 -0.002 0.000 0.220 1280 S C 0.875 175.473 174.600 -0.004 0.000 0.967 1280 S CA -0.365 57.837 58.200 0.004 0.000 0.920 1280 S CB -0.511 62.688 63.200 -0.002 0.000 0.773 1280 S HN 0.021 nan 8.310 nan 0.000 0.529 1281 R N -0.448 120.051 120.500 -0.001 0.000 2.686 1281 R HA 0.482 4.821 4.340 -0.002 0.000 0.286 1281 R C 0.644 176.943 176.300 -0.001 0.000 0.969 1281 R CA -0.262 55.834 56.100 -0.007 0.000 0.898 1281 R CB 1.348 31.639 30.300 -0.016 0.000 1.183 1281 R HN 0.085 nan 8.270 nan 0.000 0.456 1282 S N 0.206 115.904 115.700 -0.004 0.000 2.377 1282 S HA 0.029 4.498 4.470 -0.002 0.000 0.223 1282 S C 0.274 174.874 174.600 -0.000 0.000 1.030 1282 S CA 0.556 58.755 58.200 -0.001 0.000 0.970 1282 S CB 0.235 63.433 63.200 -0.004 0.000 0.830 1282 S HN 0.575 nan 8.310 nan 0.000 0.473 1283 S N 0.920 116.618 115.700 -0.004 0.000 2.651 1283 S HA 0.422 4.891 4.470 -0.002 0.000 0.291 1283 S C -0.196 174.403 174.600 -0.002 0.000 1.141 1283 S CA -0.795 57.403 58.200 -0.004 0.000 1.027 1283 S CB 1.311 64.505 63.200 -0.010 0.000 1.043 1283 S HN 0.202 nan 8.310 nan 0.000 0.530 1284 K N 0.943 121.343 120.400 0.000 0.000 2.168 1284 K HA 0.351 4.669 4.320 -0.002 0.000 0.258 1284 K C -0.607 175.990 176.600 -0.004 0.000 1.010 1284 K CA -0.406 55.885 56.287 0.007 0.000 0.929 1284 K CB 0.335 32.843 32.500 0.013 0.000 0.998 1284 K HN 0.356 nan 8.250 nan 0.000 0.479 1285 I N 2.895 123.470 120.570 0.008 0.000 2.347 1285 I HA 0.106 4.275 4.170 -0.002 0.000 0.283 1285 I C -0.207 175.923 176.117 0.022 0.000 1.058 1285 I CA -0.207 61.096 61.300 0.005 0.000 1.202 1285 I CB 0.373 38.395 38.000 0.037 0.000 1.386 1285 I HN 0.474 nan 8.210 nan 0.000 0.475 1286 T N 5.669 120.189 114.554 -0.056 0.000 2.767 1286 T HA 0.424 4.773 4.350 -0.002 0.000 0.288 1286 T C -0.028 174.573 174.700 -0.164 0.000 0.963 1286 T CA -0.201 61.872 62.100 -0.045 0.000 1.019 1286 T CB 1.032 69.876 68.868 -0.039 0.000 0.923 1286 T HN 0.328 nan 8.240 nan 0.000 0.468 1287 H N 2.019 121.089 119.070 0.000 0.000 2.797 1287 H HA 0.541 5.095 4.556 -0.002 0.000 0.372 1287 H C -0.168 175.151 175.328 -0.015 0.000 1.168 1287 H CA -0.814 55.233 56.048 -0.002 0.000 1.163 1287 H CB 2.017 31.776 29.762 -0.005 0.000 1.778 1287 H HN 0.343 nan 8.280 nan 0.000 0.551 1288 R N 2.084 122.650 120.500 0.110 0.000 2.483 1288 R HA 0.403 4.742 4.340 -0.002 0.000 0.303 1288 R C -0.708 175.555 176.300 -0.063 0.000 0.987 1288 R CA -0.574 55.519 56.100 -0.012 0.000 0.881 1288 R CB 1.650 31.938 30.300 -0.020 0.000 1.177 1288 R HN 0.444 nan 8.270 nan 0.000 0.451 1289 I N 3.304 123.789 120.570 -0.142 0.000 2.336 1289 I HA 0.323 4.492 4.170 -0.002 0.000 0.292 1289 I C -0.054 175.917 176.117 -0.243 0.000 0.991 1289 I CA -0.640 60.595 61.300 -0.110 0.000 1.227 1289 I CB 1.171 39.140 38.000 -0.051 0.000 1.366 1289 I HN 0.490 nan 8.210 nan 0.000 0.466 1290 H N 3.839 122.931 119.070 0.036 0.000 2.676 1290 H HA 0.147 4.702 4.556 -0.002 0.000 0.352 1290 H C 0.359 175.723 175.328 0.060 0.000 1.193 1290 H CA -0.605 55.484 56.048 0.068 0.000 1.243 1290 H CB 1.672 31.475 29.762 0.069 0.000 1.751 1290 H HN 0.701 nan 8.280 nan 0.000 0.567 1291 W N 1.661 123.000 121.300 0.066 0.000 2.335 1291 W HA -0.208 4.451 4.660 -0.002 0.000 0.311 1291 W C 0.542 177.014 176.519 -0.078 0.000 1.213 1291 W CA 1.992 59.273 57.345 -0.105 0.000 1.274 1291 W CB 0.053 29.348 29.460 -0.275 0.000 1.148 1291 W HN 0.725 nan 8.180 nan 0.000 0.498 1292 E N 0.739 120.782 120.200 -0.263 0.000 2.072 1292 E HA -0.176 4.173 4.350 -0.002 0.000 0.191 1292 E C 2.277 178.715 176.600 -0.269 0.000 0.985 1292 E CA 2.228 58.399 56.400 -0.381 0.000 0.801 1292 E CB -0.759 28.888 29.700 -0.088 0.000 0.750 1292 E HN 0.237 nan 8.360 nan 0.000 0.452 1293 S N -0.159 115.479 115.700 -0.103 0.000 2.671 1293 S HA 0.449 4.918 4.470 -0.002 0.000 0.220 1293 S C 0.901 175.452 174.600 -0.082 0.000 0.951 1293 S CA -0.173 57.993 58.200 -0.058 0.000 0.932 1293 S CB -0.108 63.118 63.200 0.044 0.000 0.777 1293 S HN 0.250 nan 8.310 nan 0.000 0.508 1294 A N 2.101 124.825 122.820 -0.160 0.000 2.325 1294 A HA 0.571 4.890 4.320 -0.002 0.000 0.260 1294 A C 1.280 178.778 177.584 -0.144 0.000 1.133 1294 A CA 0.212 52.163 52.037 -0.145 0.000 0.801 1294 A CB -0.574 18.310 19.000 -0.193 0.000 1.092 1294 A HN 1.743 nan 8.150 nan 0.000 0.504 1295 S N -2.686 112.948 115.700 -0.109 0.000 3.521 1295 S HA -0.169 4.300 4.470 -0.002 0.000 0.362 1295 S C -0.376 174.178 174.600 -0.077 0.000 1.044 1295 S CA 1.175 59.321 58.200 -0.090 0.000 1.091 1295 S CB -2.331 60.803 63.200 -0.109 0.000 0.908 1295 S HN 2.050 nan 8.310 nan 0.000 0.473 1296 L N 0.954 122.137 121.223 -0.067 0.000 2.305 1296 L HA 0.756 5.095 4.340 -0.002 0.000 0.284 1296 L C -0.183 176.655 176.870 -0.054 0.000 1.013 1296 L CA -1.160 53.647 54.840 -0.054 0.000 0.819 1296 L CB 1.337 43.370 42.059 -0.043 0.000 1.227 1296 L HN 0.394 nan 8.230 nan 0.000 0.417 1297 L N 6.253 127.448 121.223 -0.047 0.000 2.565 1297 L HA 0.275 4.614 4.340 -0.002 0.000 0.275 1297 L C -0.007 176.826 176.870 -0.062 0.000 1.137 1297 L CA 0.801 55.611 54.840 -0.049 0.000 0.915 1297 L CB -0.435 41.603 42.059 -0.035 0.000 1.232 1297 L HN 0.573 nan 8.230 nan 0.000 0.473 1298 R N 2.807 123.246 120.500 -0.103 0.000 2.312 1298 R HA 0.431 4.770 4.340 -0.002 0.000 0.310 1298 R C -0.444 175.751 176.300 -0.174 0.000 1.064 1298 R CA -0.360 55.640 56.100 -0.166 0.000 0.983 1298 R CB 0.947 31.054 30.300 -0.322 0.000 1.139 1298 R HN 0.645 nan 8.270 nan 0.000 0.536 1299 S N 1.540 117.183 115.700 -0.096 0.000 2.501 1299 S HA 0.473 4.942 4.470 -0.002 0.000 0.301 1299 S C -0.314 174.258 174.600 -0.047 0.000 1.096 1299 S CA -1.026 57.132 58.200 -0.070 0.000 1.063 1299 S CB 2.341 65.517 63.200 -0.040 0.000 1.042 1299 S HN 0.334 nan 8.310 nan 0.000 0.494 1300 E N 2.073 122.239 120.200 -0.058 0.000 2.185 1300 E HA 0.384 4.733 4.350 -0.002 0.000 0.261 1300 E C -1.016 175.536 176.600 -0.080 0.000 0.879 1300 E CA -0.490 55.879 56.400 -0.052 0.000 0.756 1300 E CB 1.751 31.419 29.700 -0.054 0.000 1.152 1300 E HN 0.721 nan 8.360 nan 0.000 0.416 1301 E N 0.873 121.039 120.200 -0.056 0.000 2.277 1301 E HA 0.509 4.858 4.350 -0.002 0.000 0.274 1301 E C -0.577 175.982 176.600 -0.068 0.000 1.022 1301 E CA -0.414 55.955 56.400 -0.053 0.000 0.853 1301 E CB 1.115 30.799 29.700 -0.026 0.000 1.086 1301 E HN 0.083 nan 8.360 nan 0.000 0.397 1302 T N 2.063 116.577 114.554 -0.066 0.000 3.050 1302 T HA 0.193 4.542 4.350 -0.002 0.000 0.310 1302 T C 0.251 174.931 174.700 -0.035 0.000 0.978 1302 T CA -0.812 61.249 62.100 -0.065 0.000 1.013 1302 T CB 0.769 69.572 68.868 -0.108 0.000 1.000 1302 T HN 0.347 nan 8.240 nan 0.000 0.447 1303 K N 1.185 121.569 120.400 -0.026 0.000 2.574 1303 K HA 0.026 4.345 4.320 -0.002 0.000 0.193 1303 K C 0.771 177.362 176.600 -0.015 0.000 1.035 1303 K CA 0.638 56.915 56.287 -0.017 0.000 0.982 1303 K CB 0.493 32.982 32.500 -0.018 0.000 0.795 1303 K HN 0.535 nan 8.250 nan 0.000 0.491 1304 E N 1.203 121.393 120.200 -0.017 0.000 2.183 1304 E HA 0.094 4.443 4.350 -0.002 0.000 0.271 1304 E C -1.132 175.468 176.600 0.001 0.000 0.919 1304 E CA -0.723 55.670 56.400 -0.011 0.000 0.781 1304 E CB 0.889 30.582 29.700 -0.011 0.000 1.140 1304 E HN -0.116 nan 8.360 nan 0.000 0.402 1305 N N 4.111 122.812 118.700 0.003 0.000 2.602 1305 N HA 0.082 4.821 4.740 -0.002 0.000 0.238 1305 N C -1.249 174.280 175.510 0.032 0.000 1.084 1305 N CA 0.109 53.169 53.050 0.015 0.000 0.952 1305 N CB 0.362 38.840 38.487 -0.014 0.000 1.244 1305 N HN 0.413 nan 8.380 nan 0.000 0.512 1306 E N 0.585 120.830 120.200 0.075 0.000 2.355 1306 E HA 0.505 4.854 4.350 -0.002 0.000 0.261 1306 E C -0.243 176.442 176.600 0.142 0.000 0.943 1306 E CA -1.059 55.394 56.400 0.089 0.000 0.806 1306 E CB 1.312 31.063 29.700 0.086 0.000 1.286 1306 E HN 0.483 nan 8.360 nan 0.000 0.424 1307 G N 1.579 110.433 108.800 0.091 0.000 2.741 1307 G HA2 0.442 4.401 3.960 -0.002 0.000 0.336 1307 G HA3 0.442 4.401 3.960 -0.002 0.000 0.336 1307 G C -0.378 174.555 174.900 0.055 0.000 1.022 1307 G CA -0.382 44.736 45.100 0.030 0.000 1.193 1307 G HN 0.223 nan 8.290 nan 0.000 0.455 1308 F N 1.612 121.558 119.950 -0.006 0.000 2.403 1308 F HA 0.846 5.371 4.527 -0.002 0.000 0.326 1308 F C 0.424 176.224 175.800 -0.001 0.000 1.081 1308 F CA -1.308 56.690 58.000 -0.002 0.000 1.041 1308 F CB 1.185 40.186 39.000 0.000 0.000 1.234 1308 F HN 0.293 nan 8.300 nan 0.000 0.503 1309 T N -0.273 114.334 114.554 0.088 0.000 2.940 1309 T HA 0.785 5.134 4.350 -0.002 0.000 0.288 1309 T C -1.026 173.751 174.700 0.129 0.000 1.033 1309 T CA -0.776 61.322 62.100 -0.004 0.000 1.033 1309 T CB 1.578 70.450 68.868 0.006 0.000 1.079 1309 T HN 0.695 nan 8.240 nan 0.000 0.496 1310 V N 1.591 121.543 119.914 0.063 0.000 2.656 1310 V HA 0.635 4.754 4.120 -0.002 0.000 0.307 1310 V C -0.174 175.954 176.094 0.057 0.000 1.051 1310 V CA -0.753 61.611 62.300 0.106 0.000 0.893 1310 V CB 2.212 34.107 31.823 0.120 0.000 0.999 1310 V HN 1.162 nan 8.190 nan 0.000 0.426 1311 T N 3.813 118.403 114.554 0.060 0.000 2.809 1311 T HA 0.736 5.085 4.350 -0.002 0.000 0.284 1311 T C -0.163 174.561 174.700 0.039 0.000 0.992 1311 T CA -0.261 61.863 62.100 0.040 0.000 0.957 1311 T CB 1.520 70.410 68.868 0.036 0.000 0.942 1311 T HN 0.958 nan 8.240 nan 0.000 0.439 1312 A N 3.155 125.992 122.820 0.030 0.000 2.340 1312 A HA 0.878 5.197 4.320 -0.002 0.000 0.331 1312 A C -0.361 177.235 177.584 0.020 0.000 1.140 1312 A CA -0.657 51.395 52.037 0.026 0.000 0.801 1312 A CB 1.191 20.205 19.000 0.023 0.000 1.234 1312 A HN 0.807 nan 8.150 nan 0.000 0.469 1313 E N 0.573 120.784 120.200 0.018 0.000 2.363 1313 E HA 0.528 4.877 4.350 -0.002 0.000 0.281 1313 E C -0.331 176.276 176.600 0.012 0.000 0.953 1313 E CA 0.124 56.533 56.400 0.016 0.000 0.778 1313 E CB 1.866 31.576 29.700 0.017 0.000 1.220 1313 E HN 2.021 nan 8.360 nan 0.000 0.431 1314 G N 2.254 111.063 108.800 0.015 0.000 2.316 1314 G HA2 0.015 3.974 3.960 -0.002 0.000 0.349 1314 G HA3 0.015 3.974 3.960 -0.002 0.000 0.349 1314 G C -1.681 173.231 174.900 0.020 0.000 1.274 1314 G CA -0.964 44.145 45.100 0.014 0.000 1.018 1314 G HN 0.378 nan 8.290 nan 0.000 0.486 1315 K N 0.345 120.759 120.400 0.025 0.000 2.235 1315 K HA 0.807 5.126 4.320 -0.002 0.000 0.266 1315 K C 0.682 177.305 176.600 0.039 0.000 0.980 1315 K CA 0.708 57.015 56.287 0.034 0.000 0.849 1315 K CB 1.240 33.764 32.500 0.040 0.000 1.098 1315 K HN 2.065 nan 8.250 nan 0.000 0.445 1316 G N 1.009 109.834 108.800 0.041 0.000 2.291 1316 G HA2 0.093 4.052 3.960 -0.002 0.000 0.249 1316 G HA3 0.093 4.052 3.960 -0.002 0.000 0.249 1316 G C -1.768 173.157 174.900 0.041 0.000 1.340 1316 G CA -0.805 44.326 45.100 0.050 0.000 1.017 1316 G HN 0.538 nan 8.290 nan 0.000 0.470 1317 Q N -0.727 119.098 119.800 0.042 0.000 2.386 1317 Q HA 0.582 4.921 4.340 -0.002 0.000 0.274 1317 Q C -0.525 175.490 176.000 0.026 0.000 1.011 1317 Q CA -0.127 55.696 55.803 0.033 0.000 0.867 1317 Q CB 1.710 30.471 28.738 0.038 0.000 1.409 1317 Q HN 1.778 nan 8.270 nan 0.000 0.395 1318 G N 0.664 109.474 108.800 0.016 0.000 2.766 1318 G HA2 0.700 4.658 3.960 -0.002 0.000 0.288 1318 G HA3 0.700 4.658 3.960 -0.002 0.000 0.288 1318 G C -1.407 173.497 174.900 0.006 0.000 1.408 1318 G CA -0.482 44.622 45.100 0.007 0.000 0.852 1318 G HN 0.401 nan 8.290 nan 0.000 0.487 1319 T N 0.556 115.110 114.554 -0.000 0.000 2.812 1319 T HA 0.512 4.861 4.350 -0.002 0.000 0.282 1319 T C -1.094 173.607 174.700 0.001 0.000 0.990 1319 T CA -0.279 61.822 62.100 0.002 0.000 0.960 1319 T CB 1.541 70.409 68.868 -0.001 0.000 0.948 1319 T HN 0.470 nan 8.240 nan 0.000 0.438 1320 L N 3.847 125.076 121.223 0.010 0.000 2.317 1320 L HA 0.837 5.175 4.340 -0.002 0.000 0.281 1320 L C -0.498 176.387 176.870 0.026 0.000 1.024 1320 L CA -0.158 54.694 54.840 0.021 0.000 0.810 1320 L CB 1.501 43.580 42.059 0.033 0.000 1.240 1320 L HN 0.738 nan 8.230 nan 0.000 0.427 1321 S N 3.489 119.210 115.700 0.035 0.000 2.614 1321 S HA 0.754 5.223 4.470 -0.002 0.000 0.275 1321 S C -1.268 173.370 174.600 0.064 0.000 1.161 1321 S CA -0.766 57.457 58.200 0.039 0.000 0.969 1321 S CB 1.270 64.483 63.200 0.023 0.000 1.059 1321 S HN 0.409 nan 8.310 nan 0.000 0.482 1322 V N 3.146 123.108 119.914 0.081 0.000 2.378 1322 V HA 0.630 4.749 4.120 -0.002 0.000 0.288 1322 V C -0.743 175.402 176.094 0.086 0.000 1.016 1322 V CA -0.526 61.845 62.300 0.119 0.000 0.840 1322 V CB 1.454 33.401 31.823 0.207 0.000 0.994 1322 V HN 0.858 nan 8.190 nan 0.000 0.431 1323 V N 4.107 124.066 119.914 0.075 0.000 2.531 