REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2xwj_1_D DATA FIRST_RESID 730 DATA SEQUENCE DEDIIAEENI VSRSEFPESW LWNVEDLKEP PKNGISTKLM NIFLKDSITT DATA SEQUENCE WEILAVSMSD KKGICVADPF EVTVMQDFFI DLRLPYSVVR NEQVEIRAVL DATA SEQUENCE YNYRQNQELK VRVELLHNPA FcSLATTKRR HQQTVTIPPK SSLSVPYVIV DATA SEQUENCE PLKTGLQEVE VKAAVYHHFI SDGVRKSLKV VPEGIRMNKT VAVRTLDPER DATA SEQUENCE LGREGVQKED IPPADLSDQV PDTESETRIL LQGTPVAQMT EDAVDAERLK DATA SEQUENCE HLIVTPSGCG EENMIGMTPT VIAVHYLDET EQWEKFGLEK RQGALELIKK DATA SEQUENCE GYTQQLAFRQ PSSAFAAFVK RAPSTWLTAY VVKVFSLAVN LIAIDSQVLc DATA SEQUENCE GAVKWLILEK QKPDGVFQED APVIHQEMIG GLRNNNEKDM ALTAFVLISL DATA SEQUENCE QEAKDIcEEQ VNSLPGSITK AGDFLEANYM NLQRSYTVAI AGYALAQMGR DATA SEQUENCE LKGPLLNKFL TTAKDKNRWE DPGKQLYNVE ATSYALLALL QLKDFDFVPP DATA SEQUENCE VVRWLNEQRY YGGGYGSTQA TFMVFQALAQ YQKDAPDHQE LNLDVSLQLP DATA SEQUENCE SRSSKITHRI HWESASLLRS EETKENEGFT VTAEGKGQGT LSVVTMYHAK DATA SEQUENCE AKDQLTcNKF DLKVTIKPAP XXXXXXXXXK NTMILEIcTR YRGDQDATMS DATA SEQUENCE ILDISMMTGF APDTDDLKQL ANGVDRYISK YELDKAFSDR NTLIIYLDKV DATA SEQUENCE SHSEDDcLAF KVHQYFNVEL IQPGAVKVYA YYNLEEScTR FYHPEKEDGK DATA SEQUENCE LNKLcRDELc RcAEENcFIQ KXXDKVTLEE RLDKAcEPGV DYVYKTRLVK DATA SEQUENCE VQLSNDFDEY IMAIEQTIKS GSDEVQVGQQ RTFISPIKcR EALKLEEKKH DATA SEQUENCE YLMWGLSSDF WGEKPNLSYI IGKDTWVEHW PEEDEcQDEE NQKQcQDLGA DATA SEQUENCE FTESMVVFGc PN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 730 D HA 0.000 nan 4.640 nan 0.000 0.175 730 D C 0.000 176.311 176.300 0.018 0.000 2.045 730 D CA 0.000 54.037 54.000 0.061 0.000 0.868 730 D CB 0.000 40.897 40.800 0.162 0.000 0.688 731 E N 0.638 120.862 120.200 0.041 0.000 2.318 731 E HA 0.090 4.440 4.350 0.000 0.000 0.193 731 E C 0.265 176.847 176.600 -0.029 0.000 0.998 731 E CA 0.925 57.334 56.400 0.014 0.000 0.859 731 E CB 0.733 30.455 29.700 0.036 0.000 0.812 731 E HN 0.260 nan 8.360 nan 0.000 0.492 732 D N -0.642 119.708 120.400 -0.083 0.000 2.723 732 D HA 0.252 4.892 4.640 0.000 0.000 0.205 732 D C 0.939 177.094 176.300 -0.241 0.000 1.295 732 D CA -0.012 53.895 54.000 -0.154 0.000 1.112 732 D CB 0.491 41.156 40.800 -0.226 0.000 1.193 732 D HN -0.045 nan 8.370 nan 0.000 0.610 733 I N -1.847 118.526 120.570 -0.328 0.000 7.292 733 I HA -0.316 3.854 4.170 0.000 0.000 0.126 733 I C -0.937 175.062 176.117 -0.198 0.000 1.519 733 I CA 0.487 61.584 61.300 -0.340 0.000 2.398 733 I CB -0.793 36.850 38.000 -0.596 0.000 3.030 733 I HN 0.286 nan 8.210 nan 0.000 0.266 734 I N 1.688 122.140 120.570 -0.196 0.000 2.460 734 I HA 0.599 4.769 4.170 0.000 0.000 0.298 734 I C 0.935 176.983 176.117 -0.115 0.000 0.989 734 I CA -0.377 60.836 61.300 -0.144 0.000 1.173 734 I CB 1.578 39.454 38.000 -0.206 0.000 1.338 734 I HN 0.839 nan 8.210 nan 0.000 0.456 735 A N 4.780 127.557 122.820 -0.072 0.000 2.565 735 A HA 0.015 4.335 4.320 0.000 0.000 0.237 735 A C 0.979 178.538 177.584 -0.041 0.000 1.053 735 A CA 0.054 52.063 52.037 -0.047 0.000 0.755 735 A CB 0.053 19.039 19.000 -0.023 0.000 0.980 735 A HN 0.771 nan 8.150 nan 0.000 0.506 736 E N 1.583 121.767 120.200 -0.027 0.000 2.512 736 E HA -0.045 4.305 4.350 0.000 0.000 0.195 736 E C 0.335 176.937 176.600 0.003 0.000 1.083 736 E CA 0.753 57.147 56.400 -0.010 0.000 0.873 736 E CB 0.178 29.880 29.700 0.003 0.000 0.897 736 E HN 0.792 nan 8.360 nan 0.000 0.514 737 E N -0.555 119.645 120.200 -0.000 0.000 2.474 737 E HA 0.079 4.429 4.350 0.000 0.000 0.215 737 E C 0.744 177.347 176.600 0.005 0.000 0.867 737 E CA 0.009 56.414 56.400 0.008 0.000 1.135 737 E CB 0.181 29.888 29.700 0.012 0.000 1.147 737 E HN -0.006 nan 8.360 nan 0.000 0.534 738 N N 0.489 119.187 118.700 -0.004 0.000 2.370 738 N HA 0.115 4.855 4.740 0.000 0.000 0.198 738 N C -0.439 175.064 175.510 -0.012 0.000 1.156 738 N CA 0.297 53.345 53.050 -0.003 0.000 0.839 738 N CB 0.317 38.801 38.487 -0.004 0.000 0.989 738 N HN 0.206 nan 8.380 nan 0.000 0.468 739 I N 0.990 121.553 120.570 -0.011 0.000 2.304 739 I HA 0.146 4.316 4.170 0.000 0.000 0.291 739 I C -0.126 175.997 176.117 0.010 0.000 1.018 739 I CA -0.776 60.518 61.300 -0.009 0.000 1.260 739 I CB 1.462 39.459 38.000 -0.005 0.000 1.390 739 I HN -0.306 nan 8.210 nan 0.000 0.475 740 V N 6.326 126.247 119.914 0.012 0.000 2.352 740 V HA 0.071 4.191 4.120 0.000 0.000 0.253 740 V C 0.717 176.827 176.094 0.027 0.000 1.083 740 V CA -0.020 62.291 62.300 0.018 0.000 0.993 740 V CB 0.040 31.872 31.823 0.015 0.000 1.111 740 V HN 0.773 nan 8.190 nan 0.000 0.490 741 S N 5.197 120.918 115.700 0.035 0.000 2.589 741 S HA 0.383 4.853 4.470 0.000 0.000 0.265 741 S C 0.568 175.198 174.600 0.050 0.000 1.342 741 S CA -0.539 57.695 58.200 0.057 0.000 1.005 741 S CB 0.646 63.884 63.200 0.063 0.000 0.909 741 S HN 0.694 nan 8.310 nan 0.000 0.555 742 R N 0.381 120.936 120.500 0.093 0.000 2.546 742 R HA 0.443 4.783 4.340 0.000 0.000 0.266 742 R C 0.844 177.175 176.300 0.053 0.000 1.086 742 R CA 0.071 56.187 56.100 0.026 0.000 1.160 742 R CB 0.630 30.992 30.300 0.102 0.000 1.138 742 R HN 0.840 nan 8.270 nan 0.000 0.567 743 S N -1.415 114.143 115.700 -0.238 0.000 2.501 743 S HA -0.011 4.459 4.470 0.000 0.000 0.250 743 S C -0.260 174.139 174.600 -0.336 0.000 0.959 743 S CA -0.611 57.548 58.200 -0.068 0.000 1.250 743 S CB 0.045 63.236 63.200 -0.014 0.000 0.933 743 S HN 0.555 nan 8.310 nan 0.000 0.420 744 E N 1.554 121.411 120.200 -0.571 0.000 1.944 744 E HA 0.291 4.641 4.350 0.000 0.000 0.272 744 E C -1.471 174.737 176.600 -0.653 0.000 1.195 744 E CA -0.036 56.091 56.400 -0.456 0.000 0.926 744 E CB -0.085 29.397 29.700 -0.363 0.000 1.051 744 E HN 0.498 nan 8.360 nan 0.000 0.404 745 F N 3.028 123.002 119.950 0.039 0.000 2.597 745 F HA 0.279 4.806 4.527 0.000 0.000 0.336 745 F C -2.028 173.864 175.800 0.154 0.000 1.432 745 F CA -2.145 55.920 58.000 0.108 0.000 1.120 745 F CB 0.359 39.407 39.000 0.078 0.000 1.253 745 F HN 0.231 nan 8.300 nan 0.000 0.546 746 P HA 0.157 nan 4.420 nan 0.000 0.272 746 P C 0.550 178.115 177.300 0.442 0.000 1.223 746 P CA -0.114 63.149 63.100 0.272 0.000 0.784 746 P CB 1.050 32.850 31.700 0.165 0.000 0.923 747 E N -0.239 120.163 120.200 0.336 0.000 2.371 747 E HA 0.049 4.399 4.350 0.000 0.000 0.194 747 E C -0.004 176.841 176.600 0.409 0.000 1.012 747 E CA 0.417 57.015 56.400 0.330 0.000 0.860 747 E CB 0.170 29.986 29.700 0.193 0.000 0.811 747 E HN 0.533 nan 8.360 nan 0.000 0.502 748 S N -0.086 115.856 115.700 0.403 0.000 2.542 748 S HA 0.512 4.982 4.470 0.000 0.000 0.276 748 S C -1.155 173.676 174.600 0.385 0.000 1.148 748 S CA -1.200 57.210 58.200 0.350 0.000 0.886 748 S CB 1.208 64.516 63.200 0.180 0.000 1.109 748 S HN 0.334 nan 8.310 nan 0.000 0.458 749 W N 0.804 122.142 121.300 0.064 0.000 2.955 749 W HA 0.685 5.345 4.660 0.000 0.000 0.428 749 W C -0.712 175.854 176.519 0.079 0.000 1.041 749 W CA -1.077 56.282 57.345 0.023 0.000 1.220 749 W CB -0.372 29.021 29.460 -0.112 0.000 1.459 749 W HN 1.289 nan 8.180 nan 0.000 0.618 750 L N 2.007 123.360 121.223 0.217 0.000 3.677 750 L HA -0.219 4.121 4.340 0.000 0.000 0.464 750 L C -0.326 176.574 176.870 0.050 0.000 1.278 750 L CA 0.284 55.112 54.840 -0.019 0.000 0.806 750 L CB -1.234 40.472 42.059 -0.588 0.000 1.610 750 L HN 0.584 nan 8.230 nan 0.000 0.867 751 W N 3.963 125.253 121.300 -0.016 0.000 1.818 751 W HA 0.357 5.017 4.660 0.000 0.000 0.334 751 W C 0.073 176.590 176.519 -0.003 0.000 0.753 751 W CA -0.502 56.832 57.345 -0.017 0.000 1.826 751 W CB 0.119 29.585 29.460 0.009 0.000 2.001 751 W HN 0.481 nan 8.180 nan 0.000 0.324 752 N N 0.506 119.143 118.700 -0.105 0.000 3.100 752 N HA 0.529 5.269 4.740 0.000 0.000 0.344 752 N C -1.390 174.014 175.510 -0.178 0.000 1.413 752 N CA -0.744 52.253 53.050 -0.089 0.000 0.752 752 N CB 2.106 40.589 38.487 -0.007 0.000 1.519 752 N HN -0.243 nan 8.380 nan 0.000 0.620 753 V N 0.877 120.726 119.914 -0.108 0.000 2.789 753 V HA 0.401 4.521 4.120 0.000 0.000 0.311 753 V C -0.878 175.172 176.094 -0.073 0.000 1.073 753 V CA -0.645 61.587 62.300 -0.113 0.000 0.921 753 V CB 2.208 33.973 31.823 -0.097 0.000 1.009 753 V HN 0.539 nan 8.190 nan 0.000 0.426 754 E N 1.886 122.040 120.200 -0.077 0.000 2.317 754 E HA 0.572 4.922 4.350 0.000 0.000 0.270 754 E C -1.799 174.769 176.600 -0.053 0.000 0.885 754 E CA -0.752 55.614 56.400 -0.056 0.000 0.760 754 E CB 2.793 32.458 29.700 -0.057 0.000 1.227 754 E HN 0.620 nan 8.360 nan 0.000 0.434 755 D N 1.529 121.904 120.400 -0.041 0.000 2.505 755 D HA 0.351 4.991 4.640 0.000 0.000 0.249 755 D C -0.286 175.994 176.300 -0.034 0.000 1.082 755 D CA -0.465 53.512 54.000 -0.037 0.000 0.839 755 D CB 1.529 42.311 40.800 -0.030 0.000 1.317 755 D HN 0.171 nan 8.370 nan 0.000 0.497 756 L N 2.722 123.924 121.223 -0.035 0.000 2.334 756 L HA 0.303 4.643 4.340 0.000 0.000 0.286 756 L C 1.239 178.093 176.870 -0.027 0.000 1.108 756 L CA 0.013 54.834 54.840 -0.033 0.000 0.875 756 L CB 0.367 42.405 42.059 -0.036 0.000 1.246 756 L HN 0.203 nan 8.230 nan 0.000 0.439 757 K N 0.994 121.380 120.400 -0.023 0.000 2.402 757 K HA 0.156 4.476 4.320 0.000 0.000 0.204 757 K C -0.030 176.559 176.600 -0.018 0.000 1.056 757 K CA -0.340 55.935 56.287 -0.019 0.000 1.069 757 K CB 0.779 33.269 32.500 -0.017 0.000 0.888 757 K HN 0.442 nan 8.250 nan 0.000 0.546 758 E N 2.015 122.203 120.200 -0.020 0.000 2.418 758 E HA 0.020 4.370 4.350 0.000 0.000 0.261 758 E C -2.522 174.067 176.600 -0.017 0.000 1.070 758 E CA -1.673 54.716 56.400 -0.018 0.000 0.931 758 E CB -0.130 29.558 29.700 -0.021 0.000 0.954 758 E HN -0.116 nan 8.360 nan 0.000 0.439 759 P HA 0.023 nan 4.420 nan 0.000 0.256 759 P C -2.390 174.901 177.300 -0.015 0.000 1.189 759 P CA -0.608 62.483 63.100 -0.014 0.000 0.808 759 P CB -0.263 31.430 31.700 -0.012 0.000 0.793 760 P HA 0.161 nan 4.420 nan 0.000 0.271 760 P C -0.445 176.846 177.300 -0.015 0.000 1.220 760 P CA 0.220 63.310 63.100 -0.016 0.000 0.768 760 P CB 0.690 32.380 31.700 -0.016 0.000 0.848 761 K N 3.037 123.428 120.400 -0.016 0.000 2.426 761 K HA 0.276 4.596 4.320 0.000 0.000 0.254 761 K C -0.219 176.372 176.600 -0.014 0.000 0.936 761 K CA -0.692 55.587 56.287 -0.014 0.000 0.801 761 K CB 1.243 33.734 32.500 -0.014 0.000 1.139 761 K HN 0.237 nan 8.250 nan 0.000 0.424 762 N N 1.378 120.070 118.700 -0.013 0.000 2.741 762 N HA -0.193 4.547 4.740 0.000 0.000 0.251 762 N C 0.534 176.036 175.510 -0.014 0.000 1.112 762 N CA 1.520 54.563 53.050 -0.012 0.000 0.750 762 N CB -1.357 37.122 38.487 -0.012 0.000 1.119 762 N HN 1.124 nan 8.380 nan 0.000 0.561 763 G N -1.456 107.336 108.800 -0.014 0.000 2.143 763 G HA2 -0.276 3.684 3.960 0.000 0.000 0.248 763 G HA3 -0.276 3.684 3.960 0.000 0.000 0.248 763 G C -0.262 174.627 174.900 -0.018 0.000 0.991 763 G CA 0.420 45.511 45.100 -0.015 0.000 0.689 763 G HN 0.412 nan 8.290 nan 0.000 0.522 764 I N 1.389 121.948 120.570 -0.020 0.000 2.439 764 I HA 0.394 4.564 4.170 0.000 0.000 0.283 764 I C 0.301 176.402 176.117 -0.026 0.000 1.023 764 I CA -0.762 60.524 61.300 -0.024 0.000 1.100 764 I CB 1.312 39.297 38.000 -0.024 0.000 1.238 764 I HN 0.027 nan 8.210 nan 0.000 0.445 765 S N 4.313 119.996 115.700 -0.028 0.000 2.585 765 S HA 0.667 5.137 4.470 0.000 0.000 0.277 765 S C 0.217 174.795 174.600 -0.036 0.000 1.241 765 S CA -0.340 57.842 58.200 -0.030 0.000 1.041 765 S CB 1.450 64.633 63.200 -0.029 0.000 0.987 765 S HN 0.592 nan 8.310 nan 0.000 0.512 766 T N 2.754 117.287 114.554 -0.036 0.000 2.886 766 T HA 0.479 4.829 4.350 0.000 0.000 0.292 766 T C -0.730 173.945 174.700 -0.041 0.000 1.012 766 T CA -0.772 61.303 62.100 -0.043 0.000 0.982 766 T CB 1.407 70.250 68.868 -0.042 0.000 1.018 766 T HN 0.509 nan 8.240 nan 0.000 0.451 767 K N 3.264 123.635 120.400 -0.049 0.000 2.397 767 K HA 0.582 4.902 4.320 0.000 0.000 0.253 767 K C -1.301 175.269 176.600 -0.050 0.000 0.932 767 K CA -0.801 55.459 56.287 -0.045 0.000 0.795 767 K CB 1.040 33.513 32.500 -0.045 0.000 1.159 767 K HN 0.499 nan 8.250 nan 0.000 0.424 768 L N 6.032 127.231 121.223 -0.041 0.000 2.272 768 L HA 0.397 4.738 4.340 0.000 0.000 0.284 768 L C -0.181 176.668 176.870 -0.034 0.000 1.045 768 L CA -0.536 54.279 54.840 -0.041 0.000 0.842 768 L CB 0.995 43.033 42.059 -0.035 0.000 1.224 768 L HN 0.598 nan 8.230 nan 0.000 0.430 769 M N 2.816 122.393 119.600 -0.038 0.000 2.314 769 M HA 0.243 4.723 4.480 0.000 0.000 0.342 769 M C 0.037 176.321 176.300 -0.027 0.000 1.171 769 M CA 0.015 55.301 55.300 -0.023 0.000 1.098 769 M CB 1.377 33.963 32.600 -0.022 0.000 1.559 769 M HN 0.460 nan 8.290 nan 0.000 0.459 770 N N 3.756 122.445 118.700 -0.018 0.000 2.800 770 N HA 0.405 5.145 4.740 0.000 0.000 0.240 770 N C -1.168 174.300 175.510 -0.070 0.000 1.096 770 N CA -0.349 52.660 53.050 -0.069 0.000 0.877 770 N CB 0.719 39.160 38.487 -0.078 0.000 1.138 770 N HN 0.619 nan 8.380 nan 0.000 0.509 771 I N -1.103 119.438 120.570 -0.049 0.000 2.797 771 I HA 0.547 4.717 4.170 0.000 0.000 0.310 771 I C -1.024 175.037 176.117 -0.094 0.000 0.990 771 I CA -0.694 60.653 61.300 0.079 0.000 1.228 771 I CB 0.872 38.992 38.000 0.199 0.000 1.406 771 I HN 0.094 nan 8.210 nan 0.000 0.534 772 F N 3.805 123.773 119.950 0.029 0.000 2.347 772 F HA 0.502 5.029 4.527 0.000 0.000 0.366 772 F C 0.076 175.735 175.800 -0.235 0.000 1.107 772 F CA -0.550 57.405 58.000 -0.075 0.000 1.058 772 F CB 1.173 40.110 39.000 -0.105 0.000 1.236 772 F HN 0.295 nan 8.300 nan 0.000 0.456 773 L N 4.423 125.607 121.223 -0.066 0.000 2.483 773 L HA 0.069 4.409 4.340 0.000 0.000 0.276 773 L C 0.937 177.582 176.870 -0.374 0.000 1.213 773 L CA -0.298 54.408 54.840 -0.223 0.000 0.843 773 L CB 0.269 42.334 42.059 0.011 0.000 1.107 773 L HN 0.489 nan 8.230 nan 0.000 0.487 774 K N 1.545 121.556 120.400 -0.650 0.000 2.332 774 K HA 0.042 4.362 4.320 0.000 0.000 0.246 774 K C 0.341 176.840 176.600 -0.168 0.000 1.066 774 K CA -0.214 55.774 56.287 -0.498 0.000 0.898 774 K CB 0.256 32.392 32.500 -0.606 0.000 1.192 774 K HN 0.462 nan 8.250 nan 0.000 0.509 775 D N -0.205 120.053 120.400 -0.236 0.000 2.360 775 D HA 0.027 4.667 4.640 0.000 0.000 0.210 775 D C -0.169 176.134 176.300 0.004 0.000 1.047 775 D CA 0.354 54.219 54.000 -0.225 0.000 0.854 775 D CB 0.143 40.620 40.800 -0.539 0.000 0.936 775 D HN 0.159 nan 8.370 nan 0.000 0.514 776 S N 0.675 116.503 115.700 0.214 0.000 2.531 776 S HA 0.218 4.688 4.470 0.000 0.000 0.279 776 S C 0.702 175.387 174.600 0.143 0.000 1.305 776 S CA -0.302 58.141 58.200 0.405 0.000 1.058 776 S CB 0.938 64.404 63.200 0.443 0.000 0.899 776 S HN 0.117 nan 8.310 nan 0.000 0.493 777 I N 3.655 124.215 120.570 -0.018 0.000 2.269 777 I HA 0.280 4.450 4.170 0.000 0.000 0.293 777 I C 0.668 176.608 176.117 -0.295 0.000 1.106 777 I CA 0.119 61.281 61.300 -0.230 0.000 1.248 777 I CB 0.158 37.843 38.000 -0.525 0.000 1.444 777 I HN 0.613 nan 8.210 nan 0.000 0.497 778 T N 2.883 117.240 114.554 -0.328 0.000 2.661 778 T HA 0.276 4.626 4.350 0.000 0.000 0.305 778 T C -1.000 173.448 174.700 -0.420 0.000 1.535 778 T CA -0.320 61.544 62.100 -0.394 0.000 1.000 778 T CB 1.697 70.278 68.868 -0.478 0.000 1.811 778 T HN 0.275 nan 8.240 nan 0.000 0.471 779 T N 2.178 116.491 114.554 -0.401 0.000 2.788 779 T HA 0.484 4.834 4.350 0.000 0.000 0.296 779 T C -1.031 173.505 174.700 -0.272 0.000 1.009 779 T CA -0.199 61.736 62.100 -0.275 0.000 0.949 779 T CB 0.040 68.803 68.868 -0.175 0.000 0.946 779 T HN 0.411 nan 8.240 nan 0.000 0.453 780 W N 2.427 123.744 121.300 0.028 0.000 2.345 780 W HA 0.323 4.983 4.660 0.000 0.000 0.308 780 W C 0.875 177.382 176.519 -0.020 0.000 1.273 780 W CA -0.698 56.683 57.345 0.059 0.000 1.243 780 W CB 0.434 29.995 29.460 0.170 0.000 1.260 780 W HN 0.592 nan 8.180 nan 0.000 0.509 781 E N 4.799 125.115 120.200 0.194 0.000 1.993 781 E HA 0.237 4.588 4.350 0.000 0.000 0.271 781 E C -0.458 176.193 176.600 0.084 0.000 1.008 781 E CA -0.384 56.070 56.400 0.090 0.000 0.814 781 E CB 0.189 29.919 29.700 0.050 0.000 1.098 781 E HN 0.415 nan 8.360 nan 0.000 0.407 782 I N 4.723 125.343 120.570 0.084 0.000 2.496 782 I HA 0.108 4.278 4.170 0.000 0.000 0.285 782 I C -0.210 175.932 176.117 0.042 0.000 1.080 782 I CA -0.463 60.854 61.300 0.029 0.000 1.404 782 I CB 0.616 38.647 38.000 0.051 0.000 1.403 782 I HN 0.437 nan 8.210 nan 0.000 0.539 783 L N 7.129 128.349 121.223 -0.005 0.000 2.362 783 L HA 0.782 5.122 4.340 0.000 0.000 0.275 783 L C -0.414 176.427 176.870 -0.049 0.000 0.998 783 L CA -0.209 54.628 54.840 -0.005 0.000 0.820 783 L CB 1.451 43.516 42.059 0.009 0.000 1.270 783 L HN 0.678 nan 8.230 nan 0.000 0.415 784 A N 4.454 127.247 122.820 -0.046 0.000 2.355 784 A HA 0.879 5.199 4.320 0.000 0.000 0.324 784 A C -1.443 176.099 177.584 -0.070 0.000 1.117 784 A CA -0.550 51.441 52.037 -0.076 0.000 0.785 784 A CB 1.722 20.678 19.000 -0.074 0.000 1.254 784 A HN 0.542 nan 8.150 nan 0.000 0.453 785 V N 2.244 122.103 119.914 -0.091 0.000 2.524 785 V HA 0.452 4.572 4.120 0.000 0.000 0.297 785 V C 0.141 176.187 176.094 -0.079 0.000 1.035 785 V CA -0.417 61.836 62.300 -0.077 0.000 0.867 785 V CB 1.553 33.325 31.823 -0.084 0.000 1.004 785 V HN 1.104 nan 8.190 nan 0.000 0.426 786 S N 4.455 120.119 115.700 -0.060 0.000 2.585 786 S HA 0.837 5.307 4.470 0.000 0.000 0.277 786 S C -0.458 174.113 174.600 -0.048 0.000 1.241 786 S CA -0.654 57.513 58.200 -0.056 0.000 1.041 786 S CB 1.799 64.971 63.200 -0.047 0.000 0.987 786 S HN 0.703 nan 8.310 nan 0.000 0.512 787 M N 3.153 122.726 119.600 -0.046 0.000 1.949 787 M HA 0.403 4.883 4.480 0.000 0.000 0.234 787 M C -0.546 175.735 176.300 -0.032 0.000 0.855 787 M CA -0.158 55.119 55.300 -0.038 0.000 0.800 787 M CB 1.142 33.718 32.600 -0.041 0.000 1.697 787 M HN 0.761 nan 8.290 nan 0.000 0.357 788 S N 1.183 116.866 115.700 -0.028 0.000 2.513 788 S HA 0.315 4.785 4.470 0.000 0.000 0.276 788 S C 0.916 175.504 174.600 -0.020 0.000 1.254 788 S CA -0.343 57.843 58.200 -0.024 0.000 1.053 788 S CB 0.627 63.813 63.200 -0.023 0.000 0.958 788 S HN 0.740 nan 8.310 nan 0.000 0.491 789 D N 4.613 125.002 120.400 -0.018 0.000 2.310 789 D HA -0.078 4.562 4.640 0.000 0.000 0.212 789 D C 1.125 177.417 176.300 -0.014 0.000 0.965 789 D CA 1.200 55.191 54.000 -0.015 0.000 0.879 789 D CB 0.099 40.890 40.800 -0.014 0.000 0.921 789 D HN 0.554 nan 8.370 nan 0.000 0.510 790 K N -0.000 120.391 120.400 -0.014 0.000 2.159 790 K HA 0.077 4.397 4.320 0.000 0.000 0.210 790 K C 2.080 178.672 176.600 -0.013 0.000 1.026 790 K CA 0.008 56.288 56.287 -0.013 0.000 0.959 790 K CB 0.181 32.674 32.500 -0.013 0.000 0.890 790 K HN -0.149 nan 8.250 nan 0.000 0.459 791 K N 0.446 120.837 120.400 -0.014 0.000 1.965 791 K HA -0.007 4.313 4.320 0.000 0.000 0.214 791 K C 1.405 177.997 176.600 -0.014 0.000 1.046 791 K CA 1.710 57.989 56.287 -0.014 0.000 0.944 791 K CB -0.417 32.073 32.500 -0.016 0.000 0.726 791 K HN 0.459 nan 8.250 nan 0.000 0.441 792 G N 0.173 108.963 108.800 -0.016 0.000 2.291 792 G HA2 -0.012 3.948 3.960 0.000 0.000 0.249 792 G HA3 -0.012 3.948 3.960 0.000 0.000 0.249 792 G C -1.394 173.495 174.900 -0.018 0.000 1.340 792 G CA -0.355 44.736 45.100 -0.015 0.000 1.017 792 G HN 0.226 nan 8.290 nan 0.000 0.470 793 I N 0.025 120.585 120.570 -0.017 0.000 2.440 793 I HA 0.673 4.843 4.170 0.000 0.000 0.294 793 I C -0.421 175.685 176.117 -0.018 0.000 0.995 793 I CA -0.712 60.576 61.300 -0.019 0.000 1.306 793 I CB 1.239 39.228 38.000 -0.017 0.000 1.407 793 I HN 0.930 nan 8.210 nan 0.000 0.501 794 C N 8.121 127.407 119.300 -0.022 0.000 2.947 794 C HA 0.439 4.899 4.460 0.000 0.000 0.401 794 C C -0.877 174.099 174.990 -0.024 0.000 1.019 794 C CA -0.601 58.405 59.018 -0.020 0.000 1.230 794 C CB 0.329 28.058 27.740 -0.020 0.000 1.644 794 C HN 0.662 nan 8.230 nan 0.000 0.523 795 V N 4.402 124.305 119.914 -0.018 0.000 2.465 795 V HA 0.864 4.985 4.120 0.000 0.000 0.279 795 V C 0.707 176.792 176.094 -0.014 0.000 1.045 795 V CA 0.282 62.570 62.300 -0.019 0.000 0.938 795 V CB 0.869 32.685 31.823 -0.012 0.000 0.986 795 V HN 1.408 nan 8.190 nan 0.000 0.467 796 A N 3.499 126.308 122.820 -0.018 0.000 2.296 796 A HA 0.509 4.829 4.320 0.000 0.000 0.264 796 A C 0.083 177.672 177.584 0.008 0.000 1.097 796 A CA -0.473 51.558 52.037 -0.010 0.000 0.811 796 A CB 0.019 19.006 19.000 -0.022 0.000 1.072 796 A HN 0.936 nan 8.150 nan 0.000 0.495 797 D N 0.976 121.389 120.400 0.021 0.000 2.345 797 D HA 0.415 5.055 4.640 0.000 0.000 0.247 797 D C -2.307 174.035 176.300 0.069 0.000 1.108 797 D CA -0.797 53.226 54.000 0.039 0.000 0.894 797 D CB 0.071 40.896 40.800 0.043 0.000 1.203 797 D HN 0.174 nan 8.370 nan 0.000 0.430 798 P HA 0.023 nan 4.420 nan 0.000 0.262 798 P C -0.670 176.710 177.300 0.132 0.000 1.199 798 P CA -0.027 63.120 63.100 0.079 0.000 0.763 798 P CB -0.015 31.710 31.700 0.042 0.000 0.790 799 F N 3.708 123.657 119.950 -0.002 0.000 2.332 799 F HA 0.250 4.777 4.527 0.000 0.000 0.368 799 F C 0.399 176.213 175.800 0.023 0.000 1.110 799 F CA -0.774 57.228 58.000 0.004 0.000 1.087 799 F CB 0.671 39.668 39.000 -0.005 0.000 1.235 799 F HN 0.245 nan 8.300 nan 0.000 0.470 800 E N 4.051 123.970 120.200 -0.467 0.000 2.343 800 E HA 0.445 4.795 4.350 0.000 0.000 0.269 800 E C -1.077 175.190 176.600 -0.555 0.000 1.047 800 E CA -0.626 55.556 56.400 -0.364 0.000 0.874 800 E CB 2.002 31.567 29.700 -0.224 0.000 1.033 800 E HN 0.367 nan 8.360 nan 0.000 0.409 801 V N 2.952 122.734 119.914 -0.219 0.000 2.462 801 V HA 0.121 4.241 4.120 0.000 0.000 0.288 801 V C -0.334 175.756 176.094 -0.006 0.000 1.020 801 V CA -0.772 61.466 62.300 -0.104 0.000 0.857 801 V CB 1.696 33.578 31.823 0.099 0.000 1.013 801 V HN 0.681 nan 8.190 nan 0.000 0.431 802 T N 4.546 119.062 114.554 -0.063 0.000 2.814 802 T HA 0.407 4.757 4.350 0.000 0.000 0.297 802 T C -0.021 174.663 174.700 -0.027 0.000 0.956 802 T CA -0.027 62.030 62.100 -0.072 0.000 1.123 802 T CB 1.085 69.894 68.868 -0.098 0.000 0.902 802 T HN 0.352 nan 8.240 nan 0.000 0.528 803 V N 5.699 125.587 119.914 -0.044 0.000 2.325 803 V HA 0.487 4.607 4.120 0.000 0.000 0.280 803 V C -0.146 175.879 176.094 -0.116 0.000 1.016 803 V CA -0.639 61.654 62.300 -0.012 0.000 0.818 803 V CB 1.116 33.008 31.823 0.114 0.000 1.019 803 V HN 0.853 nan 8.190 nan 0.000 0.434 804 M N 3.560 123.088 119.600 -0.121 0.000 2.727 804 M HA 0.642 5.122 4.480 0.000 0.000 0.300 804 M C -1.297 174.937 176.300 -0.110 0.000 1.246 804 M CA -0.546 54.632 55.300 -0.203 0.000 0.835 804 M CB 2.894 35.366 32.600 -0.212 0.000 1.755 804 M HN 0.692 nan 8.290 nan 0.000 0.473 805 Q N 0.753 120.495 119.800 -0.097 0.000 2.359 805 Q HA 0.239 4.580 4.340 0.000 0.000 0.274 805 Q C -0.728 175.461 176.000 0.314 0.000 1.074 805 Q CA -0.684 55.181 55.803 0.103 0.000 0.810 805 Q CB 2.044 30.851 28.738 0.115 0.000 1.342 805 Q HN 0.785 nan 8.270 nan 0.000 0.427 806 D N 1.654 122.231 120.400 0.295 0.000 2.103 806 D HA -0.119 4.521 4.640 0.000 0.000 0.190 806 D C -0.034 176.556 176.300 0.484 0.000 0.997 806 D CA 1.662 55.873 54.000 0.352 0.000 0.833 806 D CB 0.046 41.001 40.800 0.259 0.000 0.961 806 D HN 0.359 nan 8.370 nan 0.000 0.447 807 F N 0.421 120.544 119.950 0.289 0.000 2.493 807 F HA 0.454 4.981 4.527 0.000 0.000 0.329 807 F C -1.215 174.783 175.800 0.330 0.000 1.126 807 F CA -1.136 56.995 58.000 0.217 0.000 0.937 807 F CB 1.025 40.085 39.000 0.100 0.000 1.146 807 F HN -0.120 nan 8.300 nan 0.000 0.442 808 F N 4.732 124.329 119.950 -0.589 0.000 2.741 808 F HA 0.731 5.258 4.527 0.000 0.000 0.313 808 F C -2.106 173.452 175.800 -0.405 0.000 1.153 