1323 V HA 0.557 4.676 4.120 -0.002 0.000 0.301 1323 V C 0.205 176.344 176.094 0.075 0.000 1.034 1323 V CA -0.512 61.829 62.300 0.068 0.000 0.865 1323 V CB 2.438 34.294 31.823 0.055 0.000 0.995 1323 V HN 0.960 nan 8.190 nan 0.000 0.424 1324 T N 3.086 117.692 114.554 0.086 0.000 2.867 1324 T HA 0.800 5.149 4.350 -0.002 0.000 0.282 1324 T C -0.543 174.255 174.700 0.164 0.000 1.000 1324 T CA -0.659 61.499 62.100 0.096 0.000 1.042 1324 T CB 1.253 70.156 68.868 0.058 0.000 0.973 1324 T HN 0.452 nan 8.240 nan 0.000 0.465 1325 M N 3.827 123.531 119.600 0.174 0.000 2.243 1325 M HA 0.589 5.068 4.480 -0.002 0.000 0.324 1325 M C -1.229 175.258 176.300 0.311 0.000 1.031 1325 M CA -0.938 54.493 55.300 0.220 0.000 0.949 1325 M CB 1.715 34.392 32.600 0.128 0.000 1.615 1325 M HN 0.923 nan 8.290 nan 0.000 0.430 1326 Y N -0.746 119.617 120.300 0.105 0.000 2.744 1326 Y HA 0.542 5.091 4.550 -0.002 0.000 0.330 1326 Y C -1.527 174.537 175.900 0.274 0.000 1.263 1326 Y CA -1.472 56.711 58.100 0.137 0.000 1.065 1326 Y CB 1.092 39.594 38.460 0.069 0.000 1.306 1326 Y HN 0.578 nan 8.280 nan 0.000 0.459 1327 H N 1.270 120.261 119.070 -0.131 0.000 2.556 1327 H HA 0.753 5.308 4.556 -0.002 0.000 0.310 1327 H C -0.696 174.474 175.328 -0.264 0.000 1.057 1327 H CA -0.695 55.218 56.048 -0.226 0.000 1.264 1327 H CB 1.421 31.153 29.762 -0.050 0.000 1.404 1327 H HN 0.885 nan 8.280 nan 0.000 0.462 1328 A N 3.222 125.839 122.820 -0.339 0.000 2.310 1328 A HA 0.132 4.451 4.320 -0.002 0.000 0.299 1328 A C 0.803 178.382 177.584 -0.008 0.000 1.147 1328 A CA -0.744 51.209 52.037 -0.140 0.000 0.818 1328 A CB 0.612 19.483 19.000 -0.215 0.000 1.096 1328 A HN 0.811 nan 8.150 nan 0.000 0.495 1329 K N 2.195 122.634 120.400 0.065 0.000 2.968 1329 K HA 0.203 4.522 4.320 -0.002 0.000 0.249 1329 K C 1.396 178.015 176.600 0.031 0.000 1.062 1329 K CA 0.433 56.751 56.287 0.051 0.000 1.215 1329 K CB -0.518 32.022 32.500 0.067 0.000 1.097 1329 K HN 0.782 nan 8.250 nan 0.000 0.462 1330 A N 1.307 124.132 122.820 0.009 0.000 1.903 1330 A HA -0.185 4.134 4.320 -0.002 0.000 0.219 1330 A C 0.462 178.051 177.584 0.008 0.000 1.191 1330 A CA 1.174 53.214 52.037 0.005 0.000 0.638 1330 A CB -0.272 18.717 19.000 -0.018 0.000 0.823 1330 A HN 0.437 nan 8.150 nan 0.000 0.451 1331 K N 1.138 121.541 120.400 0.004 0.000 2.511 1331 K HA 0.089 4.408 4.320 -0.002 0.000 0.277 1331 K C -0.206 176.405 176.600 0.017 0.000 1.025 1331 K CA 0.620 56.912 56.287 0.010 0.000 1.112 1331 K CB -0.091 32.416 32.500 0.011 0.000 0.859 1331 K HN 0.511 nan 8.250 nan 0.000 0.485 1332 D N 1.128 121.539 120.400 0.017 0.000 3.496 1332 D HA -0.199 4.440 4.640 -0.002 0.000 0.238 1332 D C -0.485 175.823 176.300 0.014 0.000 1.707 1332 D CA 0.780 54.788 54.000 0.013 0.000 1.150 1332 D CB -0.487 40.318 40.800 0.008 0.000 0.759 1332 D HN 0.569 nan 8.370 nan 0.000 0.936 1333 Q N 0.231 120.037 119.800 0.010 0.000 2.394 1333 Q HA 0.280 4.619 4.340 -0.002 0.000 0.347 1333 Q C 0.655 176.665 176.000 0.018 0.000 1.144 1333 Q CA 0.842 56.653 55.803 0.013 0.000 1.050 1333 Q CB -0.075 28.668 28.738 0.008 0.000 1.188 1333 Q HN 0.537 nan 8.270 nan 0.000 0.406 1334 L N 0.922 122.160 121.223 0.025 0.000 3.548 1334 L HA -0.227 4.112 4.340 -0.002 0.000 0.443 1334 L C -0.173 176.712 176.870 0.025 0.000 1.286 1334 L CA 0.588 55.444 54.840 0.028 0.000 0.863 1334 L CB -1.159 40.915 42.059 0.024 0.000 1.734 1334 L HN 0.947 nan 8.230 nan 0.000 0.873 1335 T N -4.138 110.432 114.554 0.027 0.000 4.058 1335 T HA 0.127 4.475 4.350 -0.002 0.000 0.252 1335 T C 1.126 175.849 174.700 0.038 0.000 1.264 1335 T CA 0.054 62.169 62.100 0.025 0.000 1.094 1335 T CB 0.297 69.177 68.868 0.020 0.000 1.316 1335 T HN 0.504 nan 8.240 nan 0.000 0.872 1336 c N 2.346 120.972 118.600 0.042 0.000 2.522 1336 c HA 0.193 4.762 4.570 -0.002 0.000 0.271 1336 c C 1.433 175.573 174.090 0.083 0.000 1.425 1336 c CA -0.075 56.292 56.329 0.063 0.000 1.751 1336 c CB -2.253 40.295 42.510 0.063 0.000 1.775 1336 c HN 1.095 nan 8.230 nan 0.000 0.557 1337 N N -0.625 118.103 118.700 0.048 0.000 1.243 1337 N HA -0.246 4.492 4.740 -0.002 0.000 0.121 1337 N C -0.254 175.241 175.510 -0.025 0.000 0.850 1337 N CA 1.282 54.354 53.050 0.036 0.000 0.883 1337 N CB -0.640 37.903 38.487 0.094 0.000 1.027 1337 N HN 0.192 nan 8.380 nan 0.000 0.616 1338 K N 0.375 120.735 120.400 -0.067 0.000 2.790 1338 K HA 0.376 4.694 4.320 -0.002 0.000 0.229 1338 K C -1.117 175.054 176.600 -0.715 0.000 1.040 1338 K CA 0.534 56.539 56.287 -0.469 0.000 1.211 1338 K CB -0.288 31.837 32.500 -0.625 0.000 1.002 1338 K HN 0.209 nan 8.250 nan 0.000 0.479 1339 F N -0.657 119.238 119.950 -0.092 0.000 2.608 1339 F HA 0.283 4.808 4.527 -0.002 0.000 0.309 1339 F C -0.708 175.091 175.800 -0.002 0.000 1.103 1339 F CA -1.269 56.728 58.000 -0.005 0.000 0.954 1339 F CB 2.029 41.065 39.000 0.059 0.000 1.267 1339 F HN -0.164 nan 8.300 nan 0.000 0.444 1340 D N 3.257 123.777 120.400 0.200 0.000 2.438 1340 D HA 0.295 4.934 4.640 -0.002 0.000 0.257 1340 D C -1.105 175.270 176.300 0.125 0.000 1.148 1340 D CA -0.220 53.852 54.000 0.121 0.000 0.902 1340 D CB 1.632 42.472 40.800 0.067 0.000 1.062 1340 D HN 0.215 nan 8.370 nan 0.000 0.518 1341 L N 2.259 123.548 121.223 0.110 0.000 2.276 1341 L HA 0.423 4.762 4.340 -0.002 0.000 0.286 1341 L C -0.687 176.210 176.870 0.045 0.000 1.061 1341 L CA -0.157 54.726 54.840 0.072 0.000 0.807 1341 L CB 0.602 42.685 42.059 0.041 0.000 1.177 1341 L HN -0.023 nan 8.230 nan 0.000 0.429 1342 K N 4.005 124.424 120.400 0.032 0.000 2.450 1342 K HA 0.670 4.988 4.320 -0.002 0.000 0.257 1342 K C -1.383 175.215 176.600 -0.004 0.000 0.953 1342 K CA -0.336 55.963 56.287 0.020 0.000 0.844 1342 K CB 2.085 34.596 32.500 0.019 0.000 1.103 1342 K HN 0.361 nan 8.250 nan 0.000 0.429 1343 V N 2.355 122.268 119.914 -0.001 0.000 2.604 1343 V HA 0.612 4.731 4.120 -0.002 0.000 0.305 1343 V C -0.566 175.510 176.094 -0.030 0.000 1.043 1343 V CA -0.662 61.617 62.300 -0.035 0.000 0.888 1343 V CB 2.169 33.988 31.823 -0.006 0.000 0.995 1343 V HN 0.790 nan 8.190 nan 0.000 0.429 1344 T N 5.215 119.711 114.554 -0.097 0.000 2.916 1344 T HA 0.605 4.954 4.350 -0.002 0.000 0.298 1344 T C -1.035 173.571 174.700 -0.157 0.000 1.031 1344 T CA -0.267 61.785 62.100 -0.080 0.000 0.993 1344 T CB 1.867 70.697 68.868 -0.063 0.000 1.045 1344 T HN 0.473 nan 8.240 nan 0.000 0.454 1345 I N 3.220 123.728 120.570 -0.103 0.000 2.382 1345 I HA 0.531 4.700 4.170 -0.002 0.000 0.286 1345 I C -0.826 175.236 176.117 -0.092 0.000 1.002 1345 I CA -0.454 60.759 61.300 -0.144 0.000 1.135 1345 I CB 0.566 38.519 38.000 -0.080 0.000 1.288 1345 I HN 0.478 nan 8.210 nan 0.000 0.448 1346 K N 7.462 127.798 120.400 -0.108 0.000 2.340 1346 K HA 0.654 4.973 4.320 -0.002 0.000 0.244 1346 K C -2.594 173.969 176.600 -0.062 0.000 0.973 1346 K CA -1.710 54.535 56.287 -0.069 0.000 0.828 1346 K CB 1.444 33.906 32.500 -0.062 0.000 1.226 1346 K HN 0.256 nan 8.250 nan 0.000 0.437 1347 P HA 0.070 nan 4.420 nan 0.000 0.296 1347 P C -1.214 176.073 177.300 -0.023 0.000 1.295 1347 P CA -0.370 62.719 63.100 -0.018 0.000 0.754 1347 P CB 0.418 32.115 31.700 -0.006 0.000 1.311 1348 A N -0.863 121.951 122.820 -0.010 0.000 2.423 1348 A HA 0.722 5.040 4.320 -0.002 0.000 0.304 1348 A C -2.136 175.447 177.584 -0.002 0.000 1.104 1348 A CA -1.084 50.946 52.037 -0.011 0.000 0.757 1348 A CB -1.232 17.762 19.000 -0.011 0.000 1.313 1348 A HN 0.423 nan 8.150 nan 0.000 0.423 1360 N N 2.685 121.383 118.700 -0.004 0.000 3.245 1360 N HA 0.145 4.884 4.740 -0.002 0.000 0.296 1360 N C -1.298 174.290 175.510 0.130 0.000 1.254 1360 N CA 0.263 53.350 53.050 0.062 0.000 1.190 1360 N CB 0.813 39.355 38.487 0.092 0.000 1.460 1360 N HN 0.247 nan 8.380 nan 0.000 0.538 1361 T N 1.408 116.007 114.554 0.076 0.000 2.933 1361 T HA 0.087 4.435 4.350 -0.002 0.000 0.306 1361 T C 0.749 175.461 174.700 0.021 0.000 1.045 1361 T CA 0.512 62.605 62.100 -0.012 0.000 1.143 1361 T CB 0.439 69.218 68.868 -0.148 0.000 1.003 1361 T HN 0.226 nan 8.240 nan 0.000 0.540 1362 M N 2.230 121.837 119.600 0.012 0.000 2.667 1362 M HA 0.547 5.026 4.480 -0.002 0.000 0.286 1362 M C -0.927 175.311 176.300 -0.103 0.000 1.270 1362 M CA -0.872 54.410 55.300 -0.029 0.000 0.826 1362 M CB 2.274 34.858 32.600 -0.027 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 0.357 4.526 4.170 -0.002 0.000 0.291 1363 I C -1.223 174.719 176.117 -0.291 0.000 0.992 1363 I CA -0.833 60.353 61.300 -0.190 0.000 1.154 1363 I CB 1.706 39.627 38.000 -0.133 0.000 1.315 1363 I HN 0.372 nan 8.210 nan 0.000 0.448 1364 L N 7.058 128.002 121.223 -0.465 0.000 2.283 1364 L HA 0.381 4.720 4.340 -0.002 0.000 0.281 1364 L C -0.082 176.471 176.870 -0.528 0.000 1.033 1364 L CA -0.020 54.456 54.840 -0.607 0.000 0.848 1364 L CB 0.839 42.351 42.059 -0.912 0.000 1.226 1364 L HN 0.558 nan 8.230 nan 0.000 0.429 1365 E N 5.112 125.112 120.200 -0.332 0.000 2.200 1365 E HA 0.402 4.751 4.350 -0.002 0.000 0.283 1365 E C -1.082 175.406 176.600 -0.187 0.000 1.015 1365 E CA -0.359 55.910 56.400 -0.220 0.000 0.819 1365 E CB 0.812 30.430 29.700 -0.138 0.000 1.081 1365 E HN 0.648 nan 8.360 nan 0.000 0.397 1366 I N 5.633 126.119 120.570 -0.139 0.000 2.437 1366 I HA 0.251 4.420 4.170 -0.002 0.000 0.279 1366 I C -0.647 175.451 176.117 -0.032 0.000 1.028 1366 I CA -0.830 60.417 61.300 -0.088 0.000 1.142 1366 I CB 1.052 39.004 38.000 -0.079 0.000 1.266 1366 I HN 0.525 nan 8.210 nan 0.000 0.461 1367 c N 3.578 122.168 118.600 -0.018 0.000 2.401 1367 c HA 0.729 5.298 4.570 -0.002 0.000 0.365 1367 c C 0.739 174.852 174.090 0.038 0.000 1.250 1367 c CA -0.224 56.111 56.329 0.010 0.000 2.131 1367 c CB 1.195 43.710 42.510 0.008 0.000 2.445 1367 c HN 0.752 nan 8.230 nan 0.000 0.550 1368 T N 2.648 117.241 114.554 0.065 0.000 2.956 1368 T HA 0.625 4.973 4.350 -0.002 0.000 0.312 1368 T C -1.116 173.668 174.700 0.141 0.000 1.151 1368 T CA -0.525 61.647 62.100 0.119 0.000 1.024 1368 T CB 1.072 70.025 68.868 0.142 0.000 1.140 1368 T HN 0.887 nan 8.240 nan 0.000 0.473 1369 R N 2.334 122.938 120.500 0.174 0.000 2.808 1369 R HA 0.608 4.947 4.340 -0.002 0.000 0.272 1369 R C -2.015 174.378 176.300 0.155 0.000 0.995 1369 R CA -0.818 55.370 56.100 0.147 0.000 0.917 1369 R CB 1.792 32.142 30.300 0.084 0.000 1.217 1369 R HN 0.688 nan 8.270 nan 0.000 0.471 1370 Y N 1.631 121.908 120.300 -0.038 0.000 2.352 1370 Y HA 0.424 4.973 4.550 -0.002 0.000 0.339 1370 Y C -0.556 175.272 175.900 -0.119 0.000 0.992 1370 Y CA -0.719 57.247 58.100 -0.223 0.000 1.100 1370 Y CB 1.385 39.715 38.460 -0.217 0.000 1.192 1370 Y HN 0.434 nan 8.280 nan 0.000 0.458 1371 R N 4.853 124.877 120.500 -0.794 0.000 2.593 1371 R HA 0.498 4.837 4.340 -0.002 0.000 0.282 1371 R C -0.311 175.612 176.300 -0.629 0.000 1.300 1371 R CA -0.011 55.781 56.100 -0.514 0.000 1.221 1371 R CB -0.031 30.046 30.300 -0.370 0.000 1.157 1371 R HN 0.914 nan 8.270 nan 0.000 0.555 1372 G N 0.339 108.991 108.800 -0.246 0.000 2.489 1372 G HA2 0.040 3.999 3.960 -0.002 0.000 0.305 1372 G HA3 0.040 3.999 3.960 -0.002 0.000 0.305 1372 G C -0.808 173.997 174.900 -0.158 0.000 1.311 1372 G CA -0.540 44.517 45.100 -0.071 0.000 0.813 1372 G HN 0.246 nan 8.290 nan 0.000 0.480 1373 D N 0.074 120.349 120.400 -0.209 0.000 2.369 1373 D HA 0.192 4.831 4.640 -0.002 0.000 0.211 1373 D C 0.338 176.290 176.300 -0.579 0.000 1.077 1373 D CA 0.562 54.315 54.000 -0.412 0.000 0.842 1373 D CB 0.670 41.369 40.800 -0.168 0.000 0.947 1373 D HN 0.225 nan 8.370 nan 0.000 0.509 1374 Q N 0.448 120.021 119.800 -0.379 0.000 2.377 1374 Q HA 0.274 4.613 4.340 -0.002 0.000 0.271 1374 Q C -0.783 175.222 176.000 0.007 0.000 1.077 1374 Q CA -0.632 55.074 55.803 -0.162 0.000 0.820 1374 Q CB 1.584 30.275 28.738 -0.079 0.000 1.347 1374 Q HN -0.108 nan 8.270 nan 0.000 0.444 1375 D N 1.807 122.299 120.400 0.154 0.000 2.367 1375 D HA 0.234 4.872 4.640 -0.002 0.000 0.255 1375 D C 0.069 176.299 176.300 -0.117 0.000 1.300 1375 D CA 0.183 54.247 54.000 0.106 0.000 0.959 1375 D CB 0.199 41.053 40.800 0.090 0.000 1.064 1375 D HN 0.550 nan 8.370 nan 0.000 0.509 1376 A N 3.038 125.612 122.820 -0.409 0.000 2.616 1376 A HA 0.114 4.433 4.320 -0.002 0.000 0.234 1376 A C 1.440 178.939 177.584 -0.140 0.000 1.024 1376 A CA 0.314 52.008 52.037 -0.571 0.000 0.758 1376 A CB -0.092 18.363 19.000 -0.908 0.000 0.939 1376 A HN 0.595 nan 8.150 nan 0.000 0.510 1377 T N 1.664 116.212 114.554 -0.010 0.000 3.568 1377 T HA 0.351 4.700 4.350 -0.002 0.000 0.406 1377 T C 0.772 175.551 174.700 0.132 0.000 1.191 1377 T CA 0.019 62.182 62.100 0.106 0.000 1.041 1377 T CB -0.112 68.901 68.868 0.240 0.000 1.593 1377 T HN 0.556 nan 8.240 nan 0.000 0.529 1378 M N 1.603 121.302 119.600 0.165 0.000 2.260 1378 M HA 0.251 4.730 4.480 -0.002 0.000 0.348 1378 M C -0.050 176.345 176.300 0.159 0.000 1.342 1378 M CA 0.186 55.558 55.300 0.120 0.000 1.040 1378 M CB 0.086 32.695 32.600 0.014 0.000 1.810 1378 M HN 0.564 nan 8.290 nan 0.000 0.453 1379 S N 2.596 118.346 115.700 0.083 0.000 2.745 1379 S HA 0.834 5.303 4.470 -0.002 0.000 0.306 1379 S C -0.760 173.765 174.600 -0.126 0.000 1.137 1379 S CA -0.773 57.413 58.200 -0.023 0.000 0.900 1379 S CB 1.660 64.871 63.200 0.018 0.000 1.176 1379 S HN 0.478 nan 8.310 nan 0.000 0.520 1380 I N 0.911 121.234 120.570 -0.411 0.000 2.689 1380 I HA 0.490 4.659 4.170 -0.002 0.000 0.299 1380 I C -1.088 174.771 176.117 -0.430 0.000 1.059 1380 I CA -0.235 60.773 61.300 -0.487 0.000 1.055 1380 I CB 1.524 39.030 38.000 -0.824 0.000 1.243 1380 I HN 0.388 nan 8.210 nan 0.000 0.425 1381 L N 4.255 125.282 121.223 -0.326 0.000 2.417 1381 L HA 0.365 4.704 4.340 -0.002 0.000 0.259 1381 L C -1.051 175.716 176.870 -0.172 0.000 1.023 1381 L CA -0.418 54.299 54.840 -0.206 0.000 0.901 1381 L CB 0.907 42.882 42.059 -0.140 0.000 1.227 1381 L HN 0.506 nan 8.230 nan 0.000 0.454 1382 D N 4.194 124.538 120.400 -0.094 0.000 2.339 1382 D HA 0.388 5.026 4.640 -0.002 0.000 0.241 1382 D C -0.501 175.789 176.300 -0.017 0.000 1.183 1382 D CA 0.142 54.116 54.000 -0.043 0.000 0.859 1382 D CB 0.750 41.574 40.800 0.039 0.000 1.067 1382 D HN 0.241 nan 8.370 nan 0.000 0.484 1383 I N 2.349 122.917 120.570 -0.003 0.000 2.433 1383 I HA 0.245 4.414 4.170 -0.002 0.000 0.292 1383 I C -0.097 176.067 176.117 0.079 0.000 1.001 1383 I CA -0.904 60.433 61.300 0.063 0.000 1.119 1383 I CB 1.983 40.053 38.000 0.116 0.000 1.289 1383 I HN 0.307 nan 8.210 nan 0.000 0.438 1384 S N 6.663 122.429 115.700 0.109 0.000 2.530 1384 S HA 0.577 5.046 4.470 -0.002 0.000 0.322 1384 S C -0.251 174.439 174.600 0.149 0.000 1.085 1384 S CA -0.993 57.263 58.200 0.092 0.000 1.096 1384 S CB 1.288 64.515 63.200 0.045 0.000 0.988 1384 S HN 0.391 nan 8.310 nan 0.000 0.466 1385 M N 2.824 122.527 119.600 0.171 0.000 2.232 1385 M HA 0.236 4.715 4.480 -0.002 0.000 0.321 1385 M C 0.408 176.793 176.300 0.142 0.000 1.101 1385 M CA 0.377 55.821 55.300 0.240 0.000 1.181 1385 M CB -0.187 32.575 32.600 0.270 0.000 1.432 1385 M HN 0.689 nan 8.290 nan 0.000 0.457 1386 M N 0.739 120.417 119.600 0.129 0.000 2.219 1386 M HA 0.053 4.532 4.480 -0.002 0.000 0.353 1386 M C 0.669 177.105 176.300 0.227 0.000 1.304 1386 M CA 0.054 55.381 55.300 0.046 0.000 1.115 1386 M CB 0.221 32.717 32.600 -0.174 0.000 1.664 1386 M HN 0.624 nan 8.290 nan 0.000 0.459 1387 T N 2.843 117.489 114.554 0.154 0.000 2.708 1387 T HA 0.213 4.561 4.350 -0.002 0.000 0.271 1387 T C 1.053 175.858 174.700 0.175 0.000 0.985 1387 T CA 1.576 63.759 62.100 0.138 0.000 1.229 1387 T CB -0.652 68.263 68.868 0.078 0.000 0.934 1387 T HN 0.991 nan 8.240 nan 0.000 0.522 1388 G N 3.819 112.666 108.800 0.079 0.000 2.159 1388 G HA2 -0.117 3.842 3.960 -0.002 0.000 0.170 1388 G HA3 -0.117 3.842 3.960 -0.002 0.000 0.170 1388 G C -0.240 174.422 174.900 -0.396 0.000 1.007 1388 G CA -0.491 44.468 45.100 -0.234 0.000 0.672 1388 G HN 0.643 nan 8.290 nan 0.000 0.507 1389 F N 0.664 120.641 119.950 0.045 0.000 2.576 1389 F HA 0.826 5.352 4.527 -0.002 0.000 0.313 1389 F C 0.273 176.365 175.800 0.487 0.000 1.078 1389 F CA -0.285 57.871 58.000 0.260 0.000 0.921 1389 F CB 2.519 41.630 39.000 0.186 0.000 1.232 1389 F HN 0.449 nan 8.300 nan 0.000 0.459 1390 A N 3.164 126.383 122.820 0.665 0.000 2.486 1390 A HA 0.851 5.170 4.320 -0.002 0.000 0.300 1390 A C -3.055 174.682 177.584 0.255 0.000 1.048 1390 A CA -1.995 50.250 52.037 0.347 0.000 0.696 1390 A CB 1.677 20.712 19.000 0.057 0.000 1.278 1390 A HN 0.373 nan 8.150 nan 0.000 0.405 1391 P HA 0.147 nan 4.420 nan 0.000 0.269 1391 P C -0.810 176.519 177.300 0.049 0.000 1.209 1391 P CA 0.132 63.319 63.100 0.144 0.000 0.776 1391 P CB 0.496 32.144 31.700 -0.087 0.000 0.876 1392 D N 1.376 121.919 120.400 0.239 0.000 2.346 1392 D HA -0.010 4.629 4.640 -0.002 0.000 0.260 1392 D C 1.199 177.534 176.300 0.057 0.000 1.252 1392 D CA 0.260 54.427 54.000 0.277 0.000 0.895 1392 D CB 0.326 41.363 40.800 0.395 0.000 1.097 1392 D HN 0.330 nan 8.370 nan 0.000 0.489 1393 T N 1.106 115.644 114.554 -0.026 0.000 2.685 1393 T HA -0.269 4.080 4.350 -0.002 0.000 0.268 1393 T C 1.234 175.916 174.700 -0.031 0.000 1.034 1393 T CA 1.406 63.458 62.100 -0.081 0.000 1.149 1393 T CB -0.185 68.639 68.868 -0.073 0.000 0.860 1393 T HN 0.304 nan 8.240 nan 0.000 0.449 1394 D N 1.853 122.271 120.400 0.030 0.000 2.104 1394 D HA -0.071 4.568 4.640 -0.002 0.000 0.194 1394 D C 1.943 178.258 176.300 0.025 0.000 0.994 1394 D CA 1.483 55.503 54.000 0.033 0.000 0.830 1394 D CB -0.653 40.185 40.800 0.063 0.000 0.959 1394 D HN 0.457 nan 8.370 nan 0.000 0.452 1395 D N -0.224 120.206 120.400 0.049 0.000 2.178 1395 D HA -0.045 4.593 4.640 -0.002 0.000 0.202 1395 D C 2.201 178.488 176.300 -0.022 0.000 0.974 1395 D CA 0.266 54.297 54.000 0.052 0.000 0.841 1395 D CB -0.182 40.701 40.800 0.138 0.000 0.953 1395 D HN 0.212 nan 8.370 nan 0.000 0.478 1396 L N 0.104 121.267 121.223 -0.101 0.000 2.056 1396 L HA -0.145 4.194 4.340 -0.002 0.000 0.207 1396 L C 2.148 178.948 176.870 -0.117 0.000 1.078 1396 L CA 0.956 55.683 54.840 -0.188 0.000 0.749 1396 L CB -0.243 41.664 42.059 -0.253 0.000 0.901 1396 L HN -0.091 nan 8.230 nan 0.000 0.433 1397 K N 0.041 120.395 120.400 -0.076 0.000 2.063 1397 K HA -0.239 4.080 4.320 -0.002 0.000 0.208 1397 K C 2.054 178.638 176.600 -0.028 0.000 1.048 1397 K CA 1.236 57.494 56.287 -0.048 0.000 0.928 1397 K CB -0.365 32.116 32.500 -0.031 0.000 0.713 1397 K HN 0.092 nan 8.250 nan 0.000 0.442 1398 Q N 0.533 120.324 119.800 -0.016 0.000 2.084 1398 Q HA -0.048 4.291 4.340 -0.002 0.000 0.202 1398 Q C 1.696 177.696 176.000 0.000 0.000 0.978 1398 Q CA 1.557 57.360 55.803 0.001 0.000 0.844 1398 Q CB -0.134 28.613 28.738 0.015 0.000 0.898 1398 Q HN 0.349 nan 8.270 nan 0.000 0.426 1399 L N -0.603 120.612 121.223 -0.014 0.000 2.179 1399 L HA 0.040 4.379 4.340 -0.002 0.000 0.208 1399 L C 2.347 179.208 176.870 -0.016 0.000 1.096 1399 L CA 0.691 55.525 54.840 -0.011 0.000 0.779 1399 L CB -0.682 41.361 42.059 -0.026 0.000 0.922 1399 L HN 0.277 nan 8.230 nan 0.000 0.443 1400 A N 0.636 123.434 122.820 -0.036 0.000 1.902 1400 A HA -0.188 4.131 4.320 -0.002 0.000 0.217 1400 A C 1.961 179.560 177.584 0.025 0.000 1.181 1400 A CA 1.823 53.846 52.037 -0.023 0.000 0.623 1400 A CB -0.473 18.494 19.000 -0.055 0.000 0.818 1400 A HN 0.405 nan 8.150 nan 0.000 0.443 1401 N N 0.437 119.147 118.700 0.016 0.000 2.396 1401 N HA 0.036 4.774 4.740 -0.002 0.000 0.180 1401 N C 1.128 176.655 175.510 0.028 0.000 1.028 1401 N CA 0.757 53.823 53.050 0.026 0.000 0.893 1401 N CB -0.659 37.837 38.487 0.016 0.000 0.967 1401 N HN 0.437 nan 8.380 nan 0.000 0.440 1402 G N 0.589 109.404 108.800 0.025 0.000 2.559 1402 G HA2 0.152 4.111 3.960 -0.002 0.000 0.235 1402 G HA3 0.152 4.111 3.960 -0.002 0.000 0.235 1402 G C 0.025 174.945 174.900 0.033 0.000 1.266 1402 G CA -0.344 44.771 45.100 0.026 0.000 0.847 1402 G HN 0.112 nan 8.290 nan 0.000 0.583 1403 V N 1.861 121.792 119.914 0.027 0.000 2.740 1403 V HA 0.223 4.342 4.120 -0.002 0.000 0.303 1403 V C 0.665 176.779 176.094 0.033 0.000 1.054 1403 V CA 0.740 63.056 62.300 0.026 0.000 1.106 1403 V CB 0.695 32.529 31.823 0.018 0.000 0.957 1403 V HN 0.976 nan 8.190 nan 0.000 0.486 1404 D N 3.077 123.498 120.400 0.035 0.000 3.076 1404 D HA -0.154 4.485 4.640 -0.002 0.000 0.218 1404 D C 0.132 176.470 176.300 0.064 0.000 1.156 1404 D CA 1.252 55.277 54.000 0.042 0.000 0.921 1404 D CB -0.859 39.961 40.800 0.034 0.000 1.113 1404 D HN 0.787 nan 8.370 nan 0.000 0.418 1405 R N -0.218 120.329 120.500 0.079 0.000 2.574 1405 R HA 0.578 4.917 4.340 -0.002 0.000 0.288 1405 R C -1.087 175.311 176.300 0.164 0.000 1.004 1405 R CA -0.838 55.322 56.100 0.099 0.000 0.895 1405 R CB 2.327 32.659 30.300 0.054 0.000 1.191 1405 R HN 0.109 nan 8.270 nan 0.000 0.444 1406 Y N 3.253 123.582 120.300 0.049 0.000 2.470 1406 Y HA 0.572 5.121 4.550 -0.002 0.000 0.341 1406 Y C -1.665 174.305 175.900 0.118 0.000 1.021 1406 Y CA -0.896 57.239 58.100 0.059 0.000 1.025 1406 Y CB 1.494 39.977 38.460 0.037 0.000 1.266 1406 Y HN 0.510 nan 8.280 nan 0.000 0.448 1407 I N 5.684 125.828 120.570 -0.710 0.000 2.439 1407 I HA 0.270 4.439 4.170 -0.002 0.000 0.285 1407 I C -0.313 175.329 176.117 -0.792 0.000 1.021 1407 I CA -1.086 59.825 61.300 -0.648 0.000 1.091 1407 I CB 2.070 39.882 38.000 -0.313 0.000 1.242 1407 I HN 0.799 nan 8.210 nan 0.000 0.439 1408 S N 4.770 120.076 115.700 -0.657 0.000 2.642 1408 S HA -0.084 4.384 4.470 -0.002 0.000 0.308 1408 S C 1.130 175.698 174.600 -0.054 0.000 1.255 1408 S CA -0.155 57.924 58.200 -0.203 0.000 1.057 1408 S CB 0.863 64.118 63.200 0.092 0.000 0.785 1408 S HN 0.857 nan 8.310 nan 0.000 0.500 1409 K N 2.184 122.616 120.400 0.054 0.000 2.152 1409 K HA -0.233 4.086 4.320 -0.002 0.000 0.206 1409 K C 1.685 178.314 176.600 0.048 0.000 1.048 1409 K CA 1.632 57.946 56.287 0.045 0.000 0.933 1409 K CB -0.350 32.197 32.500 0.078 0.000 0.721 1409 K HN 0.863 nan 8.250 nan 0.000 0.447 1410 Y N 1.265 121.554 120.300 -0.018 0.000 2.256 1410 Y HA -0.220 4.329 4.550 -0.001 0.000 0.288 1410 Y C 1.940 177.809 175.900 -0.053 0.000 1.155 1410 Y CA 1.970 60.056 58.100 -0.024 0.000 1.203 1410 Y CB 0.077 38.535 38.460 -0.002 0.000 0.980 1410 Y HN 0.183 nan 8.280 nan 0.000 0.530 1411 E N -0.595 119.616 120.200 0.019 0.000 2.318 1411 E HA -0.020 4.329 4.350 -0.002 0.000 0.193 1411 E C 1.645 178.149 176.600 -0.159 0.000 0.998 1411 E CA 0.512 56.865 56.400 -0.079 0.000 0.859 1411 E CB -0.179 29.494 29.700 -0.045 0.000 0.812 1411 E HN 0.404 nan 8.360 nan 0.000 0.492 1412 L N 1.260 122.399 121.223 -0.140 0.000 1.961 1412 L HA -0.080 4.259 4.340 -0.002 0.000 0.209 1412 L C 0.694 177.469 176.870 -0.158 0.000 1.075 1412 L CA 1.713 56.467 54.840 -0.145 0.000 0.749 1412 L CB -0.815 41.181 42.059 -0.105 0.000 0.890 1412 L HN 0.195 nan 8.230 nan 0.000 0.433 1413 D N -0.408 119.901 120.400 -0.152 0.000 2.600 1413 D HA 0.005 4.644 4.640 -0.002 0.000 0.226 1413 D C 0.684 176.864 176.300 -0.200 0.000 1.119 1413 D CA 0.239 54.149 54.000 -0.149 0.000 1.051 1413 D CB -0.066 40.664 40.800 -0.117 0.000 1.106 1413 D HN 0.291 nan 8.370 nan 0.000 0.491 1414 K N 0.366 120.642 120.400 -0.206 0.000 2.436 1414 K HA 0.414 4.733 4.320 -0.002 0.000 0.198 1414 K C 0.530 177.022 176.600 -0.180 0.000 1.174 1414 K CA 0.263 56.418 56.287 -0.221 0.000 0.951 1414 K CB 0.632 32.984 32.500 -0.247 0.000 1.040 1414 K HN 0.388 nan 8.250 nan 0.000 0.536 1415 A N 0.656 123.371 122.820 -0.175 0.000 6.702 1415 A HA -0.245 4.074 4.320 -0.002 0.000 0.279 1415 A C 0.287 177.748 177.584 -0.205 0.000 2.141 1415 A CA 0.392 52.354 52.037 -0.125 0.000 0.658 1415 A CB -1.508 17.468 19.000 -0.041 0.000 1.332 1415 A HN 0.250 nan 8.150 nan 0.000 0.388 1416 F N 0.870 120.691 119.950 -0.215 0.000 2.773 1416 F HA 0.056 4.582 4.527 -0.002 0.000 0.299 1416 F C 2.394 177.934 175.800 -0.434 0.000 1.204 1416 F CA 1.514 59.297 58.000 -0.361 0.000 1.454 1416 F CB -0.228 38.557 39.000 -0.358 0.000 1.117 1416 F HN 0.682 nan 8.300 nan 0.000 0.590 1417 S N -0.120 115.494 115.700 -0.142 0.000 2.363 1417 S HA -0.163 4.306 4.470 -0.002 0.000 0.218 1417 S C 0.607 175.103 174.600 -0.173 0.000 1.035 1417 S CA 1.686 59.802 58.200 -0.139 0.000 1.043 1417 S CB -0.078 63.058 63.200 -0.107 0.000 0.986 1417 S HN 0.238 nan 8.310 nan 0.000 0.423 1418 D N -0.076 120.220 120.400 -0.172 0.000 2.527 1418 D HA 0.243 4.882 4.640 -0.002 0.000 0.242 1418 D C -0.791 175.425 176.300 -0.140 0.000 1.285 1418 D CA -0.100 53.818 54.000 -0.136 0.000 0.886 1418 D CB 0.614 41.356 40.800 -0.095 0.000 1.402 1418 D HN 0.239 nan 8.370 nan 0.000 0.528 1419 R N 2.051 122.452 120.500 -0.165 0.000 2.989 1419 R HA 0.090 4.429 4.340 -0.002 0.000 0.340 1419 R C 0.598 176.861 176.300 -0.063 0.000 1.205 1419 R CA -0.243 55.770 56.100 -0.144 0.000 1.235 1419 R CB -0.055 30.108 30.300 -0.228 0.000 1.394 1419 R HN 0.055 nan 8.270 nan 0.000 0.598 1420 N N -0.644 118.049 118.700 -0.011 0.000 2.467 1420 N HA -0.069 4.670 4.740 -0.002 0.000 0.184 1420 N C -0.170 175.363 175.510 0.039 0.000 1.106 1420 N CA 0.339 53.423 53.050 0.056 0.000 0.892 1420 N CB 0.463 38.990 38.487 0.067 0.000 0.969 1420 N HN 0.207 