808 F CA -1.711 56.044 58.000 -0.408 0.000 0.931 808 F CB 0.999 39.953 39.000 -0.076 0.000 1.335 808 F HN 0.244 nan 8.300 nan 0.000 0.460 809 I N 1.534 122.082 120.570 -0.037 0.000 2.404 809 I HA 0.309 4.479 4.170 0.000 0.000 0.293 809 I C -1.168 175.064 176.117 0.192 0.000 0.992 809 I CA -0.498 60.781 61.300 -0.034 0.000 1.149 809 I CB 1.659 39.645 38.000 -0.023 0.000 1.315 809 I HN 0.566 nan 8.210 nan 0.000 0.446 810 D N 6.671 127.182 120.400 0.185 0.000 2.479 810 D HA 0.240 4.880 4.640 0.000 0.000 0.247 810 D C -0.980 175.373 176.300 0.088 0.000 1.119 810 D CA -0.506 53.630 54.000 0.226 0.000 0.922 810 D CB 0.752 41.823 40.800 0.451 0.000 1.014 810 D HN 0.189 nan 8.370 nan 0.000 0.510 811 L N 4.040 125.269 121.223 0.011 0.000 2.325 811 L HA 0.384 4.724 4.340 0.000 0.000 0.284 811 L C -0.254 176.587 176.870 -0.048 0.000 1.089 811 L CA 0.072 54.897 54.840 -0.025 0.000 0.836 811 L CB 0.215 42.239 42.059 -0.059 0.000 1.184 811 L HN 0.204 nan 8.230 nan 0.000 0.444 812 R N 5.493 125.984 120.500 -0.015 0.000 2.310 812 R HA 0.593 4.933 4.340 0.000 0.000 0.324 812 R C -1.350 174.942 176.300 -0.013 0.000 0.955 812 R CA -0.889 55.201 56.100 -0.015 0.000 0.830 812 R CB 1.290 31.597 30.300 0.012 0.000 1.154 812 R HN 0.401 nan 8.270 nan 0.000 0.458 813 L N 3.844 125.053 121.223 -0.022 0.000 2.346 813 L HA 0.523 4.863 4.340 0.000 0.000 0.274 813 L C -1.895 174.982 176.870 0.012 0.000 1.007 813 L CA -2.051 52.781 54.840 -0.012 0.000 0.818 813 L CB 0.986 43.026 42.059 -0.032 0.000 1.284 813 L HN 0.431 nan 8.230 nan 0.000 0.424 814 P HA 0.010 nan 4.420 nan 0.000 0.271 814 P C 0.268 177.621 177.300 0.088 0.000 1.238 814 P CA -0.147 62.989 63.100 0.061 0.000 0.794 814 P CB 0.370 32.105 31.700 0.058 0.000 0.959 815 Y N 0.670 120.976 120.300 0.009 0.000 2.181 815 Y HA -0.112 4.438 4.550 0.000 0.000 0.288 815 Y C 0.598 176.513 175.900 0.026 0.000 1.146 815 Y CA 1.812 59.921 58.100 0.016 0.000 1.164 815 Y CB 0.180 38.647 38.460 0.012 0.000 0.982 815 Y HN 0.403 nan 8.280 nan 0.000 0.515 816 S N -0.353 115.412 115.700 0.108 0.000 2.535 816 S HA 0.589 5.059 4.470 0.000 0.000 0.272 816 S C -1.256 173.388 174.600 0.074 0.000 1.149 816 S CA -0.444 57.778 58.200 0.036 0.000 0.888 816 S CB 1.400 64.659 63.200 0.097 0.000 1.110 816 S HN 0.558 nan 8.310 nan 0.000 0.463 817 V N -0.171 119.775 119.914 0.054 0.000 2.604 817 V HA 0.845 4.965 4.120 0.000 0.000 0.305 817 V C -0.125 175.999 176.094 0.050 0.000 1.043 817 V CA -0.968 61.371 62.300 0.066 0.000 0.888 817 V CB 1.263 33.139 31.823 0.087 0.000 0.995 817 V HN 0.843 nan 8.190 nan 0.000 0.429 818 V N 4.122 124.066 119.914 0.050 0.000 2.637 818 V HA 0.276 4.396 4.120 0.000 0.000 0.296 818 V C 0.949 177.054 176.094 0.018 0.000 1.046 818 V CA -0.172 62.147 62.300 0.032 0.000 1.066 818 V CB 0.801 32.647 31.823 0.039 0.000 0.968 818 V HN 1.089 nan 8.190 nan 0.000 0.483 819 R N 4.474 124.968 120.500 -0.010 0.000 2.643 819 R HA 0.053 4.393 4.340 0.000 0.000 0.270 819 R C 0.801 177.096 176.300 -0.009 0.000 1.061 819 R CA 0.269 56.353 56.100 -0.027 0.000 1.107 819 R CB 0.047 30.313 30.300 -0.056 0.000 0.999 819 R HN 0.878 nan 8.270 nan 0.000 0.460 820 N N 0.454 119.148 118.700 -0.010 0.000 2.936 820 N HA -0.188 4.552 4.740 0.000 0.000 0.236 820 N C -1.364 174.152 175.510 0.010 0.000 0.930 820 N CA 1.693 54.745 53.050 0.002 0.000 0.966 820 N CB -0.821 37.671 38.487 0.009 0.000 1.090 820 N HN 0.720 nan 8.380 nan 0.000 0.592 821 E N 0.801 121.013 120.200 0.021 0.000 2.156 821 E HA 0.178 4.528 4.350 0.000 0.000 0.279 821 E C 0.086 176.704 176.600 0.029 0.000 0.965 821 E CA -0.402 56.019 56.400 0.035 0.000 0.789 821 E CB 1.320 31.054 29.700 0.057 0.000 1.098 821 E HN 0.140 nan 8.360 nan 0.000 0.397 822 Q N 3.530 123.321 119.800 -0.016 0.000 2.296 822 Q HA 0.189 4.529 4.340 0.000 0.000 0.263 822 Q C -0.385 175.636 176.000 0.035 0.000 1.026 822 Q CA -0.391 55.343 55.803 -0.114 0.000 0.912 822 Q CB 0.509 29.008 28.738 -0.398 0.000 1.198 822 Q HN 0.452 nan 8.270 nan 0.000 0.407 823 V N 0.814 120.788 119.914 0.101 0.000 3.240 823 V HA 0.667 4.787 4.120 0.000 0.000 0.306 823 V C -0.837 175.411 176.094 0.257 0.000 1.227 823 V CA -0.886 61.560 62.300 0.243 0.000 1.047 823 V CB 1.888 33.801 31.823 0.149 0.000 1.203 823 V HN 0.857 nan 8.190 nan 0.000 0.471 824 E N 0.849 121.186 120.200 0.228 0.000 2.302 824 E HA 0.498 4.848 4.350 0.000 0.000 0.263 824 E C -1.065 175.601 176.600 0.111 0.000 0.897 824 E CA -0.734 55.779 56.400 0.188 0.000 0.809 824 E CB 1.740 31.576 29.700 0.226 0.000 1.270 824 E HN 0.885 nan 8.360 nan 0.000 0.410 825 I N 1.148 121.777 120.570 0.098 0.000 2.499 825 I HA 0.580 4.750 4.170 0.000 0.000 0.296 825 I C -0.406 175.779 176.117 0.113 0.000 0.992 825 I CA -0.963 60.380 61.300 0.071 0.000 1.297 825 I CB 1.074 39.081 38.000 0.012 0.000 1.410 825 I HN 0.222 nan 8.210 nan 0.000 0.507 826 R N 4.975 125.522 120.500 0.079 0.000 2.310 826 R HA 0.599 4.939 4.340 0.000 0.000 0.324 826 R C -0.858 175.490 176.300 0.079 0.000 0.955 826 R CA -0.805 55.342 56.100 0.080 0.000 0.830 826 R CB 1.587 31.911 30.300 0.041 0.000 1.154 826 R HN 0.856 nan 8.270 nan 0.000 0.458 827 A N 3.658 126.554 122.820 0.127 0.000 2.322 827 A HA 0.423 4.743 4.320 0.000 0.000 0.327 827 A C -0.085 177.513 177.584 0.023 0.000 1.394 827 A CA -0.626 51.469 52.037 0.097 0.000 0.921 827 A CB 0.623 19.733 19.000 0.183 0.000 1.153 827 A HN 0.408 nan 8.150 nan 0.000 0.523 828 V N 4.045 123.936 119.914 -0.038 0.000 2.406 828 V HA 0.224 4.344 4.120 0.000 0.000 0.272 828 V C -0.388 175.532 176.094 -0.289 0.000 1.043 828 V CA -0.245 61.938 62.300 -0.195 0.000 0.915 828 V CB 0.872 32.531 31.823 -0.273 0.000 0.988 828 V HN 0.685 nan 8.190 nan 0.000 0.466 829 L N 6.635 127.656 121.223 -0.336 0.000 2.255 829 L HA 0.452 4.792 4.340 0.000 0.000 0.289 829 L C -0.400 176.151 176.870 -0.533 0.000 1.046 829 L CA 0.018 54.634 54.840 -0.373 0.000 0.816 829 L CB 0.354 42.326 42.059 -0.146 0.000 1.197 829 L HN 0.460 nan 8.230 nan 0.000 0.427 830 Y N 2.086 121.976 120.300 -0.684 0.000 2.310 830 Y HA 0.396 4.946 4.550 0.000 0.000 0.326 830 Y C 0.713 176.322 175.900 -0.486 0.000 1.151 830 Y CA -0.233 57.451 58.100 -0.694 0.000 1.195 830 Y CB 1.108 38.968 38.460 -0.999 0.000 1.210 830 Y HN 0.526 nan 8.280 nan 0.000 0.483 831 N N 2.176 120.753 118.700 -0.205 0.000 2.664 831 N HA 0.145 4.885 4.740 0.000 0.000 0.257 831 N C -1.384 174.079 175.510 -0.078 0.000 1.108 831 N CA -0.530 52.521 53.050 0.003 0.000 0.822 831 N CB 0.001 38.524 38.487 0.061 0.000 1.199 831 N HN 0.510 nan 8.380 nan 0.000 0.529 832 Y N 1.005 121.400 120.300 0.159 0.000 2.495 832 Y HA 0.302 4.852 4.550 0.000 0.000 0.293 832 Y C 0.653 176.622 175.900 0.116 0.000 1.186 832 Y CA -0.242 57.943 58.100 0.142 0.000 1.266 832 Y CB 0.107 38.667 38.460 0.167 0.000 1.101 832 Y HN 0.154 nan 8.280 nan 0.000 0.517 833 R N 0.853 121.470 120.500 0.195 0.000 2.449 833 R HA -0.041 4.299 4.340 0.000 0.000 0.296 833 R C 1.337 177.700 176.300 0.106 0.000 1.047 833 R CA -0.097 56.084 56.100 0.134 0.000 1.018 833 R CB 0.712 31.060 30.300 0.081 0.000 0.962 833 R HN 0.264 nan 8.270 nan 0.000 0.428 834 Q N 3.021 122.881 119.800 0.101 0.000 1.998 834 Q HA -0.243 4.097 4.340 0.000 0.000 0.209 834 Q C -0.337 175.700 176.000 0.062 0.000 1.002 834 Q CA 2.261 58.114 55.803 0.084 0.000 0.858 834 Q CB 0.037 28.819 28.738 0.072 0.000 0.932 834 Q HN 0.754 nan 8.270 nan 0.000 0.416 835 N N -0.470 118.260 118.700 0.050 0.000 2.750 835 N HA 0.333 5.073 4.740 0.000 0.000 0.253 835 N C -1.792 173.736 175.510 0.030 0.000 1.408 835 N CA -0.537 52.535 53.050 0.037 0.000 0.780 835 N CB 1.333 39.840 38.487 0.034 0.000 1.191 835 N HN 0.063 nan 8.380 nan 0.000 0.511 836 Q N 0.831 120.644 119.800 0.021 0.000 2.487 836 Q HA 0.135 4.475 4.340 0.000 0.000 0.234 836 Q C -1.478 174.514 176.000 -0.013 0.000 0.828 836 Q CA -0.441 55.366 55.803 0.007 0.000 0.907 836 Q CB 0.908 29.646 28.738 -0.000 0.000 1.462 836 Q HN 0.549 nan 8.270 nan 0.000 0.442 837 E N 3.805 123.999 120.200 -0.010 0.000 2.404 837 E HA 0.441 4.791 4.350 0.000 0.000 0.261 837 E C -0.749 175.830 176.600 -0.036 0.000 1.074 837 E CA -0.393 55.996 56.400 -0.019 0.000 0.917 837 E CB 1.048 30.739 29.700 -0.014 0.000 0.965 837 E HN 0.533 nan 8.360 nan 0.000 0.433 838 L N 1.971 123.166 121.223 -0.045 0.000 2.362 838 L HA 0.381 4.721 4.340 0.000 0.000 0.275 838 L C -0.124 176.731 176.870 -0.024 0.000 0.998 838 L CA -0.982 53.813 54.840 -0.076 0.000 0.820 838 L CB 1.923 43.876 42.059 -0.177 0.000 1.270 838 L HN 0.611 nan 8.230 nan 0.000 0.415 839 K N 3.222 123.646 120.400 0.041 0.000 2.257 839 K HA 0.469 4.789 4.320 0.000 0.000 0.270 839 K C -1.111 175.596 176.600 0.178 0.000 1.098 839 K CA -0.384 55.949 56.287 0.077 0.000 0.943 839 K CB 0.726 33.262 32.500 0.060 0.000 1.316 839 K HN 0.377 nan 8.250 nan 0.000 0.447 840 V N 3.824 123.792 119.914 0.090 0.000 2.612 840 V HA 0.399 4.519 4.120 0.000 0.000 0.301 840 V C 0.125 176.313 176.094 0.157 0.000 1.046 840 V CA -0.883 61.472 62.300 0.093 0.000 0.946 840 V CB 1.551 33.421 31.823 0.079 0.000 1.003 840 V HN 0.673 nan 8.190 nan 0.000 0.459 841 R N 2.606 123.198 120.500 0.154 0.000 2.494 841 R HA 0.502 4.842 4.340 0.000 0.000 0.284 841 R C -0.968 175.393 176.300 0.100 0.000 1.525 841 R CA -0.264 55.920 56.100 0.141 0.000 1.460 841 R CB 1.354 31.763 30.300 0.181 0.000 1.134 841 R HN 0.626 nan 8.270 nan 0.000 0.592 842 V N 2.250 122.232 119.914 0.114 0.000 2.811 842 V HA 0.249 4.369 4.120 0.000 0.000 0.302 842 V C -0.323 175.854 176.094 0.138 0.000 1.063 842 V CA 0.346 62.729 62.300 0.139 0.000 1.088 842 V CB 1.453 33.381 31.823 0.175 0.000 0.982 842 V HN 0.799 nan 8.190 nan 0.000 0.485 843 E N 4.310 124.587 120.200 0.129 0.000 2.356 843 E HA 0.466 4.816 4.350 0.000 0.000 0.275 843 E C -2.023 174.609 176.600 0.053 0.000 0.904 843 E CA -0.991 55.481 56.400 0.119 0.000 0.757 843 E CB 2.013 31.759 29.700 0.077 0.000 1.232 843 E HN 0.644 nan 8.360 nan 0.000 0.442 844 L N 4.792 126.046 121.223 0.051 0.000 2.280 844 L HA 0.373 4.713 4.340 0.000 0.000 0.287 844 L C -1.421 175.438 176.870 -0.017 0.000 1.023 844 L CA -0.487 54.273 54.840 -0.134 0.000 0.819 844 L CB 0.773 42.616 42.059 -0.361 0.000 1.212 844 L HN 0.548 nan 8.230 nan 0.000 0.420 845 L N 4.465 125.668 121.223 -0.033 0.000 2.483 845 L HA 0.177 4.517 4.340 0.000 0.000 0.275 845 L C 0.318 177.220 176.870 0.054 0.000 1.220 845 L CA 0.350 55.208 54.840 0.031 0.000 0.833 845 L CB -0.102 41.970 42.059 0.022 0.000 1.102 845 L HN 0.662 nan 8.230 nan 0.000 0.490 846 H N 2.334 121.420 119.070 0.026 0.000 2.690 846 H HA 0.380 4.936 4.556 0.000 0.000 0.365 846 H C -0.420 174.946 175.328 0.063 0.000 1.142 846 H CA 0.099 56.173 56.048 0.043 0.000 1.417 846 H CB 0.565 30.356 29.762 0.049 0.000 1.446 846 H HN 0.578 nan 8.280 nan 0.000 0.599 847 N N 4.053 122.340 118.700 -0.688 0.000 2.578 847 N HA 0.174 4.914 4.740 0.000 0.000 0.282 847 N C -2.477 172.796 175.510 -0.395 0.000 1.119 847 N CA -1.853 51.001 53.050 -0.327 0.000 0.948 847 N CB 1.752 40.281 38.487 0.069 0.000 1.546 847 N HN 0.347 nan 8.380 nan 0.000 0.525 848 P HA -0.052 nan 4.420 nan 0.000 0.220 848 P C 0.753 177.992 177.300 -0.101 0.000 1.144 848 P CA 1.064 64.120 63.100 -0.073 0.000 0.800 848 P CB 0.309 32.034 31.700 0.042 0.000 0.772 849 A N -2.598 120.127 122.820 -0.158 0.000 2.119 849 A HA 0.051 4.371 4.320 0.000 0.000 0.217 849 A C 0.665 177.887 177.584 -0.604 0.000 1.153 849 A CA 0.880 52.699 52.037 -0.363 0.000 0.692 849 A CB -0.725 18.004 19.000 -0.451 0.000 0.799 849 A HN 0.088 nan 8.150 nan 0.000 0.458 850 F N -3.194 116.688 119.950 -0.114 0.000 2.618 850 F HA 0.534 5.061 4.527 0.000 0.000 