nan 8.380 nan 0.000 0.454 1421 T N -1.757 112.796 114.554 -0.001 0.000 2.881 1421 T HA 0.583 4.932 4.350 -0.002 0.000 0.291 1421 T C -0.985 173.693 174.700 -0.037 0.000 0.990 1421 T CA -0.979 61.117 62.100 -0.006 0.000 0.976 1421 T CB 1.534 70.394 68.868 -0.014 0.000 0.970 1421 T HN 0.060 nan 8.240 nan 0.000 0.438 1422 L N 3.657 124.853 121.223 -0.045 0.000 2.386 1422 L HA 0.758 5.097 4.340 -0.002 0.000 0.271 1422 L C -1.386 175.400 176.870 -0.140 0.000 0.993 1422 L CA -1.205 53.572 54.840 -0.105 0.000 0.819 1422 L CB 1.669 43.643 42.059 -0.141 0.000 1.294 1422 L HN 0.825 nan 8.230 nan 0.000 0.414 1423 I N 6.467 126.909 120.570 -0.214 0.000 2.390 1423 I HA 0.363 4.532 4.170 -0.002 0.000 0.283 1423 I C -0.658 175.158 176.117 -0.502 0.000 1.016 1423 I CA -0.291 60.786 61.300 -0.371 0.000 1.151 1423 I CB 1.265 38.990 38.000 -0.457 0.000 1.293 1423 I HN 0.477 nan 8.210 nan 0.000 0.458 1424 I N 6.894 127.226 120.570 -0.396 0.000 2.310 1424 I HA 0.219 4.388 4.170 -0.002 0.000 0.287 1424 I C -0.423 175.539 176.117 -0.259 0.000 1.073 1424 I CA -0.594 60.532 61.300 -0.291 0.000 1.216 1424 I CB -0.014 37.887 38.000 -0.165 0.000 1.415 1424 I HN 0.389 nan 8.210 nan 0.000 0.480 1425 Y N 6.014 126.278 120.300 -0.059 0.000 2.480 1425 Y HA 0.293 4.842 4.550 -0.002 0.000 0.338 1425 Y C 0.374 176.285 175.900 0.019 0.000 1.220 1425 Y CA 0.069 58.168 58.100 -0.001 0.000 1.430 1425 Y CB 0.392 38.923 38.460 0.118 0.000 1.311 1425 Y HN 0.364 nan 8.280 nan 0.000 0.575 1426 L N 2.134 123.449 121.223 0.153 0.000 2.341 1426 L HA 0.372 4.711 4.340 -0.002 0.000 0.267 1426 L C 0.005 176.929 176.870 0.090 0.000 1.009 1426 L CA -0.788 54.111 54.840 0.099 0.000 0.819 1426 L CB 1.897 43.990 42.059 0.056 0.000 1.323 1426 L HN 0.562 nan 8.230 nan 0.000 0.425 1427 D N 0.485 120.925 120.400 0.067 0.000 2.301 1427 D HA 0.054 4.693 4.640 -0.002 0.000 0.206 1427 D C -0.087 176.237 176.300 0.041 0.000 0.979 1427 D CA 0.862 54.886 54.000 0.040 0.000 0.874 1427 D CB 0.491 41.306 40.800 0.025 0.000 0.968 1427 D HN 0.504 nan 8.370 nan 0.000 0.510 1428 K N -1.228 119.201 120.400 0.048 0.000 2.660 1428 K HA 0.462 4.781 4.320 -0.002 0.000 0.285 1428 K C -1.546 175.087 176.600 0.055 0.000 0.997 1428 K CA -1.010 55.303 56.287 0.043 0.000 0.861 1428 K CB 1.705 34.221 32.500 0.027 0.000 1.469 1428 K HN -0.182 nan 8.250 nan 0.000 0.395 1429 V N -1.604 118.343 119.914 0.055 0.000 2.532 1429 V HA 0.475 4.594 4.120 -0.002 0.000 0.294 1429 V C -0.071 176.064 176.094 0.069 0.000 1.036 1429 V CA -0.710 61.641 62.300 0.086 0.000 0.876 1429 V CB 1.131 33.060 31.823 0.176 0.000 1.012 1429 V HN 0.879 nan 8.190 nan 0.000 0.432 1430 S N 3.354 119.083 115.700 0.048 0.000 2.558 1430 S HA 0.062 4.531 4.470 -0.002 0.000 0.291 1430 S C 1.258 175.894 174.600 0.060 0.000 1.306 1430 S CA 0.541 58.746 58.200 0.008 0.000 1.056 1430 S CB 0.124 63.291 63.200 -0.055 0.000 0.836 1430 S HN 1.190 nan 8.310 nan 0.000 0.504 1431 H N 2.731 121.854 119.070 0.089 0.000 2.539 1431 H HA 0.230 4.785 4.556 -0.002 0.000 0.267 1431 H C 1.216 176.586 175.328 0.070 0.000 0.982 1431 H CA 0.466 56.595 56.048 0.134 0.000 1.146 1431 H CB -0.186 29.692 29.762 0.195 0.000 1.382 1431 H HN 0.457 nan 8.280 nan 0.000 0.577 1432 S N 0.579 116.083 115.700 -0.327 0.000 2.289 1432 S HA 0.040 4.509 4.470 -0.002 0.000 0.193 1432 S C 0.788 175.347 174.600 -0.068 0.000 1.002 1432 S CA 0.070 58.145 58.200 -0.209 0.000 0.951 1432 S CB 0.426 63.466 63.200 -0.265 0.000 0.920 1432 S HN 0.459 nan 8.310 nan 0.000 0.502 1433 E N 0.969 121.133 120.200 -0.060 0.000 2.700 1433 E HA 0.310 4.659 4.350 -0.002 0.000 0.253 1433 E C -1.325 175.278 176.600 0.005 0.000 1.175 1433 E CA -0.633 55.756 56.400 -0.019 0.000 1.010 1433 E CB 0.328 30.016 29.700 -0.020 0.000 1.284 1433 E HN 0.151 nan 8.360 nan 0.000 0.557 1434 D N 1.232 121.641 120.400 0.014 0.000 2.329 1434 D HA 0.170 4.809 4.640 -0.002 0.000 0.232 1434 D C -1.101 175.216 176.300 0.027 0.000 1.088 1434 D CA -0.276 53.742 54.000 0.030 0.000 0.835 1434 D CB 0.793 41.610 40.800 0.028 0.000 1.078 1434 D HN 0.130 nan 8.370 nan 0.000 0.495 1435 D N 1.792 122.216 120.400 0.041 0.000 2.600 1435 D HA 0.053 4.692 4.640 -0.002 0.000 0.226 1435 D C -0.047 176.272 176.300 0.033 0.000 1.119 1435 D CA -0.164 53.858 54.000 0.036 0.000 1.051 1435 D CB -0.435 40.393 40.800 0.048 0.000 1.106 1435 D HN 0.232 nan 8.370 nan 0.000 0.491 1436 c N 1.911 120.523 118.600 0.021 0.000 2.601 1436 c HA 0.571 5.140 4.570 -0.002 0.000 0.409 1436 c C 0.534 174.631 174.090 0.011 0.000 1.293 1436 c CA -0.726 55.609 56.329 0.010 0.000 2.101 1436 c CB -1.036 41.474 42.510 -0.001 0.000 2.639 1436 c HN 0.502 nan 8.230 nan 0.000 0.592 1437 L N 1.680 122.907 121.223 0.008 0.000 2.397 1437 L HA 1.114 5.453 4.340 -0.002 0.000 0.251 1437 L C -0.433 176.435 176.870 -0.003 0.000 1.064 1437 L CA -0.630 54.224 54.840 0.023 0.000 0.859 1437 L CB 1.310 43.403 42.059 0.056 0.000 1.468 1437 L HN 0.829 nan 8.230 nan 0.000 0.411 1438 A N 0.120 122.957 122.820 0.029 0.000 2.586 1438 A HA 0.926 5.245 4.320 -0.002 0.000 0.290 1438 A C -1.633 176.000 177.584 0.082 0.000 1.086 1438 A CA -0.125 51.867 52.037 -0.075 0.000 0.665 1438 A CB 1.220 20.142 19.000 -0.130 0.000 1.279 1438 A HN 1.778 nan 8.150 nan 0.000 0.423 1439 F N -1.703 118.209 119.950 -0.063 0.000 2.770 1439 F HA 0.696 5.222 4.527 -0.002 0.000 0.313 1439 F C -0.762 175.008 175.800 -0.051 0.000 1.154 1439 F CA -1.099 56.874 58.000 -0.045 0.000 0.923 1439 F CB 0.807 39.783 39.000 -0.040 0.000 1.301 1439 F HN 0.540 nan 8.300 nan 0.000 0.449 1440 K N 1.315 121.826 120.400 0.185 0.000 2.202 1440 K HA 0.687 5.006 4.320 -0.002 0.000 0.264 1440 K C -1.003 175.684 176.600 0.146 0.000 1.010 1440 K CA -0.857 55.457 56.287 0.045 0.000 0.940 1440 K CB 1.813 34.309 32.500 -0.007 0.000 0.983 1440 K HN 0.694 nan 8.250 nan 0.000 0.475 1441 V N -0.659 119.273 119.914 0.029 0.000 2.509 1441 V HA 0.267 4.386 4.120 -0.002 0.000 0.289 1441 V C -0.579 175.670 176.094 0.259 0.000 1.026 1441 V CA -1.018 61.419 62.300 0.228 0.000 0.872 1441 V CB 0.847 32.826 31.823 0.261 0.000 1.017 1441 V HN 0.692 nan 8.190 nan 0.000 0.436 1442 H N 3.107 122.414 119.070 0.395 0.000 2.551 1442 H HA 0.352 4.907 4.556 -0.002 0.000 0.358 1442 H C -0.359 175.052 175.328 0.139 0.000 1.151 1442 H CA -0.193 56.027 56.048 0.287 0.000 1.374 1442 H CB 2.171 32.102 29.762 0.282 0.000 1.473 1442 H HN 0.813 nan 8.280 nan 0.000 0.574 1443 Q N 2.913 122.642 119.800 -0.119 0.000 2.503 1443 Q HA 0.039 4.378 4.340 -0.002 0.000 0.227 1443 Q C 0.038 175.882 176.000 -0.259 0.000 1.109 1443 Q CA -0.602 54.806 55.803 -0.659 0.000 0.922 1443 Q CB 0.081 28.218 28.738 -1.002 0.000 1.249 1443 Q HN 0.684 nan 8.270 nan 0.000 0.530 1444 Y N 2.805 123.053 120.300 -0.087 0.000 2.457 1444 Y HA 0.217 4.766 4.550 -0.002 0.000 0.292 1444 Y C -0.452 175.472 175.900 0.040 0.000 1.125 1444 Y CA -0.286 57.796 58.100 -0.029 0.000 1.254 1444 Y CB 0.244 38.757 38.460 0.088 0.000 1.012 1444 Y HN 0.391 nan 8.280 nan 0.000 0.555 1445 F N 2.442 121.965 119.950 -0.712 0.000 2.536 1445 F HA 0.415 4.941 4.527 -0.002 0.000 0.322 1445 F C -0.932 174.642 175.800 -0.377 0.000 1.144 1445 F CA -1.523 56.199 58.000 -0.464 0.000 0.924 1445 F CB 0.963 39.666 39.000 -0.495 0.000 1.181 1445 F HN -0.066 nan 8.300 nan 0.000 0.438 1446 N N 4.857 123.158 118.700 -0.665 0.000 2.456 1446 N HA 0.605 5.344 4.740 -0.002 0.000 0.288 1446 N C -1.833 173.443 175.510 -0.392 0.000 1.059 1446 N CA 0.042 52.838 53.050 -0.423 0.000 0.946 1446 N CB 1.951 40.239 38.487 -0.331 0.000 1.150 1446 N HN 0.630 nan 8.380 nan 0.000 0.479 1447 V N 2.847 122.683 119.914 -0.131 0.000 2.966 1447 V HA 0.208 4.327 4.120 -0.002 0.000 0.288 1447 V C -0.944 175.163 176.094 0.022 0.000 1.380 1447 V CA -0.855 61.429 62.300 -0.028 0.000 0.966 1447 V CB 1.802 33.697 31.823 0.120 0.000 1.115 1447 V HN 0.839 nan 8.190 nan 0.000 0.436 1448 E N 6.612 126.824 120.200 0.021 0.000 2.404 1448 E HA 0.499 4.848 4.350 -0.002 0.000 0.261 1448 E C -0.333 176.309 176.600 0.069 0.000 1.074 1448 E CA -0.312 56.111 56.400 0.038 0.000 0.917 1448 E CB 0.706 30.420 29.700 0.022 0.000 0.965 1448 E HN 0.878 nan 8.360 nan 0.000 0.433 1449 L N 1.270 122.543 121.223 0.084 0.000 3.423 1449 L HA -0.248 4.091 4.340 -0.002 0.000 0.671 1449 L C -0.550 176.406 176.870 0.142 0.000 1.083 1449 L CA 0.078 54.985 54.840 0.112 0.000 1.201 1449 L CB -1.746 40.374 42.059 0.102 0.000 1.578 1449 L HN 0.601 nan 8.230 nan 0.000 0.839 1450 I N -0.885 119.786 120.570 0.167 0.000 2.488 1450 I HA 0.520 4.689 4.170 -0.002 0.000 0.299 1450 I C 0.373 176.609 176.117 0.197 0.000 0.984 1450 I CA -0.259 61.144 61.300 0.172 0.000 1.250 1450 I CB 1.211 39.308 38.000 0.160 0.000 1.389 1450 I HN 0.396 nan 8.210 nan 0.000 0.488 1451 Q N 5.217 125.121 119.800 0.172 0.000 2.279 1451 Q HA 0.449 4.788 4.340 -0.002 0.000 0.256 1451 Q C -2.367 173.684 176.000 0.086 0.000 0.937 1451 Q CA -1.884 54.009 55.803 0.150 0.000 0.933 1451 Q CB 1.015 29.863 28.738 0.183 0.000 1.189 1451 Q HN 0.486 nan 8.270 nan 0.000 0.417 1452 P HA -0.015 nan 4.420 nan 0.000 0.266 1452 P C -0.382 176.833 177.300 -0.141 0.000 1.195 1452 P CA 0.173 63.282 63.100 0.014 0.000 0.768 1452 P CB 0.656 32.371 31.700 0.026 0.000 0.838 1453 G N 1.326 109.785 108.800 -0.568 0.000 2.557 1453 G HA2 0.611 4.570 3.960 -0.002 0.000 0.292 1453 G HA3 0.611 4.570 3.960 -0.002 0.000 0.292 1453 G C -1.077 173.613 174.900 -0.350 0.000 1.237 1453 G CA -0.247 44.459 45.100 -0.657 0.000 0.978 1453 G HN 0.658 nan 8.290 nan 0.000 0.498 1454 A N -1.574 121.180 122.820 -0.109 0.000 2.572 1454 A HA 0.711 5.030 4.320 -0.002 0.000 0.295 1454 A C -1.358 176.211 177.584 -0.025 0.000 1.072 1454 A CA -0.446 51.492 52.037 -0.165 0.000 0.691 1454 A CB 1.906 20.692 19.000 -0.357 0.000 1.291 1454 A HN 1.247 nan 8.150 nan 0.000 0.404 1455 V N 1.196 121.042 119.914 -0.113 0.000 2.709 1455 V HA 0.648 4.767 4.120 -0.002 0.000 0.308 1455 V C -0.318 175.710 176.094 -0.110 0.000 1.062 1455 V CA -0.643 61.626 62.300 -0.052 0.000 0.901 1455 V CB 1.908 33.726 31.823 -0.008 0.000 1.003 1455 V HN 0.940 nan 8.190 nan 0.000 0.425 1456 K N 3.316 123.677 120.400 -0.065 0.000 2.443 1456 K HA 0.827 5.146 4.320 -0.002 0.000 0.252 1456 K C -1.273 175.317 176.600 -0.017 0.000 0.933 1456 K CA -0.542 55.721 56.287 -0.040 0.000 0.792 1456 K CB 2.329 34.826 32.500 -0.005 0.000 1.185 1456 K HN 0.670 nan 8.250 nan 0.000 0.425 1457 V N 1.024 120.888 119.914 -0.083 0.000 2.864 1457 V HA 0.852 4.971 4.120 -0.002 0.000 0.314 1457 V C -1.345 174.544 176.094 -0.342 0.000 1.073 1457 V CA -0.560 61.568 62.300 -0.287 0.000 0.956 1457 V CB 0.991 32.558 31.823 -0.426 0.000 1.023 1457 V HN 0.927 nan 8.190 nan 0.000 0.435 1458 Y N 0.406 120.332 120.300 -0.623 0.000 2.765 1458 Y HA 0.851 5.400 4.550 -0.002 0.000 0.350 1458 Y C -0.382 175.380 175.900 -0.230 0.000 1.196 1458 Y CA -0.886 56.905 58.100 -0.516 0.000 1.119 1458 Y CB 0.296 38.597 38.460 -0.264 0.000 1.368 1458 Y HN 1.177 nan 8.280 nan 0.000 0.463 1459 A N 0.975 123.782 122.820 -0.021 0.000 2.272 1459 A HA 0.443 4.762 4.320 -0.002 0.000 0.275 1459 A C 0.143 177.646 177.584 -0.135 0.000 1.096 1459 A CA -0.035 51.898 52.037 -0.173 0.000 0.822 1459 A CB -0.238 18.369 19.000 -0.655 0.000 1.088 1459 A HN 1.399 nan 8.150 nan 0.000 0.495 1460 Y N -1.106 119.113 120.300 -0.134 0.000 2.544 1460 Y HA 0.020 4.569 4.550 -0.002 0.000 0.286 1460 Y C 1.286 177.244 175.900 0.098 0.000 1.141 1460 Y CA 1.260 59.381 58.100 0.036 0.000 1.299 1460 Y CB -0.690 37.819 38.460 0.082 0.000 1.030 1460 Y HN 0.658 nan 8.280 nan 0.000 0.543 1461 Y N -1.440 118.559 120.300 -0.502 0.000 2.500 1461 Y HA 0.328 4.877 4.550 -0.002 0.000 0.284 1461 Y C 0.355 176.186 175.900 -0.115 0.000 1.118 1461 Y CA -0.490 57.356 58.100 -0.424 0.000 1.241 1461 Y CB -0.251 37.868 38.460 -0.568 0.000 1.171 1461 Y HN 0.036 nan 8.280 nan 0.000 0.540 1462 N N 1.349 119.889 118.700 -0.267 0.000 2.443 1462 N HA 0.158 4.896 4.740 -0.002 0.000 0.269 1462 N C -0.144 175.336 175.510 -0.049 0.000 0.985 1462 N CA -0.294 52.730 53.050 -0.044 0.000 0.921 1462 N CB 2.013 40.542 38.487 0.071 0.000 1.195 1462 N HN 0.369 nan 8.380 nan 0.000 0.492 1463 L N 4.248 125.438 121.223 -0.056 0.000 2.202 1463 L HA 0.244 4.583 4.340 -0.002 0.000 0.205 1463 L C 1.517 178.287 176.870 -0.166 0.000 1.083 1463 L CA 1.631 56.360 54.840 -0.185 0.000 0.790 1463 L CB -0.305 41.635 42.059 -0.199 0.000 0.942 1463 L HN 0.479 nan 8.230 nan 0.000 0.452 1464 E N 0.689 120.844 120.200 -0.075 0.000 2.033 1464 E HA -0.185 4.164 4.350 -0.002 0.000 0.199 1464 E C 0.527 177.117 176.600 -0.016 0.000 1.011 1464 E CA 1.412 57.785 56.400 -0.045 0.000 0.815 1464 E CB -0.415 29.275 29.700 -0.017 0.000 0.755 1464 E HN 0.535 nan 8.360 nan 0.000 0.451 1465 E N 1.081 121.299 120.200 0.030 0.000 2.161 1465 E HA 0.175 4.523 4.350 -0.002 0.000 0.263 1465 E C -0.483 176.189 176.600 0.120 0.000 1.185 1465 E CA -0.095 56.358 56.400 0.089 0.000 0.938 1465 E CB 0.039 29.820 29.700 0.136 0.000 1.023 1465 E HN 0.153 nan 8.360 nan 0.000 0.433 1466 S N 1.612 117.362 115.700 0.083 0.000 2.643 1466 S HA 0.544 5.013 4.470 -0.002 0.000 0.270 1466 S C -1.206 173.419 174.600 0.042 0.000 1.166 1466 S CA -1.053 57.171 58.200 0.039 0.000 0.815 1466 S CB 1.936 65.105 63.200 -0.053 0.000 1.139 1466 S HN 0.470 nan 8.310 nan 0.000 0.472 1467 c N 1.581 120.177 118.600 -0.006 0.000 2.481 1467 c HA 0.843 5.412 4.570 -0.002 0.000 0.324 1467 c C -0.710 173.356 174.090 -0.039 0.000 1.170 1467 c CA 0.210 56.548 56.329 0.015 0.000 1.361 1467 c CB 0.556 43.114 42.510 0.081 0.000 1.977 1467 c HN 0.967 nan 8.230 nan 0.000 0.459 1468 T N 6.205 120.727 114.554 -0.054 0.000 2.841 1468 T HA 0.680 5.029 4.350 -0.002 0.000 0.283 1468 T C -0.637 173.943 174.700 -0.199 0.000 1.000 1468 T CA -0.602 61.405 62.100 -0.155 0.000 0.977 1468 T CB 1.120 69.869 68.868 -0.198 0.000 0.979 1468 T HN 0.662 nan 8.240 nan 0.000 0.446 1469 R N 1.454 121.786 120.500 -0.280 0.000 2.854 1469 R HA 0.657 4.996 4.340 -0.002 0.000 0.271 1469 R C -1.414 174.648 176.300 -0.397 0.000 0.994 1469 R CA -0.908 55.074 56.100 -0.197 0.000 0.945 1469 R CB 1.386 31.672 30.300 -0.024 0.000 1.194 1469 R HN 0.531 nan 8.270 nan 0.000 0.476 1470 F N 1.298 121.288 119.950 0.067 0.000 2.508 1470 F HA 0.441 4.967 4.527 -0.002 0.000 0.325 1470 F C -0.063 175.791 175.800 0.090 0.000 1.090 1470 F CA -0.964 57.057 58.000 0.035 0.000 0.945 1470 F CB 1.347 40.336 39.000 -0.017 0.000 1.156 1470 F HN 0.388 nan 8.300 nan 0.000 0.463 1471 Y N 0.597 120.998 120.300 0.169 0.000 2.446 1471 Y HA 0.757 5.306 4.550 -0.002 0.000 0.345 1471 Y C -1.193 174.779 175.900 0.119 0.000 0.984 1471 Y CA -0.973 57.181 58.100 0.090 0.000 1.058 1471 Y CB 1.490 39.943 38.460 -0.010 0.000 1.220 1471 Y HN 0.709 nan 8.280 nan 0.000 0.455 1472 H N 3.876 122.995 119.070 0.082 0.000 3.085 1472 H HA 0.275 4.830 4.556 -0.002 0.000 0.356 1472 H C -2.598 172.740 175.328 0.018 0.000 1.178 1472 H CA -1.961 54.080 56.048 -0.012 0.000 1.214 1472 H CB 3.024 32.760 29.762 -0.043 0.000 1.881 1472 H HN 0.494 nan 8.280 nan 0.000 0.538 1473 P HA -0.141 nan 4.420 nan 0.000 0.213 1473 P C 0.764 178.122 177.300 0.096 0.000 1.170 1473 P CA 1.647 64.672 63.100 -0.125 0.000 0.902 1473 P CB 0.630 32.179 31.700 -0.251 0.000 0.789 1474 E N -0.415 119.965 120.200 0.301 0.000 2.035 1474 E HA 0.019 4.368 4.350 -0.002 0.000 0.191 1474 E C 0.402 177.124 176.600 0.203 0.000 0.966 1474 E CA 0.248 56.797 56.400 0.249 0.000 0.823 1474 E CB -0.314 29.523 29.700 0.228 0.000 0.791 1474 E HN 0.192 nan 8.360 nan 0.000 0.459 1475 K N 2.608 123.078 120.400 0.116 0.000 2.473 1475 K HA -0.052 4.266 4.320 -0.002 0.000 0.277 1475 K C 0.058 176.669 176.600 0.019 0.000 1.052 1475 K CA 0.179 56.406 56.287 -0.099 0.000 1.114 1475 K CB 0.267 32.504 32.500 -0.437 0.000 0.869 1475 K HN 0.171 nan 8.250 nan 0.000 0.481 1476 E N 3.009 123.216 120.200 0.013 0.000 2.413 1476 E HA -0.111 4.238 4.350 -0.002 0.000 0.263 1476 E C -0.191 176.436 176.600 0.046 0.000 1.015 1476 E CA 0.257 56.680 56.400 0.037 0.000 0.916 1476 E CB 0.357 30.072 29.700 0.024 0.000 0.947 1476 E HN 0.679 nan 8.360 nan 0.000 0.440 1477 D N 2.218 122.664 120.400 0.076 0.000 2.913 1477 D HA -0.253 4.386 4.640 -0.002 0.000 0.228 1477 D C 0.609 176.990 176.300 0.136 0.000 1.180 1477 D CA 1.169 55.231 54.000 0.104 0.000 0.761 1477 D CB -1.842 39.010 40.800 0.087 0.000 1.085 1477 D HN 0.895 nan 8.370 nan 0.000 0.420 1478 G N -1.330 107.540 108.800 0.117 0.000 2.273 1478 G HA2 -0.349 3.610 3.960 -0.002 0.000 0.280 1478 G HA3 -0.349 3.610 3.960 -0.002 0.000 0.280 1478 G C 0.148 175.023 174.900 -0.041 0.000 1.047 1478 G CA 0.532 45.694 45.100 0.104 0.000 0.869 1478 G HN 0.668 nan 8.290 nan 0.000 0.502 1479 K N -0.792 119.558 120.400 -0.085 0.000 2.118 1479 K HA 0.785 5.104 4.320 -0.002 0.000 0.254 1479 K C 0.725 177.219 176.600 -0.176 0.000 0.961 1479 K CA -0.727 55.469 56.287 -0.153 0.000 0.876 1479 K CB 0.984 33.434 32.500 -0.083 0.000 1.077 1479 K HN 0.189 nan 8.250 nan 0.000 0.440 1480 L N 2.616 123.731 121.223 -0.180 0.000 2.334 1480 L HA 0.347 4.686 4.340 -0.002 0.000 0.277 1480 L C -0.145 176.663 176.870 -0.105 0.000 1.075 1480 L CA -1.003 53.746 54.840 -0.151 0.000 0.804 1480 L CB 0.921 42.894 42.059 -0.144 0.000 1.174 1480 L HN 0.541 nan 8.230 nan 0.000 0.438 1481 N N 3.646 122.291 118.700 -0.091 0.000 2.411 1481 N HA 0.084 4.823 4.740 -0.002 0.000 0.265 1481 N C -0.762 174.715 175.510 -0.054 0.000 1.266 1481 N CA 0.349 53.361 53.050 -0.063 0.000 0.889 1481 N CB 0.173 38.627 38.487 -0.054 0.000 1.069 1481 N HN 0.460 nan 8.380 nan 0.000 0.476 1482 K N 0.323 120.694 120.400 -0.047 0.000 2.588 1482 K HA 0.275 4.594 4.320 -0.002 0.000 0.250 1482 K C -1.337 175.230 176.600 -0.055 0.000 0.972 1482 K CA -0.920 55.336 56.287 -0.051 0.000 0.821 1482 K CB 0.960 33.437 32.500 -0.039 0.000 1.249 1482 K HN 0.136 nan 8.250 nan 0.000 0.442 1483 L N 3.466 124.620 121.223 -0.114 0.000 2.530 1483 L HA 0.173 4.512 4.340 -0.002 0.000 0.273 1483 L C -0.990 175.810 176.870 -0.116 0.000 1.141 1483 L CA 0.401 55.141 54.840 -0.167 0.000 0.905 1483 L CB -0.056 41.770 42.059 -0.389 0.000 1.202 1483 L HN 0.832 nan 8.230 nan 0.000 0.473 1484 c N 5.332 123.950 118.600 0.031 0.000 2.399 1484 c HA 0.767 5.336 4.570 -0.002 0.000 0.348 1484 c C 0.165 174.405 174.090 0.249 0.000 1.183 1484 c CA -0.859 55.552 56.329 0.138 0.000 2.023 1484 c CB 1.484 44.057 42.510 0.106 0.000 2.361 1484 c HN 0.889 nan 8.230 nan 0.000 0.521 1485 R N 1.615 122.287 120.500 0.288 0.000 2.745 1485 R HA 0.264 4.603 4.340 -0.002 0.000 0.290 1485 R C -0.687 175.677 176.300 0.107 0.000 1.260 1485 R CA -0.103 56.136 56.100 0.232 0.000 1.045 1485 R CB 0.470 30.977 30.300 0.344 0.000 1.257 1485 R HN 0.989 nan 8.270 nan 0.000 0.400 1486 D N 2.164 122.611 120.400 0.079 0.000 4.365 1486 D HA -0.281 4.358 4.640 -0.002 0.000 0.211 1486 D C 0.420 176.747 176.300 0.046 0.000 1.059 1486 D CA 2.347 56.372 54.000 0.042 0.000 2.239 1486 D CB -0.333 40.464 40.800 -0.004 0.000 1.164 1486 D HN 0.750 nan 8.370 nan 0.000 0.406 1487 E N -0.933 119.292 120.200 0.042 0.000 2.722 1487 E HA 0.178 4.527 4.350 -0.002 0.000 0.179 1487 E C -0.964 175.668 176.600 0.052 0.000 0.918 1487 E CA -0.124 56.303 56.400 0.044 0.000 1.334 1487 E CB 0.597 30.313 29.700 0.027 0.000 1.064 1487 E HN 0.124 nan 8.360 nan 0.000 0.513 1488 L N 1.714 122.985 121.223 0.081 0.000 2.316 1488 L HA 0.530 4.869 4.340 -0.002 0.000 0.280 1488 L C -1.362 175.683 176.870 0.291 0.000 1.006 1488 L CA -0.400 54.520 54.840 0.134 0.000 0.836 1488 L CB 0.952 43.039 42.059 0.048 0.000 1.221 1488 L HN 0.064 nan 8.230 nan 0.000 0.418 1489 c N 4.777 123.493 118.600 0.193 0.000 2.493 1489 c HA 0.830 5.399 4.570 -0.002 0.000 0.326 1489 c C -0.288 173.852 174.090 0.083 0.000 1.200 1489 c CA -0.810 55.602 56.329 0.139 0.000 1.739 1489 c CB 1.737 44.287 42.510 0.067 0.000 2.300 1489 c HN 0.894 nan 8.230 nan 0.000 0.500 1490 R N 1.404 121.894 120.500 -0.016 0.000 2.561 1490 R HA 0.590 4.929 4.340 -0.002 0.000 0.297 1490 R C -0.829 175.435 176.300 -0.059 0.000 0.969 1490 R CA -0.305 55.772 56.100 -0.039 0.000 0.879 1490 R CB 0.666 30.918 30.300 -0.081 0.000 1.178 1490 R HN 0.721 nan 8.270 nan 0.000 0.445 1491 c N 3.199 121.785 118.600 -0.023 0.000 2.638 1491 c HA 0.362 4.931 4.570 -0.002 0.000 0.410 1491 c C 0.994 175.071 174.090 -0.022 0.000 1.404 1491 c CA 0.264 56.582 56.329 -0.018 0.000 1.651 1491 c CB -1.036 41.478 42.510 0.006 0.000 2.495 1491 c HN 0.834 nan 8.230 nan 0.000 0.606 1492 A N 6.022 128.819 122.820 -0.037 0.000 3.213 1492 A HA 0.372 4.691 4.320 -0.002 0.000 0.308 1492 A C 0.421 177.991 177.584 -0.023 0.000 1.177 1492 A CA -0.015 52.001 52.037 -0.035 0.000 1.010 1492 A CB -0.180 18.788 19.000 -0.054 0.000 1.092 1492 A HN 0.883 nan 8.150 nan 0.000 0.583 1493 E N 1.748 121.943 120.200 -0.008 0.000 3.012 1493 E HA 0.161 4.510 4.350 -0.002 0.000 0.228 1493 E C -0.128 176.479 176.600 0.011 0.000 1.184 1493 E CA 0.092 56.489 56.400 -0.005 0.000 1.407 1493 E CB 0.188 29.883 29.700 -0.008 0.000 1.438 1493 E HN 0.928 nan 8.360 nan 0.000 0.435 1494 E N -0.683 119.519 120.200 0.002 0.000 2.442 1494 E HA 0.384 4.733 4.350 -0.002 0.000 0.261 1494 E C -0.281 176.305 176.600 -0.023 0.000 0.935 1494 E CA -0.955 55.446 56.400 0.000 0.000 0.856 1494 E CB 0.490 30.196 29.700 0.009 0.000 1.571 1494 E HN -0.208 nan 8.360 nan 0.000 0.431 1495 N N -0.460 118.216 118.700 -0.040 0.000 2.260 1495 N HA 0.053 4.792 4.740 -0.002 0.000 0.230 1495 N C 0.616 176.064 175.510 -0.104 0.000 1.323 1495 N CA -0.175 52.820 53.050 -0.091 0.000 0.897 1495 N CB 0.117 38.534 38.487 -0.116 0.000 1.146 1495 N HN 0.521 nan 8.380 nan 0.000 0.460 1496 c N -0.821 117.653 118.600 -0.211 0.000 2.631 1496 c HA 0.188 4.757 4.570 -0.002 0.000 0.283 1496 c C 0.816 174.874 174.090 -0.053 0.000 1.295 1496 c CA 0.428 56.655 56.329 -0.170 0.000 1.697 1496 c CB -1.064 41.267 42.510 -0.298 0.000 2.128 1496 c HN 0.743 nan 8.230 nan 0.000 0.503 1497 F N -2.273 117.640 119.950 -0.062 0.000 2.824 1497 F HA 0.644 5.170 4.527 -0.002 0.000 0.330 1497 F C 0.710 176.476 175.800 -0.057 0.000 1.175 1497 F CA -1.320 56.637 58.000 -0.072 0.000 0.974 1497 F CB -0.302 38.613 39.000 -0.143 0.000 1.430 1497 F HN -0.109 nan 8.300 nan 0.000 0.507 1498 I N 0.233 120.948 120.570 0.242 0.000 2.082 1498 I HA -0.270 3.899 4.170 -0.002 0.000 0.221 1498 I C 1.406 177.577 176.117 0.090 0.000 1.010 1498 I CA 2.483 63.882 61.300 0.165 0.000 1.322 1498 I CB -0.514 37.636 38.000 0.250 0.000 1.044 1498 I HN 0.830 nan 8.210 nan 0.000 0.384 1499 Q N -0.018 119.852 119.800 0.117 0.000 3.024 1499 Q HA 0.535 4.874 4.340 -0.002 0.000 0.262 1499 Q C -0.734 175.307 176.000 0.068 0.000 1.077 1499 Q CA -0.902 54.929 55.803 0.047 0.000 0.549 1499 Q CB 1.361 30.140 28.738 0.069 0.000 4.587 1499 Q HN 0.169 nan 8.270 nan 0.000 0.284 1504 K N 0.300 120.728 120.400 0.046 0.000 2.529 1504 K HA 0.172 4.490 4.320 -0.002 0.000 0.215 1504 K C 0.110 176.747 176.600 0.063 0.000 1.286 1504 K CA 0.326 56.638 56.287 0.041 0.000 0.997 1504 K CB 2.426 34.944 32.500 0.030 0.000 1.063 1504 K HN -0.033 nan 8.250 nan 0.000 0.590 1505 V N 2.062 122.032 119.914 0.093 0.000 5.887 1505 V HA -0.260 3.859 4.120 -0.002 0.000 0.167 1505 V C 0.382 176.530 176.094 0.089 0.000 0.718 1505 V CA 0.780 63.160 62.300 0.134 0.000 0.553 1505 V CB -2.909 29.068 31.823 0.258 0.000 0.464 1505 V HN 0.467 nan 8.190 nan 0.000 0.392 1506 T N 1.022 115.613 114.554 0.061 0.000 2.773 1506 T HA 0.444 4.793 4.350 -0.002 0.000 0.337 1506 T C 1.172 175.899 174.700 0.045 0.000 1.086 1506 T CA 0.430 62.556 62.100 0.043 0.000 0.998 1506 T CB 1.197 70.085 68.868 0.032 0.000 1.281 1506 T HN 0.638 nan 8.240 nan 0.000 0.525 1507 L N 0.159 121.410 121.223 0.046 0.000 2.023 1507 L HA -0.013 4.326 4.340 -0.002 0.000 0.205 1507 L C 2.890 179.809 176.870 0.081 0.000 1.073 1507 L CA 1.583 56.469 54.840 0.077 0.000 0.745 1507 L CB -0.546 41.554 42.059 0.068 0.000 0.900 1507 L HN 0.701 nan 8.230 nan 0.000 0.435 1508 E N 0.003 120.228 120.200 0.041 0.000 2.209 1508 E HA -0.216 4.133 4.350 -0.002 0.000 0.196 1508 E C 2.036 178.647 176.600 0.019 0.000 0.993 1508 E CA 0.914 57.327 56.400 0.021 0.000 0.819 1508 E CB -0.083 29.619 29.700 0.004 0.000 0.745 1508 E HN 0.444 nan 8.360 nan 0.000 0.477 1509 E N 0.432 120.648 120.200 0.027 0.000 2.047 1509 E HA -0.119 4.230 4.350 -0.002 0.000 0.191 1509 E C 2.058 178.648 176.600 -0.017 0.000 0.987 1509 E CA 0.880 57.292 56.400 0.020 0.000 0.799 1509 E CB -0.192 29.539 29.700 0.051 0.000 0.752 1509 E HN 0.298 nan 8.360 nan 0.000 0.449 1510 R N 0.408 120.899 120.500 -0.016 0.000 2.115 1510 R HA -0.000 4.338 4.340 -0.002 0.000 0.230 1510 R C 2.651 178.989 176.300 0.063 0.000 1.111 1510 R CA 0.612 56.656 56.100 -0.093 0.000 0.976 1510 R CB -0.312 29.853 30.300 -0.225 0.000 0.870 1510 R HN 0.149 nan 8.270 nan 0.000 0.445 1511 L N 0.639 121.946 121.223 0.139 0.000 1.994 1511 L HA -0.216 4.123 4.340 -0.002 0.000 0.208 1511 L C 1.766 178.580 