0.332 850 F C 0.055 175.792 175.800 -0.106 0.000 1.061 850 F CA -1.179 56.759 58.000 -0.103 0.000 0.974 850 F CB 1.511 40.444 39.000 -0.112 0.000 1.310 850 F HN -0.161 nan 8.300 nan 0.000 0.491 851 c N 2.701 121.379 118.600 0.130 0.000 2.521 851 c HA 0.709 5.279 4.570 0.000 0.000 0.291 851 c C -0.135 173.962 174.090 0.012 0.000 1.074 851 c CA -0.349 56.008 56.329 0.045 0.000 1.495 851 c CB -1.645 40.874 42.510 0.015 0.000 1.862 851 c HN 0.819 nan 8.230 nan 0.000 0.418 852 S N 4.170 119.870 115.700 -0.000 0.000 2.753 852 S HA 0.591 5.061 4.470 0.000 0.000 0.302 852 S C 0.587 175.151 174.600 -0.060 0.000 1.104 852 S CA -0.747 57.414 58.200 -0.065 0.000 0.968 852 S CB 0.676 63.816 63.200 -0.099 0.000 1.278 852 S HN 0.587 nan 8.310 nan 0.000 0.549 853 L N 0.491 121.622 121.223 -0.154 0.000 2.599 853 L HA 0.324 4.664 4.340 0.000 0.000 0.230 853 L C 0.878 177.792 176.870 0.074 0.000 1.141 853 L CA 0.109 54.915 54.840 -0.056 0.000 0.877 853 L CB -0.662 41.359 42.059 -0.064 0.000 1.009 853 L HN 0.720 nan 8.230 nan 0.000 0.447 854 A N 0.319 123.197 122.820 0.097 0.000 2.258 854 A HA 0.565 4.885 4.320 0.000 0.000 0.316 854 A C 0.448 178.197 177.584 0.276 0.000 1.279 854 A CA -0.386 51.766 52.037 0.191 0.000 0.876 854 A CB 0.395 19.522 19.000 0.211 0.000 1.170 854 A HN 0.234 nan 8.150 nan 0.000 0.520 855 T N -1.261 113.382 114.554 0.150 0.000 2.855 855 T HA 0.462 4.812 4.350 0.000 0.000 0.275 855 T C 1.251 175.713 174.700 -0.397 0.000 1.022 855 T CA 0.447 62.537 62.100 -0.016 0.000 0.977 855 T CB 0.311 69.162 68.868 -0.030 0.000 1.559 855 T HN 0.835 nan 8.240 nan 0.000 0.600 856 T N -2.385 111.836 114.554 -0.555 0.000 3.148 856 T HA 0.258 4.608 4.350 0.000 0.000 0.253 856 T C 1.115 175.719 174.700 -0.160 0.000 1.134 856 T CA 0.166 62.006 62.100 -0.433 0.000 1.051 856 T CB -0.285 68.388 68.868 -0.325 0.000 0.959 856 T HN 0.652 nan 8.240 nan 0.000 0.525 857 K N -0.455 119.882 120.400 -0.103 0.000 2.491 857 K HA 0.299 4.619 4.320 0.000 0.000 0.211 857 K C 0.689 177.282 176.600 -0.011 0.000 1.210 857 K CA -0.357 55.907 56.287 -0.039 0.000 1.003 857 K CB 1.138 33.623 32.500 -0.025 0.000 1.009 857 K HN 0.140 nan 8.250 nan 0.000 0.577 858 R N 1.363 121.861 120.500 -0.003 0.000 2.664 858 R HA 0.365 4.705 4.340 0.000 0.000 0.286 858 R C -1.043 175.297 176.300 0.067 0.000 0.967 858 R CA -0.580 55.541 56.100 0.035 0.000 0.933 858 R CB 1.225 31.553 30.300 0.047 0.000 1.146 858 R HN -0.091 nan 8.270 nan 0.000 0.468 859 R N 2.613 123.161 120.500 0.081 0.000 2.310 859 R HA 0.141 4.481 4.340 0.000 0.000 0.316 859 R C -0.675 175.706 176.300 0.136 0.000 1.004 859 R CA -0.637 55.526 56.100 0.104 0.000 0.900 859 R CB 1.045 31.388 30.300 0.071 0.000 1.152 859 R HN 0.544 nan 8.270 nan 0.000 0.513 860 H N 5.403 124.529 119.070 0.095 0.000 3.232 860 H HA 0.021 4.577 4.556 0.000 0.000 0.254 860 H C -0.848 174.568 175.328 0.146 0.000 1.213 860 H CA 0.460 56.579 56.048 0.118 0.000 1.503 860 H CB 0.472 30.320 29.762 0.142 0.000 1.563 860 H HN 0.622 nan 8.280 nan 0.000 0.490 861 Q N 3.705 123.407 119.800 -0.164 0.000 2.379 861 Q HA 0.422 4.762 4.340 0.000 0.000 0.278 861 Q C -1.503 174.411 176.000 -0.144 0.000 1.068 861 Q CA -1.268 54.480 55.803 -0.091 0.000 0.816 861 Q CB 2.157 30.905 28.738 0.017 0.000 1.387 861 Q HN 0.389 nan 8.270 nan 0.000 0.413 862 Q N 0.423 120.160 119.800 -0.105 0.000 2.359 862 Q HA 0.628 4.968 4.340 0.000 0.000 0.275 862 Q C -1.118 174.843 176.000 -0.064 0.000 1.082 862 Q CA -0.543 55.186 55.803 -0.122 0.000 0.849 862 Q CB 2.535 31.181 28.738 -0.153 0.000 1.377 862 Q HN 0.670 nan 8.270 nan 0.000 0.452 863 T N 1.011 115.494 114.554 -0.119 0.000 2.934 863 T HA 0.568 4.918 4.350 0.000 0.000 0.328 863 T C -0.735 173.890 174.700 -0.125 0.000 1.068 863 T CA -0.595 61.459 62.100 -0.077 0.000 1.018 863 T CB 0.196 69.017 68.868 -0.079 0.000 1.009 863 T HN 0.454 nan 8.240 nan 0.000 0.471 864 V N 0.820 120.698 119.914 -0.060 0.000 3.103 864 V HA 0.892 5.012 4.120 0.000 0.000 0.318 864 V C -0.299 175.773 176.094 -0.036 0.000 1.114 864 V CA -0.875 61.388 62.300 -0.061 0.000 1.020 864 V CB 2.150 33.946 31.823 -0.044 0.000 1.085 864 V HN 0.595 nan 8.190 nan 0.000 0.446 865 T N 3.280 117.808 114.554 -0.043 0.000 2.833 865 T HA 0.590 4.940 4.350 0.000 0.000 0.297 865 T C -0.231 174.449 174.700 -0.033 0.000 1.015 865 T CA -0.005 62.075 62.100 -0.034 0.000 0.963 865 T CB 0.424 69.267 68.868 -0.043 0.000 0.955 865 T HN 0.603 nan 8.240 nan 0.000 0.449 866 I N 5.689 126.248 120.570 -0.018 0.000 2.352 866 I HA 0.257 4.427 4.170 0.000 0.000 0.290 866 I C -2.078 174.023 176.117 -0.027 0.000 1.036 866 I CA -2.413 58.874 61.300 -0.022 0.000 1.336 866 I CB 0.922 38.929 38.000 0.012 0.000 1.407 866 I HN 0.255 nan 8.210 nan 0.000 0.497 867 P HA 0.109 nan 4.420 nan 0.000 0.270 867 P C -2.487 174.801 177.300 -0.020 0.000 1.223 867 P CA -1.007 62.074 63.100 -0.032 0.000 0.785 867 P CB -0.228 31.446 31.700 -0.043 0.000 0.923 868 P HA 0.032 nan 4.420 nan 0.000 0.268 868 P C -0.494 176.812 177.300 0.009 0.000 1.205 868 P CA 0.259 63.363 63.100 0.007 0.000 0.771 868 P CB 0.044 31.753 31.700 0.016 0.000 0.858 869 K N -0.083 120.322 120.400 0.009 0.000 3.257 869 K HA -0.108 4.212 4.320 0.000 0.000 0.270 869 K C -0.043 176.536 176.600 -0.037 0.000 0.984 869 K CA 0.733 57.021 56.287 0.002 0.000 0.739 869 K CB -2.012 30.525 32.500 0.062 0.000 1.351 869 K HN 0.772 nan 8.250 nan 0.000 0.463 870 S N -1.948 113.688 115.700 -0.106 0.000 2.727 870 S HA 0.743 5.213 4.470 0.000 0.000 0.278 870 S C -0.758 173.734 174.600 -0.180 0.000 1.186 870 S CA -0.348 57.804 58.200 -0.079 0.000 0.836 870 S CB 2.312 65.516 63.200 0.008 0.000 1.186 870 S HN 0.469 nan 8.310 nan 0.000 0.499 871 S N -0.101 115.496 115.700 -0.173 0.000 2.627 871 S HA 0.857 5.327 4.470 0.000 0.000 0.283 871 S C -1.617 172.840 174.600 -0.239 0.000 1.127 871 S CA -0.792 57.201 58.200 -0.345 0.000 0.863 871 S CB 1.473 64.246 63.200 -0.712 0.000 1.121 871 S HN 1.482 nan 8.310 nan 0.000 0.479 872 L N 1.188 122.249 121.223 -0.270 0.000 2.436 872 L HA 0.745 5.085 4.340 0.000 0.000 0.268 872 L C -0.504 176.264 176.870 -0.170 0.000 0.974 872 L CA -0.163 54.577 54.840 -0.166 0.000 0.826 872 L CB 2.158 44.154 42.059 -0.106 0.000 1.291 872 L HN 0.920 nan 8.230 nan 0.000 0.406 873 S N 3.680 119.308 115.700 -0.120 0.000 2.475 873 S HA 0.677 5.147 4.470 0.000 0.000 0.281 873 S C -0.786 173.777 174.600 -0.062 0.000 1.198 873 S CA -0.473 57.675 58.200 -0.088 0.000 1.063 873 S CB 0.572 63.736 63.200 -0.060 0.000 0.972 873 S HN 0.466 nan 8.310 nan 0.000 0.486 874 V N 8.664 128.551 119.914 -0.045 0.000 2.311 874 V HA 0.373 4.493 4.120 0.000 0.000 0.275 874 V C -2.248 173.753 176.094 -0.154 0.000 1.022 874 V CA -1.975 60.266 62.300 -0.098 0.000 0.830 874 V CB 0.879 32.672 31.823 -0.050 0.000 1.012 874 V HN 0.718 nan 8.190 nan 0.000 0.452 875 P HA 0.243 nan 4.420 nan 0.000 0.269 875 P C -1.260 175.851 177.300 -0.315 0.000 1.209 875 P CA 0.110 63.135 63.100 -0.126 0.000 0.776 875 P CB 0.241 31.904 31.700 -0.062 0.000 0.876 876 Y N 0.420 120.751 120.300 0.051 0.000 2.315 876 Y HA 0.295 4.845 4.550 0.000 0.000 0.324 876 Y C -0.208 175.689 175.900 -0.004 0.000 1.062 876 Y CA -0.983 57.132 58.100 0.024 0.000 1.159 876 Y CB 1.536 39.994 38.460 -0.004 0.000 1.145 876 Y HN 0.105 nan 8.280 nan 0.000 0.442 877 V N 4.351 124.325 119.914 0.101 0.000 2.383 877 V HA 0.791 4.911 4.120 0.000 0.000 0.275 877 V C -0.109 175.963 176.094 -0.038 0.000 1.036 877 V CA -0.537 61.779 62.300 0.027 0.000 0.889 877 V CB 0.480 32.275 31.823 -0.046 0.000 0.985 877 V HN 0.667 nan 8.190 nan 0.000 0.459 878 I N 2.344 122.897 120.570 -0.027 0.000 3.174 878 I HA 0.918 5.088 4.170 0.000 0.000 0.313 878 I C -1.128 175.009 176.117 0.032 0.000 1.155 878 I CA -1.308 59.986 61.300 -0.010 0.000 0.977 878 I CB 2.644 40.619 38.000 -0.042 0.000 1.248 878 I HN 0.340 nan 8.210 nan 0.000 0.453 879 V N 2.207 122.182 119.914 0.101 0.000 2.445 879 V HA 0.360 4.480 4.120 0.000 0.000 0.283 879 V C -2.534 173.625 176.094 0.108 0.000 1.014 879 V CA -1.388 60.957 62.300 0.075 0.000 0.852 879 V CB 1.381 33.201 31.823 -0.004 0.000 1.021 879 V HN 0.614 nan 8.190 nan 0.000 0.435 880 P HA 0.149 nan 4.420 nan 0.000 0.260 880 P C 0.769 177.980 177.300 -0.149 0.000 1.207 880 P CA 0.473 63.500 63.100 -0.123 0.000 0.780 880 P CB 0.560 32.234 31.700 -0.044 0.000 0.789 881 L N 3.206 124.296 121.223 -0.222 0.000 2.249 881 L HA 0.086 4.426 4.340 0.000 0.000 0.207 881 L C 1.191 177.985 176.870 -0.127 0.000 1.090 881 L CA 0.929 55.694 54.840 -0.125 0.000 0.802 881 L CB -0.387 41.616 42.059 -0.094 0.000 0.947 881 L HN 0.350 nan 8.230 nan 0.000 0.453 882 K N -0.344 119.939 120.400 -0.196 0.000 2.426 882 K HA 0.464 4.784 4.320 0.000 0.000 0.251 882 K C -0.163 176.336 176.600 -0.168 0.000 0.941 882 K CA -0.705 55.490 56.287 -0.154 0.000 0.808 882 K CB 1.646 34.065 32.500 -0.136 0.000 1.265 882 K HN -0.117 nan 8.250 nan 0.000 0.432 883 T N -1.045 113.435 114.554 -0.124 0.000 2.681 883 T HA 0.528 4.878 4.350 0.000 0.000 0.333 883 T C 0.849 175.488 174.700 -0.103 0.000 1.049 883 T CA 0.271 62.303 62.100 -0.112 0.000 1.002 883 T CB -0.017 68.788 68.868 -0.104 0.000 1.161 883 T HN 1.296 nan 8.240 nan 0.000 0.519 884 G N -0.535 108.219 108.800 -0.078 0.000 2.757 884 G HA2 0.042 4.002 3.960 0.000 0.000 0.638 884 G HA3 0.042 4.002 3.960 0.000 0.000 0.638 884 G C -0.808 174.057 174.900 -0.058 0.000 1.344 884 G CA -0.365 44.699 45.100 -0.059 0.000 0.855 884 G HN 1.300 nan 8.290 nan 0.000 0.537 885 L N 1.216 122.414 121.223 -0.041 0.000 2.363 885 L HA 0.477 4.817 4.340 0.000 0.000 0.286 885 L C 0.855 177.718 176.870 -0.011 0.000 1.106 885 L CA -0.240 54.583 54.840 -0.029 0.000 0.859 885 L CB 0.440 42.484 42.059 -0.024 0.000 1.223 885 L HN 0.630 nan 8.230 nan 0.000 0.446 886 Q N 3.215 123.022 119.800 0.012 0.000 2.162 886 Q HA 0.381 4.721 4.340 0.000 0.000 0.197 886 Q C -0.597 175.492 176.000 0.149 0.000 1.013 886 Q CA -0.368 55.471 55.803 0.059 0.000 1.040 886 Q CB 0.987 29.715 28.738 -0.017 0.000 1.114 886 Q HN 0.667 nan 8.270 nan 0.000 0.547 887 E N 0.048 120.385 120.200 0.229 0.000 2.246 887 E HA 0.479 4.829 4.350 0.000 0.000 0.266 887 E C -1.645 175.023 176.600 0.115 0.000 0.880 887 E CA -0.456 56.030 56.400 0.144 0.000 0.762 887 E CB 1.657 31.410 29.700 0.089 0.000 1.180 887 E HN 0.214 nan 8.360 nan 0.000 0.416 888 V N 4.060 123.960 119.914 -0.023 0.000 2.448 888 V HA 0.433 4.553 4.120 0.000 0.000 0.295 888 V C -0.520 175.508 176.094 -0.109 0.000 1.025 888 V CA -0.626 61.570 62.300 -0.173 0.000 0.859 888 V CB 1.647 33.283 31.823 -0.311 0.000 0.988 888 V HN 0.749 nan 8.190 nan 0.000 0.431 889 E N 3.477 123.607 120.200 -0.117 0.000 2.275 889 E HA 0.723 5.073 4.350 0.000 0.000 0.270 889 E C -1.629 174.909 176.600 -0.104 0.000 0.882 889 E CA -0.619 55.740 56.400 -0.069 0.000 0.758 889 E CB 2.410 32.100 29.700 -0.017 0.000 1.195 889 E HN 0.607 nan 8.360 nan 0.000 0.419 890 V N 0.851 120.717 119.914 -0.079 0.000 2.638 890 V HA 0.661 4.781 4.120 0.000 0.000 0.306 890 V C -0.875 175.217 176.094 -0.003 0.000 1.052 890 V CA -0.893 61.357 62.300 -0.084 0.000 0.885 890 V CB 1.539 33.277 31.823 -0.141 0.000 0.999 890 V HN 0.587 nan 8.190 nan 0.000 0.424 891 K N 2.885 123.297 120.400 0.020 0.000 2.281 891 K HA 0.981 5.301 4.320 0.000 0.000 0.242 891 K C -0.655 175.997 176.600 0.086 0.000 0.971 891 K CA -0.586 55.733 56.287 0.054 0.000 0.834 891 K CB 2.486 35.010 32.500 0.041 0.000 1.181 891 K HN 1.214 nan 8.250 nan 0.000 0.435 892 A N 0.730 123.625 122.820 0.124 0.000 2.540 892 A HA 0.729 5.049 4.320 0.000 0.000 0.297 892 A C -1.770 175.914 177.584 0.167 0.000 1.056 892 A CA -0.616 