176.870 -0.092 0.000 1.071 1511 L CA 1.359 56.225 54.840 0.042 0.000 0.745 1511 L CB -0.490 41.563 42.059 -0.010 0.000 0.892 1511 L HN 0.113 nan 8.230 nan 0.000 0.431 1512 D N 0.070 120.419 120.400 -0.085 0.000 2.117 1512 D HA -0.147 4.492 4.640 -0.002 0.000 0.198 1512 D C 2.218 178.421 176.300 -0.163 0.000 0.982 1512 D CA 1.121 55.059 54.000 -0.104 0.000 0.828 1512 D CB -0.073 40.692 40.800 -0.059 0.000 0.967 1512 D HN 0.212 nan 8.370 nan 0.000 0.464 1513 K N 0.291 120.576 120.400 -0.191 0.000 2.147 1513 K HA 0.014 4.333 4.320 -0.002 0.000 0.205 1513 K C 1.831 178.067 176.600 -0.607 0.000 1.049 1513 K CA 1.071 57.212 56.287 -0.242 0.000 0.936 1513 K CB 0.030 32.464 32.500 -0.110 0.000 0.722 1513 K HN 0.035 nan 8.250 nan 0.000 0.446 1514 A N -0.106 122.199 122.820 -0.858 0.000 2.218 1514 A HA -0.017 4.302 4.320 -0.002 0.000 0.209 1514 A C 1.629 178.862 177.584 -0.584 0.000 1.168 1514 A CA 0.449 51.776 52.037 -1.184 0.000 0.804 1514 A CB -0.080 18.338 19.000 -0.970 0.000 0.834 1514 A HN 0.334 nan 8.150 nan 0.000 0.482 1515 c N 0.484 118.862 118.600 -0.369 0.000 3.104 1515 c HA 0.230 4.798 4.570 -0.002 0.000 0.284 1515 c C 0.627 174.615 174.090 -0.170 0.000 1.326 1515 c CA -0.822 55.370 56.329 -0.228 0.000 1.725 1515 c CB -1.271 41.138 42.510 -0.167 0.000 2.156 1515 c HN 0.554 nan 8.230 nan 0.000 0.638 1516 E N 2.250 122.337 120.200 -0.187 0.000 2.437 1516 E HA -0.007 4.342 4.350 -0.002 0.000 0.263 1516 E C -1.494 175.055 176.600 -0.084 0.000 1.030 1516 E CA -0.631 55.703 56.400 -0.110 0.000 0.934 1516 E CB 0.467 30.114 29.700 -0.088 0.000 0.943 1516 E HN 0.183 nan 8.360 nan 0.000 0.444 1517 P HA -0.203 nan 4.420 nan 0.000 0.216 1517 P C 1.310 178.603 177.300 -0.011 0.000 1.153 1517 P CA 1.522 64.608 63.100 -0.024 0.000 0.858 1517 P CB 0.054 31.749 31.700 -0.009 0.000 0.789 1518 G N -0.237 108.562 108.800 -0.002 0.000 2.421 1518 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.216 1518 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.216 1518 G C 0.434 175.346 174.900 0.019 0.000 1.171 1518 G CA 0.241 45.356 45.100 0.025 0.000 0.775 1518 G HN 0.192 nan 8.290 nan 0.000 0.543 1519 V N 1.743 121.636 119.914 -0.036 0.000 2.557 1519 V HA 0.048 4.167 4.120 -0.002 0.000 0.301 1519 V C 1.202 177.259 176.094 -0.063 0.000 1.026 1519 V CA 0.890 63.134 62.300 -0.092 0.000 1.137 1519 V CB 1.285 32.934 31.823 -0.291 0.000 0.917 1519 V HN 0.413 nan 8.190 nan 0.000 0.484 1520 D N 3.514 123.901 120.400 -0.021 0.000 2.735 1520 D HA 0.068 4.707 4.640 -0.002 0.000 0.267 1520 D C 0.373 176.744 176.300 0.118 0.000 1.081 1520 D CA 0.580 54.648 54.000 0.114 0.000 0.980 1520 D CB 0.242 41.240 40.800 0.330 0.000 1.129 1520 D HN 0.573 nan 8.370 nan 0.000 0.459 1521 Y N -0.673 119.683 120.300 0.094 0.000 2.496 1521 Y HA 0.680 5.228 4.550 -0.002 0.000 0.331 1521 Y C -0.908 174.882 175.900 -0.183 0.000 1.140 1521 Y CA -1.369 56.670 58.100 -0.102 0.000 1.166 1521 Y CB 1.483 39.857 38.460 -0.143 0.000 1.249 1521 Y HN -0.238 nan 8.280 nan 0.000 0.479 1522 V N 3.730 123.501 119.914 -0.238 0.000 2.509 1522 V HA 0.303 4.422 4.120 -0.002 0.000 0.289 1522 V C -1.471 174.630 176.094 0.013 0.000 1.026 1522 V CA -0.831 61.464 62.300 -0.007 0.000 0.872 1522 V CB 0.214 32.123 31.823 0.143 0.000 1.017 1522 V HN 0.744 nan 8.190 nan 0.000 0.436 1523 Y N 1.753 122.297 120.300 0.407 0.000 2.562 1523 Y HA 0.619 5.168 4.550 -0.002 0.000 0.343 1523 Y C 0.227 176.239 175.900 0.186 0.000 1.025 1523 Y CA -1.817 56.438 58.100 0.258 0.000 1.082 1523 Y CB 1.802 40.388 38.460 0.210 0.000 1.264 1523 Y HN 0.468 nan 8.280 nan 0.000 0.478 1524 K N 2.043 122.584 120.400 0.235 0.000 2.414 1524 K HA 0.412 4.731 4.320 -0.002 0.000 0.251 1524 K C -0.990 175.611 176.600 0.002 0.000 1.037 1524 K CA -0.296 55.990 56.287 -0.001 0.000 0.980 1524 K CB 0.263 32.564 32.500 -0.332 0.000 1.280 1524 K HN 0.890 nan 8.250 nan 0.000 0.451 1525 T N 0.525 115.114 114.554 0.058 0.000 2.952 1525 T HA 0.442 4.791 4.350 -0.002 0.000 0.286 1525 T C -0.314 174.407 174.700 0.036 0.000 1.024 1525 T CA -1.015 61.103 62.100 0.030 0.000 1.029 1525 T CB 1.721 70.576 68.868 -0.022 0.000 1.094 1525 T HN 0.531 nan 8.240 nan 0.000 0.515 1526 R N 1.299 121.779 120.500 -0.034 0.000 2.409 1526 R HA 0.434 4.772 4.340 -0.002 0.000 0.313 1526 R C -1.040 175.197 176.300 -0.105 0.000 0.953 1526 R CA -0.997 54.986 56.100 -0.195 0.000 0.849 1526 R CB 0.971 31.064 30.300 -0.346 0.000 1.171 1526 R HN 0.607 nan 8.270 nan 0.000 0.458 1527 L N 6.722 127.922 121.223 -0.039 0.000 2.623 1527 L HA 0.040 4.379 4.340 -0.002 0.000 0.281 1527 L C 0.363 177.229 176.870 -0.007 0.000 1.150 1527 L CA 0.626 55.468 54.840 0.005 0.000 0.965 1527 L CB 0.715 42.821 42.059 0.077 0.000 1.303 1527 L HN 0.617 nan 8.230 nan 0.000 0.467 1528 V N 3.789 123.700 119.914 -0.006 0.000 2.255 1528 V HA -0.017 4.102 4.120 -0.002 0.000 0.243 1528 V C 1.123 177.223 176.094 0.010 0.000 1.038 1528 V CA 1.270 63.567 62.300 -0.005 0.000 1.008 1528 V CB -0.490 31.334 31.823 0.002 0.000 0.645 1528 V HN 0.789 nan 8.190 nan 0.000 0.449 1529 K N -0.428 119.986 120.400 0.023 0.000 2.426 1529 K HA 0.623 4.942 4.320 -0.002 0.000 0.251 1529 K C -1.925 174.679 176.600 0.006 0.000 0.941 1529 K CA -0.474 55.820 56.287 0.013 0.000 0.808 1529 K CB 2.598 35.102 32.500 0.008 0.000 1.265 1529 K HN 0.002 nan 8.250 nan 0.000 0.432 1530 V N 3.326 123.221 119.914 -0.031 0.000 2.588 1530 V HA 0.399 4.518 4.120 -0.002 0.000 0.304 1530 V C -0.897 175.106 176.094 -0.152 0.000 1.042 1530 V CA -0.782 61.448 62.300 -0.118 0.000 0.877 1530 V CB 1.673 33.444 31.823 -0.088 0.000 0.996 1530 V HN 0.798 nan 8.190 nan 0.000 0.425 1531 Q N 3.527 123.190 119.800 -0.228 0.000 2.394 1531 Q HA 0.694 5.033 4.340 -0.002 0.000 0.273 1531 Q C -1.803 174.063 176.000 -0.224 0.000 1.089 1531 Q CA -0.972 54.721 55.803 -0.184 0.000 0.812 1531 Q CB 2.968 31.620 28.738 -0.145 0.000 1.353 1531 Q HN 0.519 nan 8.270 nan 0.000 0.438 1532 L N 1.924 123.044 121.223 -0.172 0.000 2.384 1532 L HA 0.337 4.676 4.340 -0.002 0.000 0.261 1532 L C -0.738 176.033 176.870 -0.164 0.000 1.024 1532 L CA -0.132 54.611 54.840 -0.162 0.000 0.899 1532 L CB 1.368 43.358 42.059 -0.115 0.000 1.243 1532 L HN 0.544 nan 8.230 nan 0.000 0.449 1533 S N 1.321 116.881 115.700 -0.233 0.000 2.640 1533 S HA 0.635 5.104 4.470 -0.002 0.000 0.320 1533 S C 0.514 174.947 174.600 -0.279 0.000 1.097 1533 S CA -0.780 57.263 58.200 -0.261 0.000 1.092 1533 S CB 1.378 64.372 63.200 -0.342 0.000 0.988 1533 S HN 0.521 nan 8.310 nan 0.000 0.470 1534 N N 3.200 121.806 118.700 -0.157 0.000 1.238 1534 N HA -0.313 4.426 4.740 -0.002 0.000 0.139 1534 N C 0.908 176.373 175.510 -0.076 0.000 0.512 1534 N CA 2.432 55.425 53.050 -0.096 0.000 1.011 1534 N CB -1.350 37.097 38.487 -0.066 0.000 1.386 1534 N HN 0.868 nan 8.380 nan 0.000 0.471 1535 D N 1.307 121.695 120.400 -0.021 0.000 2.077 1535 D HA -0.117 4.521 4.640 -0.002 0.000 0.193 1535 D C 0.980 177.353 176.300 0.122 0.000 0.989 1535 D CA 1.560 55.616 54.000 0.093 0.000 0.831 1535 D CB -0.852 40.084 40.800 0.227 0.000 0.979 1535 D HN 0.574 nan 8.370 nan 0.000 0.449 1536 F N 0.868 120.825 119.950 0.012 0.000 2.436 1536 F HA 0.526 5.052 4.527 -0.002 0.000 0.340 1536 F C -0.507 175.290 175.800 -0.005 0.000 1.113 1536 F CA -1.830 56.171 58.000 0.002 0.000 1.022 1536 F CB 0.793 39.806 39.000 0.021 0.000 1.128 1536 F HN -0.362 nan 8.300 nan 0.000 0.466 1537 D N 2.765 123.189 120.400 0.041 0.000 2.341 1537 D HA 0.240 4.879 4.640 -0.002 0.000 0.245 1537 D C -0.603 175.694 176.300 -0.004 0.000 1.106 1537 D CA -0.092 53.869 54.000 -0.065 0.000 0.905 1537 D CB 1.134 41.911 40.800 -0.038 0.000 1.202 1537 D HN 0.702 nan 8.370 nan 0.000 0.426 1538 E N 0.852 120.951 120.200 -0.169 0.000 2.241 1538 E HA 0.271 4.620 4.350 -0.002 0.000 0.263 1538 E C -1.040 175.426 176.600 -0.224 0.000 0.882 1538 E CA -0.693 55.679 56.400 -0.046 0.000 0.769 1538 E CB 1.412 31.113 29.700 0.003 0.000 1.185 1538 E HN 0.326 nan 8.360 nan 0.000 0.415 1539 Y N 2.316 122.697 120.300 0.134 0.000 2.356 1539 Y HA 0.364 4.913 4.550 -0.002 0.000 0.334 1539 Y C 0.077 176.060 175.900 0.139 0.000 0.958 1539 Y CA -0.706 57.440 58.100 0.078 0.000 1.196 1539 Y CB 0.876 39.336 38.460 -0.000 0.000 1.137 1539 Y HN 0.396 nan 8.280 nan 0.000 0.485 1540 I N 5.591 126.277 120.570 0.195 0.000 2.291 1540 I HA 0.200 4.369 4.170 -0.002 0.000 0.292 1540 I C -0.407 175.778 176.117 0.114 0.000 1.064 1540 I CA -0.150 61.253 61.300 0.172 0.000 1.269 1540 I CB 0.214 38.277 38.000 0.104 0.000 1.418 1540 I HN 0.473 nan 8.210 nan 0.000 0.485 1541 M N 4.949 124.625 119.600 0.128 0.000 2.478 1541 M HA 0.561 5.040 4.480 -0.002 0.000 0.327 1541 M C -0.053 176.261 176.300 0.023 0.000 1.187 1541 M CA -0.611 54.694 55.300 0.009 0.000 1.022 1541 M CB 1.690 34.194 32.600 -0.161 0.000 1.629 1541 M HN 0.519 nan 8.290 nan 0.000 0.461 1542 A N 3.303 126.113 122.820 -0.017 0.000 2.285 1542 A HA 0.648 4.967 4.320 -0.002 0.000 0.310 1542 A C -0.213 177.349 177.584 -0.037 0.000 1.266 1542 A CA -0.651 51.373 52.037 -0.022 0.000 0.832 1542 A CB 0.127 19.117 19.000 -0.017 0.000 1.163 1542 A HN 0.858 nan 8.150 nan 0.000 0.499 1543 I N 3.187 123.713 120.570 -0.074 0.000 2.578 1543 I HA 0.004 4.173 4.170 -0.002 0.000 0.286 1543 I C 0.920 177.008 176.117 -0.047 0.000 1.126 1543 I CA -0.044 61.197 61.300 -0.098 0.000 1.380 1543 I CB 0.532 38.384 38.000 -0.247 0.000 1.408 1543 I HN 0.742 nan 8.210 nan 0.000 0.532 1544 E N 5.553 125.738 120.200 -0.024 0.000 2.122 1544 E HA -0.078 4.271 4.350 -0.002 0.000 0.190 1544 E C 0.268 176.848 176.600 -0.033 0.000 0.977 1544 E CA 0.801 57.180 56.400 -0.035 0.000 0.820 1544 E CB 0.213 29.870 29.700 -0.072 0.000 0.770 1544 E HN 0.786 nan 8.360 nan 0.000 0.462 1545 Q N -0.545 119.252 119.800 -0.005 0.000 2.352 1545 Q HA 0.279 4.618 4.340 -0.002 0.000 0.270 1545 Q C -1.079 175.007 176.000 0.143 0.000 1.006 1545 Q CA -0.575 55.251 55.803 0.037 0.000 0.880 1545 Q CB 0.960 29.701 28.738 0.004 0.000 1.392 1545 Q HN -0.112 nan 8.270 nan 0.000 0.401 1546 T N 0.954 115.613 114.554 0.175 0.000 2.992 1546 T HA 0.336 4.685 4.350 -0.002 0.000 0.299 1546 T C 1.089 175.926 174.700 0.228 0.000 1.027 1546 T CA -0.498 61.792 62.100 0.317 0.000 1.001 1546 T CB -0.332 68.712 68.868 0.292 0.000 1.005 1546 T HN 0.660 nan 8.240 nan 0.000 0.599 1547 I N 0.883 121.592 120.570 0.231 0.000 2.163 1547 I HA -0.052 4.117 4.170 -0.002 0.000 0.243 1547 I C 1.604 177.781 176.117 0.101 0.000 1.085 1547 I CA 1.240 62.633 61.300 0.155 0.000 1.347 1547 I CB -0.004 38.123 38.000 0.211 0.000 1.044 1547 I HN 0.504 nan 8.210 nan 0.000 0.408 1548 K N 1.339 121.807 120.400 0.113 0.000 2.604 1548 K HA 0.260 4.579 4.320 -0.002 0.000 0.247 1548 K C -0.825 175.855 176.600 0.133 0.000 0.956 1548 K CA -0.296 56.035 56.287 0.074 0.000 0.896 1548 K CB 1.367 33.873 32.500 0.010 0.000 1.131 1548 K HN -0.094 nan 8.250 nan 0.000 0.440 1549 S N 2.114 117.908 115.700 0.156 0.000 2.555 1549 S HA 0.080 4.549 4.470 -0.002 0.000 0.293 1549 S C 0.640 175.360 174.600 0.201 0.000 1.248 1549 S CA -0.139 58.188 58.200 0.211 0.000 1.096 1549 S CB 0.861 64.153 63.200 0.152 0.000 0.881 1549 S HN 0.745 nan 8.310 nan 0.000 0.498 1550 G N 1.861 110.839 108.800 0.297 0.000 2.582 1550 G HA2 0.301 4.260 3.960 -0.002 0.000 0.232 1550 G HA3 0.301 4.260 3.960 -0.002 0.000 0.232 1550 G C 0.892 175.926 174.900 0.222 0.000 1.458 1550 G CA -0.133 45.145 45.100 0.297 0.000 1.062 1550 G HN 0.718 nan 8.290 nan 0.000 0.566 1551 S N -1.311 114.508 115.700 0.198 0.000 2.631 1551 S HA 0.090 4.558 4.470 -0.002 0.000 0.217 1551 S C 0.141 174.726 174.600 -0.024 0.000 0.958 1551 S CA 0.381 58.603 58.200 0.037 0.000 0.920 1551 S CB 0.121 63.282 63.200 -0.065 0.000 0.776 1551 S HN 0.415 nan 8.310 nan 0.000 0.517 1552 D N 2.320 122.793 120.400 0.123 0.000 2.414 1552 D HA 0.181 4.820 4.640 -0.002 0.000 0.232 1552 D C -0.616 175.777 176.300 0.156 0.000 1.070 1552 D CA -0.354 53.715 54.000 0.115 0.000 0.839 1552 D CB 0.846 41.815 40.800 0.281 0.000 1.079 1552 D HN -0.006 nan 8.370 nan 0.000 0.521 1553 E N 2.689 122.935 120.200 0.077 0.000 1.833 1553 E HA 0.108 4.457 4.350 -0.002 0.000 0.258 1553 E C -0.513 176.128 176.600 0.069 0.000 1.257 1553 E CA -0.003 56.440 56.400 0.071 0.000 1.003 1553 E CB 0.740 30.460 29.700 0.034 0.000 1.068 1553 E HN 0.182 nan 8.360 nan 0.000 0.422 1554 V N 3.353 123.319 119.914 0.086 0.000 2.588 1554 V HA 0.246 4.365 4.120 -0.002 0.000 0.304 1554 V C -0.903 175.202 176.094 0.018 0.000 1.042 1554 V CA -0.693 