51.524 52.037 0.171 0.000 0.700 892 A CB 1.638 20.800 19.000 0.269 0.000 1.280 892 A HN 0.689 nan 8.150 nan 0.000 0.398 893 A N 0.961 123.810 122.820 0.049 0.000 2.413 893 A HA 0.882 5.202 4.320 0.000 0.000 0.307 893 A C -0.092 177.403 177.584 -0.149 0.000 1.087 893 A CA -0.092 51.903 52.037 -0.069 0.000 0.750 893 A CB 1.279 20.201 19.000 -0.130 0.000 1.296 893 A HN 2.241 nan 8.150 nan 0.000 0.423 894 V N -1.161 118.621 119.914 -0.220 0.000 2.713 894 V HA 0.699 4.819 4.120 0.000 0.000 0.307 894 V C -0.708 175.351 176.094 -0.058 0.000 1.052 894 V CA -0.883 61.326 62.300 -0.151 0.000 0.967 894 V CB 0.800 32.463 31.823 -0.268 0.000 1.019 894 V HN 0.687 nan 8.190 nan 0.000 0.459 895 Y N 2.042 122.356 120.300 0.023 0.000 2.299 895 Y HA 0.447 4.997 4.550 0.000 0.000 0.326 895 Y C 0.999 177.006 175.900 0.178 0.000 1.164 895 Y CA 0.839 58.948 58.100 0.015 0.000 1.234 895 Y CB 0.421 38.914 38.460 0.056 0.000 1.219 895 Y HN 1.018 nan 8.280 nan 0.000 0.497 896 H N -0.406 118.742 119.070 0.129 0.000 2.899 896 H HA -0.211 4.345 4.556 0.000 0.000 0.282 896 H C -1.103 174.023 175.328 -0.336 0.000 1.198 896 H CA 1.108 57.123 56.048 -0.055 0.000 1.140 896 H CB -2.077 27.645 29.762 -0.067 0.000 1.317 896 H HN 0.717 nan 8.280 nan 0.000 0.375 897 H N -2.036 117.094 119.070 0.100 0.000 3.017 897 H HA 0.343 4.899 4.556 0.000 0.000 0.346 897 H C -0.978 174.414 175.328 0.107 0.000 1.286 897 H CA -0.874 55.235 56.048 0.102 0.000 1.120 897 H CB 0.703 30.502 29.762 0.062 0.000 1.860 897 H HN 0.075 nan 8.280 nan 0.000 0.542 898 F N 2.946 122.975 119.950 0.131 0.000 2.753 898 F HA 0.396 4.923 4.527 0.000 0.000 0.314 898 F C -1.198 174.648 175.800 0.076 0.000 1.215 898 F CA -0.282 57.759 58.000 0.069 0.000 1.243 898 F CB -0.120 38.914 39.000 0.056 0.000 1.400 898 F HN 0.232 nan 8.300 nan 0.000 0.548 899 I N 1.597 122.137 120.570 -0.050 0.000 2.582 899 I HA 0.456 4.626 4.170 0.000 0.000 0.292 899 I C -0.397 175.665 176.117 -0.091 0.000 1.066 899 I CA -0.504 60.769 61.300 -0.045 0.000 1.053 899 I CB 1.537 39.532 38.000 -0.008 0.000 1.241 899 I HN 0.287 nan 8.210 nan 0.000 0.421 900 S N 3.593 119.300 115.700 0.011 0.000 2.588 900 S HA 0.818 5.288 4.470 0.000 0.000 0.269 900 S C -1.616 173.103 174.600 0.197 0.000 1.157 900 S CA -0.739 57.512 58.200 0.086 0.000 0.824 900 S CB 3.231 66.399 63.200 -0.053 0.000 1.126 900 S HN 0.590 nan 8.310 nan 0.000 0.464 901 D N -1.348 119.188 120.400 0.227 0.000 2.648 901 D HA 0.705 5.345 4.640 0.000 0.000 0.244 901 D C -0.663 175.716 176.300 0.132 0.000 1.244 901 D CA 0.214 54.320 54.000 0.177 0.000 0.772 901 D CB 1.786 42.695 40.800 0.182 0.000 1.379 901 D HN 1.064 nan 8.370 nan 0.000 0.428 902 G N -0.124 108.744 108.800 0.114 0.000 2.718 902 G HA2 0.583 4.543 3.960 0.000 0.000 0.295 902 G HA3 0.583 4.543 3.960 0.000 0.000 0.295 902 G C -1.716 173.261 174.900 0.129 0.000 1.421 902 G CA -0.553 44.605 45.100 0.097 0.000 0.902 902 G HN 0.434 nan 8.290 nan 0.000 0.501 903 V N 0.689 120.669 119.914 0.109 0.000 2.577 903 V HA 0.598 4.718 4.120 0.000 0.000 0.303 903 V C -0.053 176.105 176.094 0.107 0.000 1.042 903 V CA -0.834 61.557 62.300 0.153 0.000 0.872 903 V CB 1.872 33.736 31.823 0.069 0.000 0.998 903 V HN 0.780 nan 8.190 nan 0.000 0.423 904 R N 3.927 124.536 120.500 0.182 0.000 2.505 904 R HA 0.446 4.786 4.340 0.000 0.000 0.284 904 R C -0.205 176.183 176.300 0.146 0.000 1.324 904 R CA -0.388 55.783 56.100 0.118 0.000 1.432 904 R CB 0.442 30.800 30.300 0.096 0.000 1.107 904 R HN 0.699 nan 8.270 nan 0.000 0.587 905 K N 0.525 120.964 120.400 0.064 0.000 2.240 905 K HA 0.468 4.788 4.320 0.000 0.000 0.237 905 K C -0.467 176.150 176.600 0.028 0.000 1.027 905 K CA -0.733 55.580 56.287 0.042 0.000 0.937 905 K CB 1.598 34.059 32.500 -0.065 0.000 1.171 905 K HN 0.221 nan 8.250 nan 0.000 0.479 906 S N 0.941 116.656 115.700 0.025 0.000 2.536 906 S HA 0.503 4.973 4.470 0.000 0.000 0.287 906 S C -1.133 173.468 174.600 0.003 0.000 1.101 906 S CA -0.987 57.229 58.200 0.028 0.000 0.950 906 S CB 1.009 64.230 63.200 0.033 0.000 1.056 906 S HN 0.532 nan 8.310 nan 0.000 0.481 907 L N -0.092 121.147 121.223 0.026 0.000 2.386 907 L HA 0.711 5.051 4.340 0.000 0.000 0.271 907 L C -0.830 176.035 176.870 -0.008 0.000 0.993 907 L CA -0.993 53.844 54.840 -0.004 0.000 0.819 907 L CB 1.336 43.411 42.059 0.028 0.000 1.294 907 L HN 0.363 nan 8.230 nan 0.000 0.414 908 K N 2.302 122.641 120.400 -0.101 0.000 2.295 908 K HA 0.416 4.736 4.320 0.000 0.000 0.270 908 K C -0.757 175.817 176.600 -0.045 0.000 1.011 908 K CA -0.539 55.688 56.287 -0.101 0.000 0.953 908 K CB 1.776 34.154 32.500 -0.203 0.000 0.956 908 K HN 0.508 nan 8.250 nan 0.000 0.477 909 V N 3.515 123.404 119.914 -0.042 0.000 2.276 909 V HA 0.082 4.202 4.120 0.000 0.000 0.268 909 V C -0.267 175.800 176.094 -0.044 0.000 1.032 909 V CA -0.880 61.398 62.300 -0.037 0.000 0.810 909 V CB 1.020 32.795 31.823 -0.080 0.000 1.060 909 V HN 0.481 nan 8.190 nan 0.000 0.446 910 V N 6.980 126.885 119.914 -0.015 0.000 2.585 910 V HA 0.165 4.285 4.120 0.000 0.000 0.296 910 V C -1.796 174.256 176.094 -0.070 0.000 1.035 910 V CA -1.182 61.111 62.300 -0.013 0.000 1.084 910 V CB 1.048 32.911 31.823 0.066 0.000 0.953 910 V HN 0.613 nan 8.190 nan 0.000 0.483 911 P HA 0.028 nan 4.420 nan 0.000 0.268 911 P C -0.161 177.070 177.300 -0.114 0.000 1.208 911 P CA -0.178 62.789 63.100 -0.223 0.000 0.777 911 P CB 0.410 31.823 31.700 -0.478 0.000 0.875 912 E N 1.153 121.316 120.200 -0.061 0.000 2.328 912 E HA 0.372 4.722 4.350 0.000 0.000 0.265 912 E C 0.363 176.975 176.600 0.020 0.000 1.057 912 E CA 0.065 56.462 56.400 -0.006 0.000 0.916 912 E CB -0.491 29.211 29.700 0.003 0.000 0.993 912 E HN 0.634 nan 8.360 nan 0.000 0.446 913 G N 3.770 112.600 108.800 0.049 0.000 2.398 913 G HA2 0.137 4.097 3.960 0.000 0.000 0.251 913 G HA3 0.137 4.097 3.960 0.000 0.000 0.251 913 G C -1.576 173.359 174.900 0.059 0.000 1.277 913 G CA -0.492 44.647 45.100 0.063 0.000 0.927 913 G HN 0.590 nan 8.290 nan 0.000 0.477 914 I N -0.042 120.541 120.570 0.021 0.000 2.769 914 I HA 0.616 4.786 4.170 0.000 0.000 0.298 914 I C -0.599 175.434 176.117 -0.139 0.000 1.128 914 I CA -1.266 60.014 61.300 -0.033 0.000 1.031 914 I CB 1.986 39.958 38.000 -0.046 0.000 1.235 914 I HN 0.394 nan 8.210 nan 0.000 0.423 915 R N 7.497 127.909 120.500 -0.148 0.000 2.248 915 R HA 0.404 4.744 4.340 0.000 0.000 0.337 915 R C -0.652 175.500 176.300 -0.247 0.000 1.085 915 R CA -0.174 55.778 56.100 -0.247 0.000 0.934 915 R CB 0.325 30.527 30.300 -0.164 0.000 1.034 915 R HN 0.551 nan 8.270 nan 0.000 0.465 916 M N 1.973 121.336 119.600 -0.395 0.000 2.762 916 M HA 0.309 4.789 4.480 0.000 0.000 0.306 916 M C 0.045 176.240 176.300 -0.175 0.000 1.223 916 M CA -0.949 54.171 55.300 -0.299 0.000 0.896 916 M CB 1.707 34.068 32.600 -0.399 0.000 1.684 916 M HN 0.392 nan 8.290 nan 0.000 0.491 917 N N -0.048 118.635 118.700 -0.029 0.000 2.751 917 N HA 0.222 4.962 4.740 0.000 0.000 0.238 917 N C -1.594 173.967 175.510 0.084 0.000 1.351 917 N CA -0.561 52.518 53.050 0.050 0.000 0.751 917 N CB 0.188 38.682 38.487 0.011 0.000 1.342 917 N HN 0.397 nan 8.380 nan 0.000 0.540 918 K N 0.742 121.236 120.400 0.156 0.000 2.436 918 K HA 0.094 4.414 4.320 0.000 0.000 0.282 918 K C -0.283 176.361 176.600 0.073 0.000 1.044 918 K CA 0.341 56.697 56.287 0.114 0.000 1.028 918 K CB 0.164 32.742 32.500 0.130 0.000 0.919 918 K HN 0.386 nan 8.250 nan 0.000 0.474 919 T N 3.346 117.930 114.554 0.050 0.000 2.776 919 T HA 0.033 4.383 4.350 0.000 0.000 0.292 919 T C 1.807 176.526 174.700 0.032 0.000 0.921 919 T CA -0.505 61.618 62.100 0.039 0.000 1.038 919 T CB 0.627 69.512 68.868 0.028 0.000 0.910 919 T HN 0.274 nan 8.240 nan 0.000 0.536 920 V N 2.490 122.425 119.914 0.036 0.000 2.220 920 V HA 0.012 4.132 4.120 0.000 0.000 0.246 920 V C 1.265 177.363 176.094 0.007 0.000 1.049 920 V CA 1.981 64.294 62.300 0.021 0.000 1.003 920 V CB -0.628 31.214 31.823 0.032 0.000 0.634 920 V HN 1.026 nan 8.190 nan 0.000 0.444 921 A N -1.247 121.582 122.820 0.014 0.000 2.608 921 A HA 0.643 4.963 4.320 0.000 0.000 0.292 921 A C -1.115 176.479 177.584 0.016 0.000 1.066 921 A CA 0.154 52.193 52.037 0.004 0.000 0.676 921 A CB 1.911 20.901 19.000 -0.018 0.000 1.277 921 A HN 0.869 nan 8.150 nan 0.000 0.413 922 V N -0.009 119.912 119.914 0.011 0.000 2.313 922 V HA 0.568 4.688 4.120 0.000 0.000 0.262 922 V C -0.243 175.857 176.094 0.011 0.000 1.011 922 V CA -0.985 61.323 62.300 0.014 0.000 0.858 922 V CB 0.232 32.063 31.823 0.013 0.000 1.104 922 V HN 0.748 nan 8.190 nan 0.000 0.456 923 R N 1.421 121.929 120.500 0.013 0.000 2.577 923 R HA 0.640 4.980 4.340 0.000 0.000 0.269 923 R C 0.057 176.366 176.300 0.014 0.000 1.084 923 R CA -0.293 55.814 56.100 0.010 0.000 1.163 923 R CB 0.941 31.245 30.300 0.008 0.000 1.100 923 R HN 0.624 nan 8.270 nan 0.000 0.547 924 T N 2.238 116.800 114.554 0.014 0.000 2.779 924 T HA 0.463 4.813 4.350 0.000 0.000 0.280 924 T C 0.071 174.782 174.700 0.018 0.000 0.987 924 T CA -0.627 61.483 62.100 0.016 0.000 0.966 924 T CB 0.986 69.864 68.868 0.017 0.000 0.933 924 T HN 0.201 nan 8.240 nan 0.000 0.442 925 L N 4.827 126.062 121.223 0.020 0.000 2.265 925 L HA 0.560 4.900 4.340 0.000 0.000 0.289 925 L C -0.547 176.338 176.870 0.024 0.000 1.033 925 L CA -0.690 54.164 54.840 0.022 0.000 0.814 925 L CB 0.650 42.722 42.059 0.022 0.000 1.203 925 L HN 0.750 nan 8.230 nan 0.000 0.423 926 D N 2.695 123.110 120.400 0.025 0.000 2.491 926 D HA 0.220 4.860 4.640 0.000 0.000 0.232 926 D C -2.899 173.417 176.300 0.027 0.000 1.334 926 D CA -1.261 52.757 54.000 0.029 0.000 0.909 926 D CB 0.896 41.716 40.800 0.032 0.000 1.513 926 D HN 0.075 nan 8.370 nan 0.000 0.514 927 P HA 0.087 nan 4.420 nan 0.000 0.272 927 P C 0.500 177.817 177.300 0.028 0.000 1.248 927 P CA 0.319 63.434 63.100 0.025 0.000 0.799 927 P CB 0.537 32.251 31.700 0.024 0.000 0.997 928 E N -2.333 117.882 120.200 0.025 0.000 4.584 928 E HA -0.352 3.998 4.350 0.000 0.000 0.282 928 E C 1.449 178.065 176.600 0.027 0.000 0.747 928 E CA 1.551 57.967 56.400 0.027 0.000 1.563 928 E CB -1.066 28.653 29.700 0.032 0.000 1.779 928 E HN 0.458 nan 8.360 nan 0.000 0.408 929 R N 0.664 121.180 120.500 0.028 0.000 2.123 929 R HA 0.204 4.544 4.340 0.000 0.000 0.209 929 R C 1.647 177.960 176.300 0.022 0.000 1.078 929 R CA 0.817 56.934 56.100 0.028 0.000 1.028 929 R CB 0.457 30.776 30.300 0.031 0.000 0.939 929 R HN 0.180 nan 8.270 nan 0.000 0.463 930 L N 0.334 121.569 121.223 0.021 0.000 3.229 930 L HA 0.435 4.775 4.340 0.000 0.000 0.286 930 L C 0.576 177.455 176.870 0.015 0.000 1.239 930 L CA -0.467 54.383 54.840 0.017 0.000 1.035 930 L CB 1.533 43.601 42.059 0.016 0.000 1.408 930 L HN 0.215 nan 8.230 nan 0.000 0.593 931 G N 0.995 109.805 108.800 0.017 0.000 2.890 931 G HA2 0.733 4.693 3.960 0.000 0.000 0.189 931 G HA3 0.733 4.693 3.960 0.000 0.000 0.189 931 G C -0.661 174.247 174.900 0.014 0.000 1.342 931 G CA -0.494 44.615 45.100 0.015 0.000 1.026 931 G HN 0.252 nan 8.290 nan 0.000 0.579 932 R N -1.799 118.709 120.500 0.014 0.000 2.808 932 R HA 0.386 4.726 4.340 0.000 0.000 0.254 932 R C -0.836 175.471 176.300 0.012 0.000 1.145 932 R CA -0.608 55.500 56.100 0.012 0.000 1.066 932 R CB 0.819 31.125 30.300 0.010 0.000 1.268 932 R HN 0.446 nan 8.270 nan 0.000 0.447 933 E N 0.807 121.015 120.200 0.012 0.000 3.370 933 E HA -0.246 4.104 4.350 0.000 0.000 0.291 933 E C 0.998 177.607 176.600 0.014 0.000 0.916 933 E CA 2.414 58.821 56.400 0.012 0.000 0.981 933 E CB -1.310 28.396 29.700 0.011 0.000 1.498 933 E HN 1.287 nan 8.360 nan 0.000 0.452 934 G N -2.358 106.452 108.800 0.016 0.000 2.195 934 G HA2 -0.222 3.738 3.960 0.000 0.000 0.224 934 G HA3 -0.222 3.738 3.960 0.000 0.000 0.224 934 G C 0.304 175.214 174.900 0.018 0.000 0.990 934 G CA 0.404 45.514 45.100 0.018 0.000 0.639 934 G HN 1.103 nan 8.290 nan 0.000 0.514 935 V N -2.165 117.759 119.914 0.017 0.000 2.815 935 V HA 0.904 5.024 4.120 0.000 0.000 0.314 935 V C -0.381 175.723 176.094 0.017 0.000 1.064 935 V CA -0.580 61.730 62.300 0.017 0.000 0.952 935 V CB 1.978 33.811 31.823 0.016 0.000 1.020 935 V HN 0.601 nan 8.190 nan 0.000 0.439 936 Q N 1.708 121.519 119.800 0.018 0.000 2.285 936 Q HA 0.517 4.857 4.340 0.000 0.000 0.269 936 Q C -1.400 174.610 176.000 0.017 0.000 1.030 936 Q CA -0.699 55.114 55.803 0.017 0.000 0.788 936 Q CB 2.311 31.060 28.738 0.018 0.000 1.266 936 Q HN 0.894 nan 8.270 nan 0.000 0.438 937 K N 2.586 122.993 120.400 0.012 0.000 2.159 937 K HA 0.406 4.726 4.320 0.000 0.000 0.266 937 K C -1.004 175.597 176.600 0.002 0.000 0.975 937 K CA -0.687 55.606 56.287 0.010 0.000 0.865 937 K CB 1.644 34.147 32.500 0.006 0.000 1.087 937 K HN 0.400 nan 8.250 nan 0.000 0.446 938 E N 2.489 122.689 120.200 -0.001 0.000 2.343 938 E HA 0.153 4.503 4.350 0.000 0.000 0.260 938 E C -1.549 175.020 176.600 -0.052 0.000 0.908 938 E CA -0.485 55.904 56.400 -0.019 0.000 0.814 938 E CB 0.694 30.391 29.700 -0.005 0.000 1.302 938 E HN 0.354 nan 8.360 nan 0.000 0.408 939 D N 3.202 123.558 120.400 -0.074 0.000 2.341 939 D HA 0.336 4.976 4.640 0.000 0.000 0.245 939 D C 0.005 176.184 176.300 -0.202 0.000 1.106 939 D CA 0.149 54.072 54.000 -0.129 0.000 0.905 939 D CB 0.941 41.683 40.800 -0.096 0.000 1.202 939 D HN 0.421 nan 8.370 nan 0.000 0.426 940 I N 2.621 122.975 120.570 -0.361 0.000 2.476 940 I HA 0.193 4.363 4.170 0.000 0.000 0.281 940 I C -2.402 173.475 176.117 -0.400 0.000 1.040 940 I CA -2.023 59.011 61.300 -0.444 0.000 1.094 940 I CB 2.016 39.551 38.000 -0.774 0.000 1.219 940 I HN -0.037 nan 8.210 nan 0.000 0.450 941 P HA 0.162 nan 4.420 nan 0.000 0.268 941 P C -2.402 174.829 177.300 -0.116 0.000 1.205 941 P CA -0.796 62.219 63.100 -0.140 0.000 0.771 941 P CB -0.176 31.469 31.700 -0.090 0.000 0.858 942 P HA 0.071 nan 4.420 nan 0.000 0.269 942 P C -0.350 176.933 177.300 -0.029 0.000 1.217 942 P CA 0.059 63.144 63.100 -0.024 0.000 0.783 942 P CB 0.286 31.977 31.700 -0.015 0.000 0.898 943 A N 1.497 124.306 122.820 -0.019 0.000 2.406 943 A HA 0.049 4.369 4.320 0.000 0.000 0.243 943 A C 1.390 178.930 177.584 -0.073 0.000 1.082 943 A CA 0.126 52.137 52.037 -0.043 0.000 0.786 943 A CB -0.222 18.745 19.000 -0.054 0.000 1.029 943 A HN 0.603 nan 8.150 nan 0.000 0.495 944 D N -0.128 120.224 120.400 -0.079 0.000 2.096 944 D HA -0.128 4.512 4.640 0.000 0.000 0.200 944 D C 0.947 177.165 176.300 -0.137 0.000 0.980 944 D CA 1.936 55.888 54.000 -0.081 0.000 0.860 944 D CB -0.348 40.422 40.800 -0.050 0.000 1.005 944 D HN 0.641 nan 8.370 nan 0.000 0.449 945 L N -0.098 120.983 121.223 -0.236 0.000 3.843 945 L HA -0.272 4.068 4.340 0.000 0.000 0.411 945 L C 1.552 178.323 176.870 -0.165 0.000 1.205 945 L CA 0.351 54.964 54.840 -0.378 0.000 0.945 945 L CB -2.425 39.388 42.059 -0.410 0.000 1.929 945 L HN 0.177 nan 8.230 nan 0.000 0.934 946 S N -0.481 115.171 115.700 -0.079 0.000 2.383 946 S HA -0.122 4.348 4.470 0.000 0.000 0.227 946 S C 1.156 175.761 174.600 0.008 0.000 1.026 946 S CA 1.097 59.281 58.200 -0.027 0.000 0.981 946 S CB -0.133 63.060 63.200 -0.010 0.000 0.818 946 S HN 0.682 nan 8.310 nan 0.000 0.472 947 D N 0.911 121.339 120.400 0.047 0.000 2.561 947 D HA 0.121 4.761 4.640 0.000 0.000 0.232 947 D C 0.239 176.635 176.300 0.161 0.000 1.198 947 D CA -0.375 53.681 54.000 0.093 0.000 0.826 947 D CB -0.695 40.167 40.800 0.104 0.000 0.992 947 D HN 0.586 nan 8.370 nan 0.000 0.490 948 Q N 0.637 120.512 119.800 0.125 0.000 2.332 948 Q HA 0.190 4.530 4.340 0.000 0.000 0.263 948 Q C -0.370 175.722 176.000 0.153 0.000 0.979 948 Q CA -0.558 55.365 55.803 0.201 0.000 0.885 948 Q CB 1.164 29.933 28.738 0.051 0.000 1.218 948 Q HN 0.013 nan 8.270 nan 0.000 0.405 949 V N 7.088 127.113 119.914 0.185 0.000 2.599 949 V HA 0.052 4.172 4.120 0.000 0.000 0.300 949 V C -1.998 174.136 176.094 0.068 0.000 1.034 949 V CA -0.988 61.377 62.300 0.108 0.000 1.115 949 V CB 0.417 32.299 31.823 0.099 0.000 0.934 949 V HN 0.845 nan 8.190 nan 0.000 0.485 950 P HA 0.051 nan 4.420 nan 0.000 0.265 950 P C 0.106 177.404 177.300 -0.002 0.000 1.193 950 P CA 0.473 63.580 63.100 0.012 0.000 0.765 950 P CB 0.144 31.845 31.700 0.001 0.000 0.823 951 D N 1.178 121.573 120.400 -0.009 0.000 2.760 951 D HA -0.133 4.507 4.640 0.000 0.000 0.244 951 D C -0.940 175.348 176.300 -0.019 0.000 1.123 951 D CA 1.365 55.352 54.000 -0.022 0.000 0.719 951 D CB -1.352 39.423 40.800 -0.041 0.000 1.045 951 D HN 0.470 nan 8.370 nan 0.000 0.426 952 T N -1.273 113.288 114.554 0.011 0.000 2.933 952 T HA 0.670 5.020 4.350 0.000 0.000 0.305 952 T C -0.062 174.685 174.700 0.078 0.000 1.092 952 T CA -0.913 61.206 62.100 0.031 0.000 1.008 952 T CB 2.053 70.959 68.868 0.062 0.000 1.102 952 T HN 0.165 nan 8.240 nan 0.000 0.469 953 E N 1.383 121.637 120.200 0.091 0.000 2.312 953 E HA 0.738 5.088 4.350 0.000 0.000 0.259 953 E C -0.430 176.261 176.600 0.151 0.000 1.122 953 E CA -0.832 55.625 56.400 0.095 0.000 0.922 953 E CB 0.867 30.606 29.700 0.065 0.000 1.109 953 E HN 0.974 nan 8.360 nan 0.000 0.442 954 S N -0.844 114.920 115.700 0.107 0.000 2.556 954 S HA 0.442 4.912 4.470 0.000 0.000 0.280 954 S C -1.155 173.485 174.600 0.065 0.000 1.141 954 S CA -1.119 57.150 58.200 0.114 0.000 0.883 954 S CB 0.744 64.030 63.200 0.142 0.000 1.103 954 S HN 0.766 nan 8.310 nan 0.000 0.453 955 E N 0.727 120.962 120.200 0.058 0.000 2.263 955 E HA 0.744 5.094 4.350 0.000 0.000 0.264 955 E C -1.237 175.382 176.600 0.031 0.000 0.923 955 E CA -1.032 55.387 56.400 0.032 0.000 0.802 955 E CB 1.865 31.577 29.700 0.020 0.000 1.228 955 E HN 0.456 nan 8.360 nan 0.000 0.417 956 T N 1.485 116.046 114.554 0.012 0.000 2.791 956 T HA 0.281 4.631 4.350 0.000 0.000 0.288 956 T C -0.502 174.187 174.700 -0.018 0.000 0.999 956 T CA -0.657 61.453 62.100 0.016 0.000 0.952 956 T CB 0.688 69.576 68.868 0.033 0.000 0.938 956 T HN 0.401 nan 8.240 nan 0.000 0.444 957 R N 4.809 125.307 120.500 -0.002 0.000 2.391 957 R HA 0.355 4.695 4.340 0.000 0.000 0.310 957 R C -0.266 176.019 176.300 -0.025 0.000 1.174 957 R CA -0.430 55.657 56.100 -0.022 0.000 1.118 957 R CB -0.211 30.084 30.300 -0.009 0.000 1.134 957 R HN 0.619 nan 8.270 nan 0.000 0.524 958 I N 4.859 125.385 120.570 -0.074 0.000 2.634 958 I HA 0.134 4.304 4.170 0.000 0.000 0.284 958 I C 0.080 176.160 176.117 -0.062 0.000 1.124 958 I CA -0.087 61.171 61.300 -0.070 0.000 1.417 958 I CB 0.852 38.732 38.000 -0.200 0.000 1.396 958 I HN 0.467 nan 8.210 nan 0.000 0.571 959 L N 6.960 128.163 121.223 -0.033 0.000 2.470 959 L HA 0.556 4.896 4.340 0.000 0.000 0.268 959 L C -1.095 175.747 176.870 -0.048 0.000 0.964 959 L CA -0.455 54.355 54.840 -0.050 0.000 0.839 959 L CB 1.949 43.990 42.059 -0.031 0.000 1.276 959 L HN 0.514 nan 8.230 nan 0.000 0.403 960 L N 3.757 124.928 121.223 -0.086 0.000 2.319 960 L HA 0.687 5.028 4.340 0.000 0.000 0.267 960 L C -0.801 176.030 176.870 -0.066 0.000 1.011 960 L CA -0.527 54.269 54.840 -0.073 0.000 0.818 960 L CB 2.059 44.052 42.059 -0.109 0.000 1.316 960 L HN 0.583 nan 8.230 nan 0.000 0.432 961 Q N 0.338 120.112 119.800 -0.043 0.000 2.518 961 Q HA 0.382 4.722 4.340 0.000 0.000 0.254 961 Q C -1.046 174.937 176.000 -0.028 0.000 0.962 961 Q CA -0.461 55.318 55.803 -0.040 0.000 0.982 961 Q CB 1.968 30.684 28.738 -0.037 0.000 1.516 961 Q HN 0.788 nan 8.270 nan 0.000 0.426 962 G N 0.679 109.459 108.800 -0.033 0.000 2.621 962 G HA2 0.519 4.479 3.960 0.000 0.000 0.271 962 G HA3 0.519 4.479 3.960 0.000 0.000 0.271 962 G C -0.702 174.180 174.900 -0.029 0.000 1.236 962 G CA 0.361 45.446 45.100 -0.025 0.000 0.958 962 G HN 0.447 nan 8.290 nan 0.000 0.512 963 T N 0.466 115.014 114.554 -0.010 0.000 4.111 963 T HA 0.430 4.780 4.350 0.000 0.000 0.346 963 T C -3.025 171.700 174.700 0.041 0.000 0.893 963 T CA -0.834 61.265 62.100 -0.003 0.000 1.011 963 T CB 1.512 70.384 68.868 0.007 0.000 1.094 963 T HN 0.289 nan 8.240 nan 0.000 0.467 964 P HA 0.350 nan 4.420 nan 0.000 0.267 964 P C 0.835 178.213 177.300 0.129 0.000 1.205 964 P CA 0.303 63.501 63.100 0.163 0.000 0.765 964 P CB 0.953 32.777 31.700 0.207 0.000 0.828 965 V N 0.783 120.780 119.914 0.139 0.000 1.333 965 V HA -0.291 3.829 4.120 0.000 0.000 0.084 965 V C 0.706 176.937 176.094 0.228 0.000 2.194 965 V CA 1.773 64.177 62.300 0.174 0.000 3.006 965 V CB -1.858 30.074 31.823 0.181 0.000 1.399 965 V HN 0.807 nan 8.190 nan 0.000 1.053 966 A N 0.528 123.509 122.820 0.267 0.000 2.269 966 A HA 0.746 5.066 4.320 0.000 0.000 0.302 966 A C -0.009 177.668 177.584 0.155 0.000 1.266 966 A CA 0.203 52.398 52.037 0.263 0.000 0.894 966 A CB 0.761 20.007 19.000 0.409 0.000 1.147 966 A HN 0.624 nan 8.150 nan 0.000 0.537 967 Q N 1.397 121.257 119.800 0.100 0.000 2.943 967 Q HA 0.650 4.990 4.340 0.000 0.000 0.341 967 Q C -0.254 175.776 176.000 0.050 0.000 0.858 967 Q CA -1.173 54.676 55.803 0.077 0.000 0.804 967 Q CB 0.707 29.494 28.738 0.080 0.000 1.399 967 Q HN 0.657 nan 8.270 nan 0.000 0.511 968 M N -1.666 117.974 119.600 0.067 0.000 7.319 968 M HA -0.214 4.266 4.480 0.000 0.000 0.294 968 M C -0.285 176.066 176.300 0.085 0.000 0.480 968 M CA 1.964 57.315 55.300 0.085 0.000 1.311 968 M CB -3.071 29.577 32.600 0.080 0.000 0.421 968 M HN 0.892 nan 8.290 nan 0.000 0.557 969 T N 2.705 117.303 114.554 0.072 0.000 1.048 969 T HA -0.093 4.257 4.350 0.000 0.000 0.714 969 T C 0.031 174.813 174.700 0.137 0.000 0.982 969 T CA 1.123 63.260 62.100 0.063 0.000 3.779 969 T CB -0.661 68.203 68.868 -0.007 0.000 2.136 969 T HN 0.422 nan 8.240 nan 0.000 0.373 970 E N 2.033 122.388 120.200 0.259 0.000 2.250 970 E HA 0.340 4.690 4.350 0.000 0.000 0.265 970 E C 0.284 176.994 176.600 0.182 0.000 1.033 970 E CA -0.822 55.701 56.400 0.205 0.000 0.888 970 E CB 0.782 30.592 29.700 0.182 0.000 1.151 970 E HN 0.518 nan 8.360 nan 0.000 0.412 971 D N 0.226 120.701 120.400 0.125 0.000 2.339 971 D HA 0.356 4.996 4.640 0.000 0.000 0.245 971 D C -0.310 176.075 176.300 0.141 0.000 1.115 971 D CA -0.121 53.945 54.000 0.111 0.000 0.917 971 D CB 0.894 41.745 40.800 0.084 0.000 1.192 971 D HN 0.388 nan 8.370 nan 0.000 0.428 972 A N 0.957 123.863 122.820 0.143 0.000 2.295 972 A HA 0.454 4.774 4.320 0.000 0.000 0.318 972 A C -0.142 177.583 177.584 0.234 0.000 1.134 972 A CA -0.726 51.439 52.037 0.213 0.000 0.827 972 A CB 0.705 19.794 19.000 0.148 0.000 1.136 972 A HN 0.364 nan 8.150 nan 0.000 0.493 973 V N 2.814 122.930 119.914 0.337 0.000 2.540 973 V HA -0.006 4.114 4.120 0.000 0.000 0.297 973 V C -0.011 176.249 176.094 0.277 0.000 1.024 973 V CA -0.039 62.437 62.300 0.293 0.000 1.105 973 V CB -0.054 31.937 31.823 0.280 0.000 0.938 973 V HN 0.840 nan 8.190 nan 0.000 0.482 974 D N 3.881 124.390 120.400 0.181 0.000 2.488 974 D HA 0.157 4.797 4.640 0.000 0.000 0.238 974 D C 0.996 177.352 176.300 0.094 0.000 1.138 974 D CA 0.603 54.669 54.000 0.110 0.000 0.873 974 D CB 1.244 42.081 40.800 0.060 0.000 1.183 974 D HN 0.644 nan 8.370 nan 0.000 0.458 975 A N 2.778 125.647 122.820 0.083 0.000 2.067 975 A HA -0.183 4.137 4.320 0.000 0.000 0.219 975 A C 1.822 179.492 177.584 0.143 0.000 1.158 975 A CA 1.138 53.235 52.037 0.100 0.000 0.661 975 A CB -0.433 18.606 19.000 0.065 0.000 0.801 975 A HN 0.707 nan 8.150 nan 0.000 0.452 976 E N -0.408 119.814 120.200 0.037 0.000 2.338 976 E HA -0.140 4.210 4.350 0.000 0.000 0.197 976 E C 1.426 177.962 176.600 -0.105 0.000 1.007 976 E CA 0.418 56.788 56.400 -0.050 0.000 0.849 976 E CB 0.041 29.708 29.700 -0.055 0.000 0.774 976 E HN 0.344 nan 8.360 nan 0.000 0.506 977 R N -0.208 120.199 120.500 -0.153 0.000 2.317 977 R HA 0.128 4.468 4.340 0.000 0.000 0.208 977 R C 0.917 177.066 176.300 -0.252 0.000 0.914 977 R CA 0.218 56.084 56.100 -0.390 0.000 1.060 977 R CB 0.353 30.137 30.300 -0.860 0.000 1.015 977 R HN 0.255 nan 8.270 nan 0.000 0.498 978 L N 0.262 121.421 121.223 -0.107 0.000 3.066 978 L HA 0.273 4.613 4.340 0.000 0.000 0.265 978 L C 0.641 177.485 176.870 -0.043 0.000 1.232 978 L CA -0.033 54.690 54.840 -0.196 0.000 1.031 978 L CB 0.344 42.280 42.059 -0.206 0.000 1.379 978 L HN -0.189 nan 8.230 nan 0.000 0.563 979 K N 0.367 120.772 120.400 0.007 0.000 2.589 979 K HA -0.002 4.318 4.320 0.000 0.000 0.204 979 K C 0.841 177.473 176.600 0.053 0.000 1.029 979 K CA 0.293 56.572 56.287 -0.014 0.000 1.177 979 K CB -0.087 32.295 32.500 -0.196 0.000 0.902 979 K HN 0.543 nan 8.250 nan 0.000 0.501 980 H N -3.827 115.257 119.070 0.024 0.000 3.535 980 H HA 0.196 4.752 4.556 0.000 0.000 0.260 980 H C 1.049 176.389 175.328 0.020 0.000 1.173 980 H CA -0.392 55.664 56.048 0.013 0.000 1.168 980 H CB -0.089 29.669 29.762 -0.008 0.000 1.568 980 H HN -0.013 nan 8.280 nan 0.000 0.602 981 L N 1.282 122.296 121.223 -0.349 0.000 2.599 981 L HA 0.181 4.521 4.340 0.000 0.000 0.230 981 L C -0.041 176.787 176.870 -0.071 0.000 1.141 981 L CA 0.020 54.717 54.840 -0.237 0.000 0.877 981 L CB 0.133 41.950 42.059 -0.403 0.000 1.009 981 L HN 0.339 nan 8.230 nan 0.000 0.447 982 I N 1.449 122.024 120.570 0.009 0.000 2.206 982 I HA 0.138 4.308 4.170 0.000 0.000 0.292 982 I C 0.022 176.179 176.117 0.065 0.000 1.156 982 I CA 0.061 61.398 61.300 0.062 0.000 1.356 982 I CB 0.047 38.129 38.000 0.137 0.000 1.494 982 I HN -0.214 nan 8.210 nan 0.000 0.601 983 V N 3.918 123.865 119.914 0.054 0.000 2.472 983 V HA 0.286 4.406 4.120 0.000 0.000 0.290 983 V C 0.743 176.870 176.094 0.054 0.000 1.037 983 V CA -0.582 61.752 62.300 0.058 0.000 0.908 983 V CB 1.845 33.703 31.823 0.059 0.000 0.985 983 V HN 0.569 nan 8.190 nan 0.000 0.454 984 T N 7.381 121.967 114.554 0.053 0.000 2.769 984 T HA 0.201 4.551 4.350 0.000 0.000 0.293 984 T C -2.344 172.386 174.700 0.050 0.000 0.931 984 T CA -0.605 61.526 62.100 0.051 0.000 1.139 984 T CB 0.476 69.373 68.868 0.050 0.000 0.881 984 T HN 0.471 nan 8.240 nan 0.000 0.532 985 P HA 0.166 nan 4.420 nan 0.000 0.262 985 P C -0.511 176.821 177.300 0.054 0.000 1.182 985 P CA 0.065 63.195 63.100 0.050 0.000 0.761 985 P CB 0.393 32.128 31.700 0.059 0.000 0.795 986 S N 1.312 117.037 115.700 0.042 0.000 2.578 986 S HA 0.829 5.299 4.470 0.000 0.000 0.272 986 S C -0.335 174.280 174.600 0.026 0.000 1.145 986 S CA -0.145 58.086 58.200 0.052 0.000 0.835 986 S CB 1.518 64.752 63.200 0.056 0.000 1.104 986 S HN 0.884 nan 8.310 nan 0.000 0.458 987 G N -0.108 108.724 108.800 0.052 0.000 2.362 987 G HA2 0.208 4.168 3.960 0.000 0.000 0.517 987 G HA3 0.208 4.168 3.960 0.000 0.000 0.517 987 G C 0.349 175.242 174.900 -0.013 0.000 1.256 987 G CA -0.016 45.096 45.100 0.021 0.000 1.027 987 G HN 2.173 nan 8.290 nan 0.000 0.491 988 C N -0.863 118.351 119.300 -0.144 0.000 2.310 988 C HA 0.751 5.211 4.460 0.000 0.000 0.279 988 C C 2.659 176.886 174.990 -1.271 0.000 2.750 988 C CA 1.066 59.810 59.018 -0.455 0.000 1.792 988 C CB -0.139 27.336 27.740 -0.441 0.000 1.957 988 C HN 2.191 nan 8.230 nan 0.000 0.463 989 G N -0.459 107.382 108.800 -1.599 0.000 2.534 989 G HA2 0.020 3.980 3.960 0.000 0.000 0.217 989 G HA3 0.020 3.980 3.960 0.000 0.000 0.217 989 G C 1.403 175.948 174.900 -0.592 0.000 1.128 989 G CA 0.791 45.108 45.100 -1.305 0.000 0.784 989 G HN 0.889 nan 8.290 nan 0.000 0.542 990 E N -0.294 119.619 120.200 -0.479 0.000 2.256 990 E HA 0.066 4.416 4.350 0.000 0.000 0.198 990 E C 2.125 178.519 176.600 -0.343 0.000 0.908 990 E CA 0.003 56.227 56.400 -0.292 0.000 0.915 990 E CB 0.181 29.793 29.700 -0.146 0.000 0.890 990 E HN 0.377 nan 8.360 nan 0.000 0.484 991 E N 1.279 121.249 120.200 -0.383 0.000 2.150 991 E HA -0.170 4.180 4.350 0.000 0.000 0.193 991 E C 1.829 178.310 176.600 -0.197 0.000 0.985 991 E CA 0.681 56.880 56.400 -0.336 0.000 0.814 991 E CB 0.011 29.580 29.700 -0.218 0.000 0.752 991 E HN 0.049 nan 8.360 nan 0.000 0.466 992 N N 0.687 119.269 118.700 -0.198 0.000 2.084 992 N HA -0.167 4.574 4.740 0.000 0.000 0.190 992 N C 1.625 177.109 175.510 -0.044 0.000 1.030 992 N CA 1.387 54.381 53.050 -0.093 0.000 0.849 992 N CB 0.023 38.457 38.487 -0.090 0.000 1.012 992 N HN 0.045 nan 8.380 nan 0.000 0.423 993 M N 0.223 119.785 119.600 -0.063 0.000 2.175 993 M HA -0.008 4.472 4.480 0.000 0.000 0.264 993 M C 2.100 178.418 176.300 0.030 0.000 1.063 993 M CA 0.792 56.109 55.300 0.028 0.000 1.119 993 M CB -0.884 31.751 32.600 0.059 0.000 1.377 993 M HN 0.209 nan 8.290 nan 0.000 0.415 994 I N -0.416 120.115 120.570 -0.065 0.000 2.361 994 I HA -0.181 3.989 4.170 0.000 0.000 0.251 994 I C 2.324 178.435 176.117 -0.010 0.000 1.133 994 I CA 1.356 62.615 61.300 -0.068 0.000 1.413 994 I CB -0.826 37.066 38.000 -0.179 0.000 1.073 994 I HN 0.326 nan 8.210 nan 0.000 0.424 995 G N -0.203 108.591 108.800 -0.010 0.000 2.777 995 G HA2 -0.060 3.900 3.960 0.000 0.000 0.211 995 G HA3 -0.060 3.900 3.960 0.000 0.000 0.211 995 G C 1.596 176.522 174.900 0.044 0.000 1.149 995 G CA -0.120 44.992 45.100 0.021 0.000 0.785 995 G HN 0.252 nan 8.290 nan 0.000 0.536 996 M N 0.240 119.872 119.600 0.053 0.000 2.486 996 M HA 0.077 4.557 4.480 0.000 0.000 0.264 996 M C 2.341 178.695 176.300 0.089 0.000 1.125 996 M CA 0.917 56.257 55.300 0.067 0.000 1.144 996 M CB 0.046 32.690 32.600 0.073 0.000 1.353 996 M HN 0.104 nan 8.290 nan 0.000 0.466 997 T N 2.222 116.845 114.554 0.116 0.000 2.652 997 T HA -0.063 4.287 4.350 0.000 0.000 0.267 997 T C -0.988 173.817 174.700 0.175 0.000 1.039 997 T CA 1.673 63.881 62.100 0.179 0.000 1.153 997 T CB -1.546 67.459 68.868 0.228 0.000 0.863 997 T HN 0.376 nan 8.240 nan 0.000 0.428 998 P HA -0.058 nan 4.420 nan 0.000 0.219 998 P C 1.289 178.582 177.300 -0.011 0.000 1.146 998 P CA 1.292 64.421 63.100 0.049 0.000 0.808 998 P CB -0.265 31.462 31.700 0.045 0.000 0.779 999 T N -0.469 114.101 114.554 0.026 0.000 2.852 999 T HA -0.008 4.342 4.350 0.000 0.000 0.256 999 T C 2.006 176.721 174.700 0.027 0.000 1.038 999 T CA 0.784 62.892 62.100 0.014 0.000 1.141 999 T CB -0.811 68.079 68.868 0.038 0.000 0.869 999 T HN -0.133 nan 8.240 nan 0.000 0.439 1000 V N 1.646 121.600 119.914 0.066 0.000 2.255 1000 V HA -0.123 3.997 4.120 0.000 0.000 0.247 1000 V C 2.373 178.522 176.094 0.092 0.000 1.051 1000 V CA 1.418 63.771 62.300 0.088 0.000 1.018 1000 V CB -0.542 31.356 31.823 0.125 0.000 0.641 1000 V HN 0.358 nan 8.190 nan 0.000 0.445 1001 I N 0.375 121.003 120.570 0.097 0.000 2.493 1001 I HA -0.105 4.065 4.170 0.000 0.000 0.254 1001 I C 2.269 178.347 176.117 -0.065 0.000 1.160 1001 I CA 1.374 62.673 61.300 -0.001 0.000 1.445 1001 I CB -0.623 37.361 38.000 -0.026 0.000 1.086 1001 I HN 0.181 nan 8.210 nan 0.000 0.433 1002 A N -0.385 122.338 122.820 -0.161 0.000 1.855 1002 A HA -0.136 4.184 4.320 0.000 0.000 0.215 1002 A C 2.344 179.813 177.584 -0.191 0.000 1.191 1002 A CA 2.063 53.917 52.037 -0.305 0.000 0.613 1002 A CB -1.211 17.594 19.000 -0.324 0.000 0.829 1002 A HN 0.255 nan 8.150 nan 0.000 0.442 1003 V N -0.177 119.710 119.914 -0.044 0.000 2.407 1003 V HA -0.295 3.825 4.120 0.000 0.000 0.248 1003 V C 2.467 178.636 176.094 0.126 0.000 1.055 1003 V CA 2.543 64.919 62.300 0.127 0.000 1.049 1003 V CB -1.132 30.825 31.823 0.223 0.000 0.662 1003 V HN 0.859 nan 8.190 nan 0.000 0.455 1004 H N -0.867 118.212 119.070 0.015 0.000 2.353 1004 H HA -0.256 4.301 4.556 0.000 0.000 0.300 1004 H C 2.112 177.447 175.328 0.013 0.000 1.090 1004 H CA 2.330 58.386 56.048 0.013 0.000 1.327 1004 H CB -0.263 29.490 29.762 -0.015 0.000 1.383 1004 H HN 0.507 nan 8.280 nan 0.000 0.508 1005 Y N 0.244 120.502 120.300 -0.070 0.000 2.314 1005 Y HA -0.043 4.507 4.550 0.000 0.000 0.293 1005 Y C 1.871 177.649 175.900 -0.202 0.000 1.129 1005 Y CA 1.151 59.190 58.100 -0.101 0.000 1.201 1005 Y CB -0.000 38.453 38.460 -0.011 0.000 0.999 1005 Y HN 0.219 nan 8.280 nan 0.000 0.541 1006 L N -0.498 120.571 121.223 -0.256 0.000 2.313 1006 L HA -0.107 4.234 4.340 0.000 0.000 0.214 1006 L C 1.501 178.202 176.870 -0.283 0.000 1.119 1006 L CA 0.824 55.340 54.840 -0.541 0.000 0.809 1006 L CB -0.360 40.920 42.059 -1.299 0.000 0.933 1006 L HN 0.105 nan 8.230 nan 0.000 0.449 1007 D N -0.164 120.202 120.400 -0.058 0.000 2.194 1007 D HA -0.118 4.522 4.640 0.000 0.000 0.204 1007 D C 2.138 178.366 176.300 -0.120 0.000 0.964 1007 D CA 0.826 54.848 54.000 0.036 0.000 0.846 1007 D CB 0.163 40.971 40.800 0.013 0.000 0.962 1007 D HN 0.245 nan 8.370 nan 0.000 0.490 1008 E N -0.171 119.871 120.200 -0.264 0.000 2.140 1008 E HA -0.033 4.317 4.350 0.000 0.000 0.191 1008 E C 2.091 178.529 176.600 -0.270 0.000 0.973 1008 E CA 0.971 57.207 56.400 -0.273 0.000 0.829 1008 E CB -0.325 29.174 29.700 -0.335 0.000 0.781 1008 E HN 0.391 nan 8.360 nan 0.000 0.466 1009 T N -0.874 113.453 114.554 -0.379 0.000 3.088 1009 T HA -0.009 4.341 4.350 0.000 0.000 0.259 1009 T C 0.448 175.038 174.700 -0.183 0.000 1.122 1009 T CA 0.142 62.047 62.100 -0.325 0.000 1.095 1009 T CB 0.054 68.635 68.868 -0.479 0.000 0.930 1009 T HN -0.059 nan 8.240 nan 0.000 0.508 1010 E N 0.941 121.056 120.200 -0.142 0.000 2.389 1010 E HA -0.208 4.142 4.350 0.000 0.000 0.243 1010 E C -0.138 176.448 176.600 -0.024 0.000 1.154 1010 E CA 0.560 56.946 56.400 -0.023 0.000 0.723 1010 E CB -2.295 27.398 29.700 -0.011 0.000 1.261 1010 E HN 0.778 nan 8.360 nan 0.000 0.390 1011 Q N -1.338 118.379 119.800 -0.139 0.000 2.211 1011 Q HA 0.094 4.434 4.340 0.000 0.000 0.231 1011 Q C 0.857 176.791 176.000 -0.109 0.000 0.865 1011 Q CA -0.259 55.480 55.803 -0.107 0.000 0.997 1011 Q CB -0.091 28.576 28.738 -0.118 0.000 1.101 1011 Q HN 0.394 nan 8.270 nan 0.000 0.468 1012 W N 0.914 122.209 121.300 -0.009 0.000 2.961 1012 W HA -0.025 4.635 4.660 0.000 0.000 0.240 1012 W C 1.360 177.933 176.519 0.089 0.000 1.305 1012 W CA 0.364 57.725 57.345 0.026 0.000 1.465 1012 W CB 0.432 29.875 29.460 -0.028 0.000 1.135 1012 W HN 0.339 nan 8.180 nan 0.000 0.688 1013 E N 0.468 120.806 120.200 0.230 0.000 2.021 1013 E HA -0.143 4.207 4.350 0.000 0.000 0.189 1013 E C 2.042 178.725 176.600 0.139 0.000 0.980 1013 E CA 0.826 57.322 56.400 0.160 0.000 0.803 1013 E CB -0.201 29.559 29.700 0.100 0.000 0.766 1013 E HN 0.026 nan 8.360 nan 0.000 0.449 1014 K N 0.553 121.021 120.400 0.113 0.000 2.366 1014 K HA -0.041 4.279 4.320 0.000 0.000 0.198 1014 K C 1.782 178.437 176.600 0.092 0.000 1.044 1014 K CA 0.473 56.807 56.287 0.079 0.000 0.973 1014 K CB -0.296 32.236 32.500 0.053 0.000 0.767 1014 K HN 0.118 nan 8.250 nan 0.000 0.475 1015 F N 1.067 121.012 119.950 -0.009 0.000 2.234 1015 F HA -0.069 4.458 4.527 0.000 0.000 0.299 1015 F C 1.422 177.244 175.800 0.038 0.000 1.087 1015 F CA 1.739 59.723 58.000 -0.026 0.000 1.340 1015 F CB 0.305 39.240 39.000 -0.108 0.000 1.031 1015 F HN 0.238 nan 8.300 nan 0.000 0.500 1016 G N -0.208 108.687 108.800 0.158 0.000 3.134 1016 G HA2 -0.033 3.927 3.960 0.000 0.000 0.195 1016 G HA3 -0.033 3.927 3.960 0.000 0.000 0.195 1016 G C -0.024 174.990 174.900 0.189 0.000 1.054 1016 G CA -0.359 44.788 45.100 0.079 0.000 0.828 1016 G HN 0.669 nan 8.290 nan 0.000 0.462 1017 L N -0.827 120.621 121.223 0.375 0.000 0.585 1017 L HA 0.034 4.374 4.340 0.000 0.000 0.356 1017 L C 0.913 177.879 176.870 0.160 0.000 0.995 1017 L CA 2.458 57.469 54.840 0.285 0.000 1.223 1017 L CB -0.728 41.438 42.059 0.179 0.000 0.010 1017 L HN 2.040 nan 8.230 nan 0.000 0.091 1018 E N 0.104 120.338 