61.628 62.300 0.035 0.000 0.877 1554 V CB 2.108 33.925 31.823 -0.010 0.000 0.996 1554 V HN 0.416 nan 8.190 nan 0.000 0.425 1555 Q N 3.354 123.155 119.800 0.002 0.000 2.204 1555 Q HA 0.623 4.962 4.340 -0.002 0.000 0.254 1555 Q C -0.544 175.445 176.000 -0.018 0.000 0.981 1555 Q CA -0.516 55.289 55.803 0.004 0.000 0.897 1555 Q CB 1.927 30.670 28.738 0.009 0.000 1.273 1555 Q HN 0.655 nan 8.270 nan 0.000 0.464 1556 V N 1.359 121.267 119.914 -0.009 0.000 2.694 1556 V HA 0.280 4.399 4.120 -0.002 0.000 0.306 1556 V C 1.332 177.416 176.094 -0.017 0.000 1.054 1556 V CA 1.916 64.206 62.300 -0.017 0.000 1.161 1556 V CB 0.166 31.985 31.823 -0.006 0.000 0.916 1556 V HN 1.009 nan 8.190 nan 0.000 0.490 1557 G N 3.199 111.986 108.800 -0.022 0.000 2.259 1557 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.217 1557 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.217 1557 G C 0.187 175.079 174.900 -0.014 0.000 1.001 1557 G CA 0.087 45.179 45.100 -0.013 0.000 0.627 1557 G HN 0.634 nan 8.290 nan 0.000 0.501 1558 Q N 0.338 120.125 119.800 -0.023 0.000 2.396 1558 Q HA 0.612 4.951 4.340 -0.002 0.000 0.221 1558 Q C 0.055 176.043 176.000 -0.021 0.000 1.025 1558 Q CA 0.109 55.901 55.803 -0.018 0.000 0.946 1558 Q CB 0.538 29.264 28.738 -0.019 0.000 1.224 1558 Q HN 0.532 nan 8.270 nan 0.000 0.539 1559 Q N 0.666 120.467 119.800 0.000 0.000 2.365 1559 Q HA 0.515 4.854 4.340 -0.002 0.000 0.269 1559 Q C -0.909 175.117 176.000 0.042 0.000 1.061 1559 Q CA -0.841 54.974 55.803 0.020 0.000 0.816 1559 Q CB 1.929 30.688 28.738 0.036 0.000 1.325 1559 Q HN 0.196 nan 8.270 nan 0.000 0.446 1560 R N 1.044 121.589 120.500 0.075 0.000 2.621 1560 R HA 0.472 4.811 4.340 -0.002 0.000 0.292 1560 R C -0.979 175.448 176.300 0.213 0.000 0.969 1560 R CA -0.586 55.572 56.100 0.097 0.000 0.887 1560 R CB 2.172 32.445 30.300 -0.044 0.000 1.180 1560 R HN 0.578 nan 8.270 nan 0.000 0.450 1561 T N 3.625 118.282 114.554 0.171 0.000 2.806 1561 T HA 0.493 4.842 4.350 -0.002 0.000 0.290 1561 T C -0.284 174.541 174.700 0.209 0.000 0.966 1561 T CA 0.011 62.264 62.100 0.256 0.000 1.060 1561 T CB 0.255 69.254 68.868 0.218 0.000 0.927 1561 T HN 0.153 nan 8.240 nan 0.000 0.485 1562 F N 2.150 122.220 119.950 0.201 0.000 2.492 1562 F HA 0.651 5.177 4.527 -0.002 0.000 0.327 1562 F C 0.305 176.269 175.800 0.273 0.000 1.079 1562 F CA -1.421 56.713 58.000 0.223 0.000 0.967 1562 F CB 1.157 40.249 39.000 0.154 0.000 1.169 1562 F HN 0.318 nan 8.300 nan 0.000 0.472 1563 I N 1.473 122.264 120.570 0.369 0.000 2.545 1563 I HA 0.515 4.684 4.170 -0.002 0.000 0.292 1563 I C -0.645 175.617 176.117 0.241 0.000 1.040 1563 I CA -0.524 60.949 61.300 0.289 0.000 1.068 1563 I CB 2.136 40.230 38.000 0.156 0.000 1.251 1563 I HN 0.481 nan 8.210 nan 0.000 0.424 1564 S N 6.321 122.174 115.700 0.255 0.000 2.543 1564 S HA 0.589 5.058 4.470 -0.002 0.000 0.271 1564 S C -2.805 171.884 174.600 0.148 0.000 1.148 1564 S CA -1.113 57.202 58.200 0.192 0.000 0.914 1564 S CB 2.039 65.373 63.200 0.223 0.000 1.096 1564 S HN 0.203 nan 8.310 nan 0.000 0.471 1565 P HA 0.173 nan 4.420 nan 0.000 0.269 1565 P C 0.994 178.332 177.300 0.063 0.000 1.217 1565 P CA -0.456 62.675 63.100 0.051 0.000 0.783 1565 P CB 0.331 32.044 31.700 0.021 0.000 0.898 1566 I N 1.682 122.274 120.570 0.038 0.000 2.315 1566 I HA -0.210 3.959 4.170 -0.002 0.000 0.248 1566 I C 2.043 178.180 176.117 0.034 0.000 1.117 1566 I CA 1.748 63.069 61.300 0.035 0.000 1.404 1566 I CB -1.184 36.824 38.000 0.013 0.000 1.071 1566 I HN 0.536 nan 8.210 nan 0.000 0.419 1567 K N 0.414 120.825 120.400 0.019 0.000 2.281 1567 K HA -0.155 4.164 4.320 -0.002 0.000 0.203 1567 K C 1.818 178.425 176.600 0.012 0.000 1.046 1567 K CA 1.591 57.884 56.287 0.009 0.000 0.938 1567 K CB -0.527 31.970 32.500 -0.005 0.000 0.737 1567 K HN 0.276 nan 8.250 nan 0.000 0.458 1568 c N 0.599 119.217 118.600 0.031 0.000 2.926 1568 c HA 0.261 4.830 4.570 -0.002 0.000 0.272 1568 c C 2.413 176.555 174.090 0.087 0.000 1.249 1568 c CA -0.633 55.722 56.329 0.043 0.000 1.691 1568 c CB -0.764 41.778 42.510 0.053 0.000 1.983 1568 c HN 0.550 nan 8.230 nan 0.000 0.615 1569 R N 2.029 122.585 120.500 0.092 0.000 2.105 1569 R HA -0.193 4.146 4.340 -0.002 0.000 0.239 1569 R C 2.064 178.415 176.300 0.085 0.000 1.135 1569 R CA 1.775 57.947 56.100 0.120 0.000 0.967 1569 R CB -0.257 30.111 30.300 0.113 0.000 0.861 1569 R HN 0.657 nan 8.270 nan 0.000 0.442 1570 E N -0.434 119.801 120.200 0.059 0.000 2.153 1570 E HA -0.171 4.178 4.350 -0.002 0.000 0.194 1570 E C 1.598 178.230 176.600 0.053 0.000 0.988 1570 E CA 1.134 57.560 56.400 0.044 0.000 0.811 1570 E CB -0.038 29.678 29.700 0.027 0.000 0.746 1570 E HN 0.503 nan 8.360 nan 0.000 0.466 1571 A N 0.542 123.409 122.820 0.079 0.000 1.970 1571 A HA -0.004 4.315 4.320 -0.002 0.000 0.216 1571 A C 2.082 179.780 177.584 0.189 0.000 1.170 1571 A CA 0.458 52.581 52.037 0.144 0.000 0.645 1571 A CB -0.278 18.800 19.000 0.130 0.000 0.816 1571 A HN 0.256 nan 8.150 nan 0.000 0.447 1572 L N -0.852 120.441 121.223 0.116 0.000 2.072 1572 L HA -0.131 4.208 4.340 -0.002 0.000 0.205 1572 L C 1.272 178.088 176.870 -0.089 0.000 1.079 1572 L CA 1.249 56.046 54.840 -0.072 0.000 0.752 1572 L CB -0.449 41.510 42.059 -0.167 0.000 0.906 1572 L HN 0.569 nan 8.230 nan 0.000 0.436 1573 K N 0.212 120.608 120.400 -0.007 0.000 3.010 1573 K HA -0.224 4.095 4.320 -0.002 0.000 0.255 1573 K C -0.477 176.132 176.600 0.014 0.000 0.929 1573 K CA 0.992 57.288 56.287 0.015 0.000 0.687 1573 K CB -2.846 29.663 32.500 0.015 0.000 1.304 1573 K HN 0.276 nan 8.250 nan 0.000 0.479 1574 L N 0.885 122.086 121.223 -0.038 0.000 2.453 1574 L HA 0.150 4.489 4.340 -0.002 0.000 0.272 1574 L C 0.685 177.615 176.870 0.099 0.000 1.182 1574 L CA 0.337 55.141 54.840 -0.059 0.000 0.858 1574 L CB 0.367 42.224 42.059 -0.336 0.000 1.120 1574 L HN 0.306 nan 8.230 nan 0.000 0.474 1575 E N 2.642 122.958 120.200 0.194 0.000 2.199 1575 E HA 0.302 4.651 4.350 -0.002 0.000 0.269 1575 E C -0.874 175.822 176.600 0.159 0.000 0.899 1575 E CA -0.796 55.695 56.400 0.151 0.000 0.772 1575 E CB 1.956 31.729 29.700 0.123 0.000 1.155 1575 E HN 0.506 nan 8.360 nan 0.000 0.408 1576 E N 1.655 121.913 120.200 0.097 0.000 2.442 1576 E HA -0.064 4.285 4.350 -0.002 0.000 0.260 1576 E C -0.038 176.583 176.600 0.035 0.000 1.148 1576 E CA 0.299 56.738 56.400 0.064 0.000 0.976 1576 E CB 0.382 30.104 29.700 0.035 0.000 0.967 1576 E HN 0.478 nan 8.360 nan 0.000 0.454 1577 K N -0.680 119.709 120.400 -0.017 0.000 3.572 1577 K HA -0.240 4.079 4.320 -0.002 0.000 0.306 1577 K C -0.371 176.136 176.600 -0.156 0.000 1.286 1577 K CA 1.270 57.511 56.287 -0.077 0.000 1.010 1577 K CB -0.921 31.563 32.500 -0.026 0.000 1.268 1577 K HN 0.381 nan 8.250 nan 0.000 0.438 1578 K N 1.127 121.473 120.400 -0.090 0.000 2.098 1578 K HA 0.283 4.602 4.320 -0.002 0.000 0.261 1578 K C -0.058 176.329 176.600 -0.355 0.000 0.987 1578 K CA -0.620 55.570 56.287 -0.162 0.000 0.916 1578 K CB 0.808 33.285 32.500 -0.038 0.000 1.039 1578 K HN 0.094 nan 8.250 nan 0.000 0.455 1579 H N 1.456 120.311 119.070 -0.359 0.000 2.472 1579 H HA 0.281 4.836 4.556 -0.002 0.000 0.335 1579 H C -0.886 174.109 175.328 -0.556 0.000 1.136 1579 H CA -0.184 55.676 56.048 -0.313 0.000 1.264 1579 H CB 0.942 30.531 29.762 -0.288 0.000 1.486 1579 H HN 0.458 nan 8.280 nan 0.000 0.517 1580 Y N 0.686 121.007 120.300 0.035 0.000 2.504 1580 Y HA 0.145 4.694 4.550 -0.002 0.000 0.344 1580 Y C -0.523 175.446 175.900 0.115 0.000 1.023 1580 Y CA -0.961 57.163 58.100 0.041 0.000 1.020 1580 Y CB 1.793 40.199 38.460 -0.090 0.000 1.282 1580 Y HN 0.370 nan 8.280 nan 0.000 0.454 1581 L N 6.058 127.514 121.223 0.389 0.000 2.261 1581 L HA 0.632 4.970 4.340 -0.002 0.000 0.289 1581 L C -0.722 176.304 176.870 0.259 0.000 1.059 1581 L CA -0.516 54.566 54.840 0.404 0.000 0.816 1581 L CB -0.016 42.390 42.059 0.578 0.000 1.191 1581 L HN 0.649 nan 8.230 nan 0.000 0.431 1582 M N 4.171 123.913 119.600 0.237 0.000 2.393 1582 M HA 0.717 5.196 4.480 -0.002 0.000 0.299 1582 M C -1.722 174.731 176.300 0.256 0.000 1.103 1582 M CA -0.646 54.740 55.300 0.143 0.000 0.910 1582 M CB 1.873 34.509 32.600 0.061 0.000 1.659 1582 M HN 0.612 nan 8.290 nan 0.000 0.445 1583 W N 1.172 122.543 121.300 0.118 0.000 3.032 1583 W HA 0.967 5.626 4.660 -0.002 0.000 0.335 1583 W C -1.239 175.040 176.519 -0.400 0.000 1.154 1583 W CA -0.912 56.266 57.345 -0.278 0.000 1.204 1583 W CB 0.882 30.202 29.460 -0.232 0.000 1.416 1583 W HN 0.977 nan 8.180 nan 0.000 0.521 1584 G N 1.653 109.952 108.800 -0.835 0.000 2.798 1584 G HA2 0.717 4.676 3.960 -0.002 0.000 0.286 1584 G HA3 0.717 4.676 3.960 -0.002 0.000 0.286 1584 G C -1.651 173.131 174.900 -0.196 0.000 1.389 1584 G CA -1.372 43.544 45.100 -0.306 0.000 0.894 1584 G HN 0.722 nan 8.290 nan 0.000 0.488 1585 L N 0.465 121.728 121.223 0.067 0.000 2.421 1585 L HA 0.272 4.611 4.340 -0.002 0.000 0.263 1585 L C 1.885 178.873 176.870 0.196 0.000 1.122 1585 L CA -0.458 54.449 54.840 0.112 0.000 0.804 1585 L CB 1.741 43.871 42.059 0.119 0.000 1.150 1585 L HN 0.714 nan 8.230 nan 0.000 0.457 1586 S N -1.626 114.228 115.700 0.257 0.000 2.555 1586 S HA -0.096 4.373 4.470 -0.002 0.000 0.230 1586 S C 1.307 176.147 174.600 0.400 0.000 0.978 1586 S CA 0.531 58.995 58.200 0.441 0.000 0.934 1586 S CB -0.294 63.093 63.200 0.310 0.000 0.766 1586 S HN 0.754 nan 8.310 nan 0.000 0.533 1587 S N 0.156 115.999 115.700 0.239 0.000 2.605 1587 S HA 0.237 4.706 4.470 -0.002 0.000 0.217 1587 S C 0.142 174.846 174.600 0.174 0.000 0.958 1587 S CA -0.336 57.981 58.200 0.196 0.000 0.919 1587 S CB -0.030 63.251 63.200 0.136 0.000 0.780 1587 S HN 0.296 nan 8.310 nan 0.000 0.507 1588 D N 0.664 121.145 120.400 0.136 0.000 2.424 1588 D HA 0.365 5.004 4.640 -0.002 0.000 0.220 1588 D C -0.518 175.741 176.300 -0.068 0.000 1.150 1588 D CA -0.303 53.726 54.000 0.047 0.000 0.831 1588 D CB -0.015 40.820 40.800 0.058 0.000 0.981 1588 D HN 0.335 nan 8.370 nan 0.000 0.500 1589 F N 0.259 120.238 119.950 0.049 0.000 2.380 1589 F HA 0.343 4.869 4.527 -0.002 0.000 0.325 1589 F C 0.478 176.370 175.800 0.153 0.000 1.136 1589 F CA -0.336 57.642 58.000 -0.037 0.000 1.171 1589 F CB 1.004 39.938 39.000 -0.112 0.000 1.230 1589 F HN -0.109 nan 8.300 nan 0.000 0.554 1590 W N 2.220 123.545 121.300 0.041 0.000 3.268 1590 W HA 0.445 5.104 4.660 -0.002 0.000 0.330 1590 W C -0.588 175.900 176.519 -0.052 0.000 1.074 1590 W CA -0.435 56.894 57.345 -0.027 0.000 1.263 1590 W CB 1.520 30.937 29.460 -0.071 0.000 1.250 1590 W HN 0.850 nan 8.180 nan 0.000 0.425 1591 G N 3.300 111.776 108.800 -0.540 0.000 2.555 1591 G HA2 -0.152 3.806 3.960 -0.002 0.000 0.686 1591 G HA3 -0.152 3.806 3.960 -0.002 0.000 0.686 1591 G C -1.150 173.591 174.900 -0.264 0.000 1.275 1591 G CA -1.041 43.770 45.100 -0.481 0.000 0.871 1591 G HN 0.350 nan 8.290 nan 0.000 0.603 1592 E N 0.787 120.852 120.200 -0.225 0.000 2.301 1592 E HA 0.318 4.667 4.350 -0.002 0.000 0.275 1592 E C 0.694 177.223 176.600 -0.118 0.000 1.030 1592 E CA -0.363 55.941 56.400 -0.159 0.000 0.852 1592 E CB 1.187 30.802 29.700 -0.141 0.000 1.060 1592 E HN 0.528 nan 8.360 nan 0.000 0.401 1593 K N 2.391 122.726 120.400 -0.108 0.000 2.319 1593 K HA 0.119 4.438 4.320 -0.002 0.000 0.265 1593 K C -1.727 174.836 176.600 -0.063 0.000 1.000 1593 K CA -1.166 55.071 56.287 -0.084 0.000 0.943 1593 K CB 0.022 32.465 32.500 -0.095 0.000 0.950 1593 K HN 0.158 nan 8.250 nan 0.000 0.485 1594 P HA 0.127 nan 4.420 nan 0.000 0.244 1594 P C -0.972 176.317 177.300 -0.018 0.000 1.632 1594 P CA 0.076 63.158 63.100 -0.030 0.000 0.944 1594 P CB 0.096 31.786 31.700 -0.017 0.000 1.569 1595 N N 0.207 118.887 118.700 -0.034 0.000 2.546 1595 N HA 0.145 4.884 4.740 -0.002 0.000 0.286 1595 N C 0.079 175.573 175.510 -0.027 0.000 1.259 1595 N CA -0.138 52.898 53.050 -0.023 0.000 0.939 1595 N CB -0.081 38.384 38.487 -0.037 0.000 1.243 1595 N HN 0.210 nan 8.380 nan 0.000 0.511 1596 L N 0.228 121.445 121.223 -0.010 0.000 2.482 1596 L HA 0.162 4.501 4.340 -0.002 0.000 0.273 1596 L C 0.301 177.196 176.870 0.041 0.000 1.228 1596 L CA 0.383 55.227 54.840 0.006 0.000 0.827 1596 L CB 0.458 42.531 42.059 0.024 0.000 1.099 1596 L HN 0.051 nan 8.230 nan 0.000 0.494 1597 S N 0.574 116.301 115.700 0.044 0.000 2.776 1597 S HA 0.384 4.853 4.470 -0.002 0.000 0.284 1597 S C -0.988 173.591 174.600 -0.036 0.000 1.160 1597 S CA -0.680 57.560 58.200 0.068 0.000 1.051 1597 S CB 0.716 64.010 63.200 0.158 0.000 1.037 1597 S HN 0.209 nan 8.310 nan 0.000 0.485 1598 Y N 2.505 122.555 120.300 -0.416 0.000 2.497 1598 Y HA 0.227 4.776 4.550 -0.002 0.000 0.334 1598 Y C 0.643 176.390 175.900 -0.256 0.000 1.199 1598 Y CA -0.403 57.349 58.100 -0.582 0.000 1.425 1598 Y CB 0.293 37.971 38.460 -1.303 0.000 1.291 1598 Y HN 0.415 nan 8.280 nan 0.000 0.562 1599 I N 5.068 125.644 120.570 0.011 0.000 2.362 1599 I HA 0.209 4.378 4.170 -0.002 0.000 0.289 1599 I C -0.100 176.112 176.117 0.158 0.000 0.994 1599 I CA -0.964 60.375 61.300 0.064 0.000 1.158 1599 I CB 1.192 39.176 38.000 -0.028 0.000 1.315 1599 I HN 0.540 nan 8.210 nan 0.000 0.451 1600 I N 6.267 126.957 120.570 0.199 0.000 2.278 1600 I HA 0.183 4.352 4.170 -0.002 0.000 0.300 1600 I C 1.115 177.309 176.117 0.127 0.000 1.174 1600 I CA 0.069 61.483 61.300 0.189 0.000 1.347 1600 I CB 0.033 38.121 38.000 0.147 0.000 1.473 1600 I HN 0.641 nan 8.210 nan 0.000 0.595 1601 G N 4.586 113.458 108.800 0.120 0.000 2.557 1601 G HA2 0.244 4.203 3.960 -0.002 0.000 0.302 1601 G HA3 0.244 4.203 3.960 -0.002 0.000 0.302 1601 G C 0.824 175.783 174.900 0.098 0.000 1.311 1601 G CA -0.645 44.507 45.100 0.087 0.000 1.030 1601 G HN 0.721 nan 8.290 nan 0.000 0.509 1602 K N -1.239 119.200 120.400 0.065 0.000 2.574 1602 K HA 0.019 4.338 4.320 -0.002 0.000 0.193 1602 K C -0.176 176.477 176.600 0.089 0.000 1.035 1602 K CA 1.222 57.538 56.287 0.050 0.000 0.982 1602 K CB 0.242 32.750 32.500 0.013 0.000 0.795 1602 K HN 0.168 nan 8.250 nan 0.000 0.491 1603 D N 0.991 121.460 120.400 0.115 0.000 2.538 1603 D HA 0.073 4.712 4.640 -0.002 0.000 0.231 1603 D C -0.769 175.641 176.300 0.184 0.000 1.229 1603 D CA 0.024 54.113 54.000 0.149 0.000 0.828 1603 D CB 1.110 41.987 40.800 0.129 0.000 1.035 1603 D HN 0.031 nan 8.370 nan 0.000 0.495 1604 T N 0.896 115.550 114.554 0.165 0.000 2.758 1604 T HA 0.123 4.472 4.350 -0.002 0.000 0.285 1604 T C -0.505 174.217 174.700 0.035 0.000 0.981 1604 T CA -0.678 61.502 62.100 0.133 0.000 0.965 1604 T CB 1.469 70.427 68.868 0.151 0.000 0.927 1604 T HN 0.112 nan 8.240 nan 0.000 0.448 1605 W N 5.340 126.407 121.300 -0.388 0.000 2.322 1605 W HA 0.550 5.209 4.660 -0.002 0.000 0.307 1605 W C -1.714 174.423 176.519 -0.636 0.000 1.220 1605 W CA -0.651 56.277 57.345 -0.695 0.000 1.210 1605 W CB 0.536 29.005 29.460 -1.653 0.000 1.223 1605 W HN 0.293 nan 8.180 nan 0.000 0.511 1606 V N 5.992 125.379 119.914 -0.878 0.000 2.638 1606 V HA 0.336 4.455 4.120 -0.002 0.000 0.306 1606 V C -0.706 174.952 176.094 -0.726 0.000 1.052 1606 V CA -0.843 61.065 62.300 -0.653 0.000 0.885 1606 V CB 1.887 33.319 31.823 -0.652 0.000 0.999 1606 V HN 0.543 nan 8.190 nan 0.000 0.424 1607 E N 2.251 122.283 120.200 -0.279 0.000 2.290 1607 E HA 0.390 4.739 4.350 -0.002 0.000 0.274 1607 E C -1.223 175.455 176.600 0.130 0.000 0.889 1607 E CA -0.830 55.490 56.400 -0.133 0.000 0.760 1607 E CB 1.725 31.409 29.700 -0.027 0.000 1.206 1607 E HN 0.894 nan 8.360 nan 0.000 0.419 1608 H N 3.959 123.036 119.070 0.012 0.000 2.964 1608 H HA 0.020 4.575 4.556 -0.002 0.000 0.328 1608 H C -1.158 174.135 175.328 -0.058 0.000 1.030 1608 H CA 0.243 56.223 56.048 -0.113 0.000 1.445 1608 H CB 0.546 30.235 29.762 -0.122 0.000 1.449 1608 H HN 0.371 nan 8.280 nan 0.000 0.581 1609 W N 9.173 129.992 121.300 -0.803 0.000 2.298 1609 W HA 0.283 4.942 4.660 -0.002 0.000 0.327 1609 W C -2.782 173.398 176.519 -0.564 0.000 0.988 1609 W CA -3.047 54.017 57.345 -0.469 0.000 1.448 1609 W CB 0.624 29.926 29.460 -0.263 0.000 1.243 1609 W HN 0.638 nan 8.180 nan 0.000 0.388 1610 P HA -0.102 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 0.945 64.052 63.100 0.011 0.000 0.763 1610 P CB 0.545 32.254 31.700 0.015 0.000 0.776 1611 E N 2.116 122.382 120.200 0.109 0.000 2.416 1611 E HA -0.103 4.246 4.350 -0.002 0.000 0.254 1611 E C 1.316 177.963 176.600 0.078 0.000 1.241 1611 E CA -0.282 56.174 56.400 0.094 0.000 0.969 1611 E CB 0.494 30.245 29.700 0.085 0.000 0.999 1611 E HN 0.350 nan 8.360 nan 0.000 0.481 1612 E N 1.202 121.431 120.200 0.049 0.000 2.026 1612 E HA -0.285 4.064 4.350 -0.002 0.000 0.206 1612 E C 1.270 177.893 176.600 0.039 0.000 1.028 1612 E CA 2.572 58.999 56.400 0.045 0.000 0.845 1612 E CB -0.372 29.342 29.700 0.023 0.000 0.772 1612 E HN 0.659 nan 8.360 nan 0.000 0.462 1613 D N -0.155 120.266 120.400 0.034 0.000 2.351 1613 D HA -0.171 4.468 4.640 -0.002 0.000 0.216 1613 D C 1.148 177.466 176.300 0.031 0.000 0.968 1613 D CA 1.120 55.138 54.000 0.029 0.000 0.899 1613 D CB -0.423 40.394 40.800 0.027 0.000 0.907 1613 D HN 0.518 nan 8.370 nan 0.000 0.514 1614 E N -0.868 119.357 120.200 0.040 0.000 2.447 1614 E HA 0.082 4.431 4.350 -0.002 0.000 0.195 1614 E C 0.963 177.580 176.600 0.029 0.000 1.028 1614 E CA -0.021 56.404 56.400 0.041 0.000 0.876 1614 E CB 0.132 29.871 29.700 0.065 0.000 0.885 1614 E HN 0.276 nan 8.360 nan 0.000 0.500 1615 c N 1.728 120.343 118.600 0.026 0.000 2.576 1615 c HA 0.062 4.631 4.570 -0.002 0.000 0.267 1615 c C 1.713 175.808 174.090 0.007 0.000 1.364 1615 c CA 0.021 56.356 56.329 0.010 0.000 1.723 1615 c CB -0.611 41.907 42.510 0.012 0.000 1.778 1615 c HN 0.361 nan 8.230 nan 0.000 0.572 1616 Q N 0.293 120.100 119.800 0.012 0.000 2.360 1616 Q HA 0.134 4.472 4.340 -0.002 0.000 0.202 1616 Q C -0.088 175.916 176.000 0.006 0.000 0.915 1616 Q CA 0.488 56.297 55.803 0.009 0.000 0.943 1616 Q CB -0.079 28.666 28.738 0.012 0.000 1.064 1616 Q HN 0.579 nan 8.270 nan 0.000 0.511 1617 D N 1.920 122.323 120.400 0.005 0.000 2.345 1617 D HA -0.016 4.623 4.640 -0.002 0.000 0.247 1617 D C 0.700 176.998 176.300 -0.003 0.000 1.108 1617 D CA -0.055 53.946 54.000 0.002 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 1.424 121.622 120.200 -0.003 0.000 2.405 1618 E HA -0.038 4.311 4.350 -0.002 0.000 0.194 1618 E C 0.133 176.728 176.600 -0.008 0.000 1.149 1618 E CA 0.634 57.032 56.400 -0.005 0.000 0.933 1618 E CB -0.002 29.696 29.700 -0.004 0.000 1.028 1618 E HN 0.497 nan 8.360 nan 0.000 0.487 1619 E N -0.344 119.850 120.200 -0.010 0.000 2.568 1619 E HA 0.108 4.457 4.350 -0.002 0.000 0.220 1619 E C 0.761 177.350 176.600 -0.018 0.000 0.869 1619 E CA -0.097 56.295 56.400 -0.014 0.000 1.268 1619 E CB 0.451 30.142 29.700 -0.014 0.000 1.252 1619 E HN 0.134 nan 8.360 nan 0.000 0.606 1620 N N 0.702 119.392 118.700 -0.017 0.000 2.294 1620 N HA 0.034 4.773 4.740 -0.002 0.000 0.186 1620 N C 1.335 176.824 175.510 -0.035 0.000 1.107 1620 N CA 0.274 53.309 53.050 -0.025 0.000 0.884 1620 N CB 0.372 38.851 38.487 -0.013 0.000 1.030 1620 N HN 0.102 nan 8.380 nan 0.000 0.482 1621 Q N 0.431 120.218 119.800 -0.023 0.000 2.234 1621 Q HA -0.098 4.241 4.340 -0.002 0.000 0.206 1621 Q C 1.419 177.403 176.000 -0.027 0.000 0.980 1621 Q CA 1.219 57.010 55.803 -0.021 0.000 0.869 1621 Q CB 0.071 28.803 28.738 -0.011 0.000 0.912 1621 Q HN 0.052 nan 8.270 nan 0.000 0.436 1622 K N 0.612 120.995 120.400 -0.027 0.000 2.296 1622 K HA -0.097 4.222 4.320 -0.002 0.000 0.200 1622 K C 1.706 178.281 176.600 -0.042 0.000 1.048 1622 K CA 0.897 57.168 56.287 -0.026 0.000 0.966 1622 K CB 0.209 32.698 32.500 -0.019 0.000 0.754 1622 K HN 0.147 nan 8.250 nan 0.000 0.466 1623 Q N -1.231 118.531 119.800 -0.063 0.000 2.304 1623 Q HA -0.017 4.321 4.340 -0.002 0.000 0.204 1623 Q C 1.611 177.511 176.000 -0.167 0.000 0.936 1623 Q CA 0.943 56.684 55.803 -0.103 0.000 0.878 1623 Q CB 0.041 28.716 28.738 -0.105 0.000 0.983 1623 Q HN 0.343 nan 8.270 nan 0.000 0.516 1624 c N 1.341 119.846 118.600 -0.158 0.000 2.419 1624 c HA -0.062 4.507 4.570 -0.002 0.000 0.283 1624 c C 2.367 176.386 174.090 -0.117 0.000 1.373 1624 c CA 0.627 56.840 56.329 -0.192 0.000 1.781 1624 c CB -0.723 41.721 42.510 -0.111 0.000 1.886 1624 c HN 0.570 nan 8.230 nan 0.000 0.520 1625 Q N 0.367 120.125 119.800 -0.070 0.000 2.163 1625 Q HA -0.106 4.233 4.340 -0.002 0.000 0.198 1625 Q C 1.550 177.540 176.000 -0.016 0.000 0.954 1625 Q CA 1.109 56.897 55.803 -0.026 0.000 0.851 1625 Q CB -0.085 28.646 28.738 -0.012 0.000 0.928 1625 Q HN 0.617 nan 8.270 nan 0.000 0.459 1626 D N 0.874 121.250 120.400 -0.039 0.000 2.097 1626 D HA -0.105 4.534 4.640 -0.002 0.000 0.197 1626 D C 1.926 178.227 176.300 0.001 0.000 0.984 1626 D CA 0.937 54.930 54.000 -0.011 0.000 0.826 1626 D CB -0.126 40.657 40.800 -0.027 0.000 0.973 1626 D HN 0.143 nan 8.370 nan 0.000 0.460 1627 L N 0.451 121.590 121.223 -0.140 0.000 2.017 1627 L HA -0.044 4.295 4.340 -0.002 0.000 0.208 1627 L C 2.571 179.458 176.870 0.028 0.000 1.073 1627 L CA 1.427 56.129 54.840 -0.230 0.000 0.745 1627 L CB -0.898 40.625 42.059 -0.892 0.000 0.894 1627 L HN 0.103 nan 8.230 nan 0.000 0.432 1628 G N -0.254 108.553 108.800 0.010 0.000 2.440 1628 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.218 1628 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.218 1628 G C 1.748 176.741 174.900 0.155 0.000 1.154 1628 G CA 0.887 46.071 45.100 0.140 0.000 0.767 1628 G HN 0.476 nan 8.290 nan 0.000 0.552 1629 A N 0.157 123.050 122.820 0.121 0.000 1.929 1629 A HA 0.169 4.488 4.320 -0.002 0.000 0.216 1629 A C 2.136 179.809 177.584 0.149 0.000 1.176 1629 A CA 1.360 53.466 52.037 0.115 0.000 0.628 1629 A CB -0.467 18.582 19.000 0.082 0.000 0.816 1629 A HN 0.421 nan 8.150 nan 0.000 0.444 1630 F N 1.404 121.384 119.950 0.050 0.000 2.171 1630 F HA -0.141 4.385 4.527 -0.002 0.000 0.300 1630 F C 2.343 178.208 175.800 0.109 0.000 1.090 1630 F CA 2.166 60.204 58.000 0.062 0.000 1.293 1630 F CB -0.452 38.584 39.000 0.059 0.000 1.013 1630 F HN 0.197 nan 8.300 nan 0.000 0.486 1631 T N 0.340 115.056 114.554 0.271 0.000 2.614 1631 T HA -0.199 4.150 4.350 -0.002 0.000 0.263 1631 T C 1.740 176.467 174.700 0.045 0.000 1.055 1631 T CA 1.842 64.063 62.100 0.202 0.000 1.162 1631 T CB -0.411 68.660 68.868 0.339 0.000 0.863 1631 T HN 0.357 nan 8.240 nan 0.000 0.414 1632 E N 0.901 121.148 120.200 0.080 0.000 2.085 1632 E HA -0.132 4.217 4.350 -0.002 0.000 0.194 1632 E C 2.449 179.091 176.600 0.069 0.000 0.994 1632 E CA 1.195 57.631 56.400 0.061 0.000 0.801 1632 E CB -0.229 29.521 29.700 0.083 0.000 0.743 1632 E HN 0.320 nan 8.360 nan 0.000 0.453 1633 S N -0.078 115.658 115.700 0.060 0.000 2.399 1633 S HA -0.106 4.363 4.470 -0.002 0.000 0.231 1633 S C 1.801 176.407 174.600 0.010 0.000 1.022 1633 S CA 0.882 59.144 58.200 0.104 0.000 0.983 1633 S CB 0.073 63.252 63.200 -0.034 0.000 0.803 1633 S HN 0.142 nan 8.310 nan 0.000 0.480 1634 M N 0.351 119.841 119.600 -0.183 0.000 2.510 1634 M HA 0.165 4.644 4.480 -0.002 0.000 0.256 1634 M C 1.824 178.063 176.300 -0.100 0.000 1.132 1634 M CA 0.498 55.657 55.300 -0.235 0.000 1.105 1634 M CB -0.500 31.797 32.600 -0.504 0.000 1.375 1634 M HN 0.209 nan 8.290 nan 0.000 0.477 1635 V N -0.669 119.210 119.914 -0.058 0.000 2.341 1635 V HA -0.086 4.033 4.120 -0.002 0.000 0.240 1635 V C 2.392 178.440 176.094 -0.076 0.000 1.035 1635 V CA 0.930 63.206 62.300 -0.041 0.000 1.033 1635 V CB -0.416 31.396 31.823 -0.019 0.000 0.678 1635 V HN 0.111 nan 8.190 nan 0.000 0.464 1636 V N -0.211 119.623 119.914 -0.132 0.000 2.229 1636 V HA -0.197 3.922 4.120 -0.002 0.000 0.243 1636 V C 2.170 178.046 176.094 -0.362 0.000 1.042 1636 V CA 2.373 64.477 62.300 -0.327 0.000 1.000 1636 V CB -0.699 30.767 31.823 -0.595 0.000 0.637 1636 V HN 0.461 nan 8.190 nan 0.000 0.446 1637 F N 0.340 120.258 119.950 -0.054 0.000 2.270 1637 F HA 0.461 4.986 4.527 -0.002 0.000 0.295 1637 F C 1.606 177.367 175.800 -0.066 0.000 1.087 1637 F CA 0.840 58.807 58.000 -0.055 0.000 1.365 1637 F CB -0.852 38.112 39.000 -0.060 0.000 1.056 1637 F HN 0.354 nan 8.300 nan 0.000 0.506 1638 G N -0.275 108.579 108.800 0.090 0.000 2.782 1638 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.228 1638 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.228 1638 G C -0.574 174.315 174.900 -0.019 0.000 1.372 1638 G CA -1.108 43.993 45.100 0.002 0.000 0.862 1638 G HN 0.313 nan 8.290 nan 0.000 0.547 1639 c N 2.979 121.544 118.600 -0.058 0.000 2.596 1639 c HA 0.420 4.988 4.570 -0.002 0.000 0.414 1639 c C -0.606 173.454 174.090 -0.049 0.000 1.396 1639 c CA 0.034 56.316 56.329 -0.078 0.000 1.698 1639 c CB -0.116 42.340 42.510 -0.089 0.000 2.572 1639 c HN 0.716 nan 8.230 nan 0.000 0.604 1640 P HA 0.239 nan 4.420 nan 0.000 0.279 1640 P C -0.287 176.986 177.300 -0.045 0.000 1.239 1640 P CA 0.191 63.261 63.100 -0.051 0.000 0.789 1640 P CB 0.480 32.138 31.700 -0.071 0.000 0.933 1641 N N 0.000 118.680 118.700 -0.033 0.000 1.763 1641 N HA 0.000 4.739 4.740 -0.002 0.000 0.220 1641 N CA 0.000 53.033 53.050 -0.028 0.000 0.885 1641 N CB 0.000 38.468 38.487 -0.032 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667