120.200 0.058 0.000 4.067 1018 E HA -0.308 4.042 4.350 0.000 0.000 0.346 1018 E C 0.830 177.444 176.600 0.024 0.000 0.613 1018 E CA 2.319 58.723 56.400 0.008 0.000 1.252 1018 E CB -1.078 28.635 29.700 0.020 0.000 1.731 1018 E HN 0.731 nan 8.360 nan 0.000 0.406 1019 K N -0.068 120.404 120.400 0.119 0.000 2.444 1019 K HA 0.141 4.461 4.320 0.000 0.000 0.193 1019 K C 1.891 178.569 176.600 0.130 0.000 1.024 1019 K CA 0.542 56.930 56.287 0.169 0.000 1.077 1019 K CB 0.113 32.797 32.500 0.306 0.000 0.833 1019 K HN 0.175 nan 8.250 nan 0.000 0.517 1020 R N 1.410 121.852 120.500 -0.096 0.000 2.073 1020 R HA -0.168 4.172 4.340 0.000 0.000 0.229 1020 R C 2.248 178.400 176.300 -0.246 0.000 1.120 1020 R CA 1.402 57.235 56.100 -0.445 0.000 0.967 1020 R CB 0.083 29.616 30.300 -1.277 0.000 0.862 1020 R HN 0.018 nan 8.270 nan 0.000 0.436 1021 Q N 0.079 119.767 119.800 -0.187 0.000 2.112 1021 Q HA -0.105 4.235 4.340 0.000 0.000 0.206 1021 Q C 1.760 177.724 176.000 -0.060 0.000 0.987 1021 Q CA 2.262 57.992 55.803 -0.121 0.000 0.858 1021 Q CB -0.743 27.940 28.738 -0.093 0.000 0.905 1021 Q HN 0.475 nan 8.270 nan 0.000 0.420 1022 G N -0.671 108.116 108.800 -0.021 0.000 2.471 1022 G HA2 -0.080 3.880 3.960 0.000 0.000 0.219 1022 G HA3 -0.080 3.880 3.960 0.000 0.000 0.219 1022 G C 1.375 176.292 174.900 0.027 0.000 1.125 1022 G CA 0.701 45.809 45.100 0.013 0.000 0.775 1022 G HN 0.510 nan 8.290 nan 0.000 0.548 1023 A N 0.507 123.346 122.820 0.032 0.000 1.930 1023 A HA 0.240 4.560 4.320 0.000 0.000 0.215 1023 A C 2.270 179.863 177.584 0.016 0.000 1.176 1023 A CA 0.654 52.724 52.037 0.054 0.000 0.632 1023 A CB -0.229 18.841 19.000 0.117 0.000 0.819 1023 A HN 0.263 nan 8.150 nan 0.000 0.445 1024 L N 0.229 121.436 121.223 -0.027 0.000 2.083 1024 L HA -0.154 4.186 4.340 0.000 0.000 0.209 1024 L C 2.296 179.150 176.870 -0.028 0.000 1.083 1024 L CA 1.867 56.681 54.840 -0.043 0.000 0.752 1024 L CB -1.475 40.537 42.059 -0.079 0.000 0.899 1024 L HN 0.545 nan 8.230 nan 0.000 0.433 1025 E N -0.283 119.907 120.200 -0.016 0.000 2.153 1025 E HA -0.190 4.160 4.350 0.000 0.000 0.194 1025 E C 2.335 178.943 176.600 0.015 0.000 0.988 1025 E CA 0.690 57.089 56.400 -0.002 0.000 0.811 1025 E CB -0.017 29.684 29.700 0.002 0.000 0.746 1025 E HN 0.465 nan 8.360 nan 0.000 0.466 1026 L N 0.534 121.770 121.223 0.021 0.000 2.109 1026 L HA -0.122 4.218 4.340 0.000 0.000 0.207 1026 L C 2.377 179.266 176.870 0.032 0.000 1.086 1026 L CA 0.775 55.636 54.840 0.034 0.000 0.760 1026 L CB -0.314 41.770 42.059 0.042 0.000 0.910 1026 L HN 0.152 nan 8.230 nan 0.000 0.437 1027 I N -0.142 120.437 120.570 0.015 0.000 2.252 1027 I HA -0.252 3.918 4.170 0.000 0.000 0.245 1027 I C 2.454 178.572 176.117 0.000 0.000 1.102 1027 I CA 1.301 62.599 61.300 -0.003 0.000 1.385 1027 I CB -0.293 37.688 38.000 -0.031 0.000 1.064 1027 I HN 0.207 nan 8.210 nan 0.000 0.414 1028 K N 0.985 121.383 120.400 -0.003 0.000 2.057 1028 K HA -0.208 4.112 4.320 0.000 0.000 0.206 1028 K C 2.178 178.842 176.600 0.107 0.000 1.050 1028 K CA 1.248 57.552 56.287 0.028 0.000 0.935 1028 K CB -0.151 32.348 32.500 -0.000 0.000 0.715 1028 K HN 0.203 nan 8.250 nan 0.000 0.439 1029 K N 0.727 121.171 120.400 0.073 0.000 2.057 1029 K HA -0.115 4.205 4.320 0.000 0.000 0.206 1029 K C 2.195 178.850 176.600 0.093 0.000 1.050 1029 K CA 1.539 57.873 56.287 0.078 0.000 0.935 1029 K CB -0.248 32.287 32.500 0.058 0.000 0.715 1029 K HN 0.209 nan 8.250 nan 0.000 0.439 1030 G N -0.063 108.789 108.800 0.088 0.000 2.432 1030 G HA2 -0.297 3.663 3.960 0.000 0.000 0.219 1030 G HA3 -0.297 3.663 3.960 0.000 0.000 0.219 1030 G C 1.371 176.342 174.900 0.118 0.000 1.135 1030 G CA 0.891 46.047 45.100 0.094 0.000 0.767 1030 G HN 0.484 nan 8.290 nan 0.000 0.550 1031 Y N 1.920 122.198 120.300 -0.037 0.000 2.181 1031 Y HA -0.122 4.428 4.550 0.000 0.000 0.288 1031 Y C 2.943 178.886 175.900 0.071 0.000 1.146 1031 Y CA 2.205 60.255 58.100 -0.083 0.000 1.164 1031 Y CB -0.410 37.907 38.460 -0.237 0.000 0.982 1031 Y HN 0.168 nan 8.280 nan 0.000 0.515 1032 T N 0.728 115.293 114.554 0.019 0.000 2.777 1032 T HA -0.205 4.145 4.350 0.000 0.000 0.266 1032 T C 1.699 176.390 174.700 -0.015 0.000 1.040 1032 T CA 1.821 63.894 62.100 -0.045 0.000 1.141 1032 T CB -0.248 68.658 68.868 0.064 0.000 0.868 1032 T HN 0.482 nan 8.240 nan 0.000 0.444 1033 Q N 0.531 120.372 119.800 0.068 0.000 2.084 1033 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 1033 Q C 2.472 178.638 176.000 0.276 0.000 0.978 1033 Q CA 1.293 57.184 55.803 0.146 0.000 0.844 1033 Q CB -0.216 28.637 28.738 0.191 0.000 0.898 1033 Q HN 0.357 nan 8.270 nan 0.000 0.426 1034 Q N 0.978 120.931 119.800 0.256 0.000 2.226 1034 Q HA -0.091 4.249 4.340 0.000 0.000 0.204 1034 Q C 1.720 177.955 176.000 0.392 0.000 0.975 1034 Q CA 1.156 57.177 55.803 0.363 0.000 0.866 1034 Q CB -0.093 28.809 28.738 0.274 0.000 0.915 1034 Q HN 0.400 nan 8.270 nan 0.000 0.440 1035 L N -0.579 120.737 121.223 0.155 0.000 2.275 1035 L HA -0.047 4.293 4.340 0.000 0.000 0.215 1035 L C 2.167 179.043 176.870 0.011 0.000 1.119 1035 L CA 0.753 55.636 54.840 0.072 0.000 0.790 1035 L CB -0.622 41.374 42.059 -0.104 0.000 0.919 1035 L HN 0.249 nan 8.230 nan 0.000 0.443 1036 A N -0.357 122.436 122.820 -0.045 0.000 2.067 1036 A HA -0.086 4.234 4.320 0.000 0.000 0.219 1036 A C 1.551 178.906 177.584 -0.382 0.000 1.158 1036 A CA 1.035 52.914 52.037 -0.263 0.000 0.661 1036 A CB -0.487 18.261 19.000 -0.420 0.000 0.801 1036 A HN 0.399 nan 8.150 nan 0.000 0.452 1037 F N -0.494 119.476 119.950 0.034 0.000 2.641 1037 F HA 0.274 4.801 4.527 0.000 0.000 0.302 1037 F C 0.978 176.738 175.800 -0.068 0.000 1.098 1037 F CA -0.258 57.758 58.000 0.026 0.000 1.318 1037 F CB 0.177 39.218 39.000 0.068 0.000 1.035 1037 F HN 0.014 nan 8.300 nan 0.000 0.551 1038 R N 2.087 122.545 120.500 -0.069 0.000 2.216 1038 R HA 0.200 4.540 4.340 0.000 0.000 0.332 1038 R C -0.075 176.027 176.300 -0.330 0.000 1.056 1038 R CA -0.168 55.663 56.100 -0.448 0.000 0.901 1038 R CB 0.485 30.512 30.300 -0.455 0.000 1.039 1038 R HN 0.308 nan 8.270 nan 0.000 0.456 1039 Q N 4.628 124.198 119.800 -0.382 0.000 2.368 1039 Q HA 0.128 4.468 4.340 0.000 0.000 0.237 1039 Q C -1.651 174.197 176.000 -0.253 0.000 0.987 1039 Q CA -1.843 53.806 55.803 -0.257 0.000 0.896 1039 Q CB 0.858 29.451 28.738 -0.241 0.000 1.241 1039 Q HN 0.482 nan 8.270 nan 0.000 0.485 1040 P HA -0.166 nan 4.420 nan 0.000 0.221 1040 P C 0.698 177.924 177.300 -0.123 0.000 1.145 1040 P CA 1.271 64.301 63.100 -0.118 0.000 0.795 1040 P CB 0.140 31.799 31.700 -0.068 0.000 0.775 1041 S N -2.627 112.970 115.700 -0.172 0.000 2.701 1041 S HA 0.115 4.585 4.470 0.000 0.000 0.220 1041 S C 0.934 175.352 174.600 -0.302 0.000 0.954 1041 S CA 0.287 58.390 58.200 -0.161 0.000 0.936 1041 S CB -1.028 62.087 63.200 -0.143 0.000 0.777 1041 S HN 0.007 nan 8.310 nan 0.000 0.518 1042 S N -0.563 114.945 115.700 -0.320 0.000 3.146 1042 S HA -0.175 4.295 4.470 0.000 0.000 0.285 1042 S C 0.562 174.815 174.600 -0.578 0.000 1.293 1042 S CA 0.776 58.770 58.200 -0.343 0.000 1.137 1042 S CB -2.142 60.987 63.200 -0.117 0.000 1.357 1042 S HN 1.261 nan 8.310 nan 0.000 0.678 1043 A N -0.287 122.018 122.820 -0.859 0.000 2.247 1043 A HA 0.882 5.202 4.320 0.000 0.000 0.313 1043 A C -0.296 176.749 177.584 -0.898 0.000 1.109 1043 A CA -0.347 51.063 52.037 -1.045 0.000 0.890 1043 A CB 0.570 18.437 19.000 -1.889 0.000 1.239 1043 A HN 0.256 nan 8.150 nan 0.000 0.506 1044 F N -1.645 118.068 119.950 -0.394 0.000 2.593 1044 F HA 0.760 5.287 4.527 0.000 0.000 0.320 1044 F C 0.502 176.222 175.800 -0.133 0.000 1.060 1044 F CA 0.284 58.164 58.000 -0.199 0.000 0.940 1044 F CB 2.445 41.348 39.000 -0.161 0.000 1.268 1044 F HN 0.871 nan 8.300 nan 0.000 0.475 1045 A N 0.234 123.127 122.820 0.123 0.000 2.564 1045 A HA 0.692 5.012 4.320 0.000 0.000 0.291 1045 A C 0.122 177.684 177.584 -0.037 0.000 1.102 1045 A CA -0.168 51.904 52.037 0.059 0.000 0.660 1045 A CB 0.361 19.398 19.000 0.061 0.000 1.283 1045 A HN 1.045 nan 8.150 nan 0.000 0.430 1046 A N -0.587 122.158 122.820 -0.126 0.000 1.940 1046 A HA 0.382 4.702 4.320 0.000 0.000 0.219 1046 A C 0.404 177.481 177.584 -0.845 0.000 1.176 1046 A CA 1.864 53.598 52.037 -0.505 0.000 0.631 1046 A CB -0.525 18.217 19.000 -0.430 0.000 0.814 1046 A HN 0.991 nan 8.150 nan 0.000 0.446 1047 F N -3.698 116.337 119.950 0.142 0.000 2.664 1047 F HA 0.399 4.926 4.527 0.000 0.000 0.317 1047 F C 0.898 176.799 175.800 0.168 0.000 1.108 1047 F CA -0.433 57.702 58.000 0.225 0.000 0.957 1047 F CB 1.657 40.747 39.000 0.150 0.000 1.365 1047 F HN -0.125 nan 8.300 nan 0.000 0.475 1048 V N -1.561 118.559 119.914 0.343 0.000 3.444 1048 V HA 0.017 4.137 4.120 0.000 0.000 0.271 1048 V C 0.914 177.079 176.094 0.118 0.000 1.188 1048 V CA 1.358 63.750 62.300 0.154 0.000 1.168 1048 V CB -1.094 30.771 31.823 0.070 0.000 0.810 1048 V HN 0.832 nan 8.190 nan 0.000 0.500 1049 K N 0.331 120.832 120.400 0.169 0.000 2.329 1049 K HA 0.240 4.560 4.320 0.000 0.000 0.198 1049 K C 1.280 177.950 176.600 0.116 0.000 1.085 1049 K CA -0.387 55.963 56.287 0.104 0.000 0.961 1049 K CB 0.294 32.831 32.500 0.062 0.000 0.971 1049 K HN 0.387 nan 8.250 nan 0.000 0.502 1050 R N 1.866 122.480 120.500 0.190 0.000 2.643 1050 R HA 0.180 4.520 4.340 0.000 0.000 0.270 1050 R C -0.481 175.894 176.300 0.124 0.000 1.061 1050 R CA -0.012 56.193 56.100 0.174 0.000 1.107 1050 R CB 0.505 30.966 30.300 0.268 0.000 0.999 1050 R HN 0.100 nan 8.270 nan 0.000 0.460 1051 A N 5.492 128.378 122.820 0.109 0.000 2.531 1051 A HA 0.209 4.529 4.320 0.000 0.000 0.236 1051 A C -2.075 175.577 177.584 0.113 0.000 1.062 1051 A CA -1.068 51.033 52.037 0.106 0.000 0.760 1051 A CB -0.217 18.849 19.000 0.109 0.000 0.995 1051 A HN 0.579 nan 8.150 nan 0.000 0.501 1052 P HA 0.070 nan 4.420 nan 0.000 0.264 1052 P C -0.295 177.133 177.300 0.213 0.000 1.193 1052 P CA 0.373 63.517 63.100 0.074 0.000 0.763 1052 P CB 0.669 32.391 31.700 0.037 0.000 0.810 1053 S N 2.081 117.893 115.700 0.186 0.000 2.422 1053 S HA 0.188 4.658 4.470 0.000 0.000 0.298 1053 S C 1.303 176.137 174.600 0.390 0.000 1.118 1053 S CA -0.351 58.008 58.200 0.266 0.000 1.083 1053 S CB -0.095 63.235 63.200 0.217 0.000 0.971 1053 S HN 0.350 nan 8.310 nan 0.000 0.478 1054 T N 4.609 119.433 114.554 0.451 0.000 2.720 1054 T HA -0.131 4.219 4.350 0.000 0.000 0.268 1054 T C 1.204 176.138 174.700 0.390 0.000 1.037 1054 T CA 1.628 64.014 62.100 0.476 0.000 1.144 1054 T CB -0.342 68.715 68.868 0.314 0.000 0.864 1054 T HN 0.884 nan 8.240 nan 0.000 0.444 1055 W N 1.300 122.700 121.300 0.167 0.000 2.378 1055 W HA -0.010 4.650 4.660 0.000 0.000 0.313 1055 W C 1.968 178.583 176.519 0.160 0.000 1.197 1055 W CA 0.445 57.860 57.345 0.117 0.000 1.304 1055 W CB -0.592 28.844 29.460 -0.039 0.000 1.148 1055 W HN 0.114 nan 8.180 nan 0.000 0.494 1056 L N 0.812 122.303 121.223 0.447 0.000 2.042 1056 L HA -0.200 4.140 4.340 0.000 0.000 0.210 1056 L C 2.298 179.178 176.870 0.018 0.000 1.076 1056 L CA 2.814 57.786 54.840 0.220 0.000 0.749 1056 L CB -1.378 40.833 42.059 0.253 0.000 0.893 1056 L HN -0.026 nan 8.230 nan 0.000 0.432 1057 T N -0.209 114.424 114.554 0.132 0.000 2.720 1057 T HA -0.169 4.181 4.350 0.000 0.000 0.268 1057 T C 1.864 176.572 174.700 0.014 0.000 1.037 1057 T CA 1.389 63.577 62.100 0.147 0.000 1.144 1057 T CB -0.517 68.518 68.868 0.279 0.000 0.864 1057 T HN 0.534 nan 8.240 nan 0.000 0.444 1058 A N 0.101 122.924 122.820 0.005 0.000 1.968 1058 A HA -0.013 4.307 4.320 0.000 0.000 0.217 1058 A C 2.069 179.507 177.584 -0.242 0.000 1.169 1058 A CA 1.126 53.099 52.037 -0.108 0.000 0.638 1058 A CB -0.842 18.110 19.000 -0.081 0.000 0.812 1058 A HN 0.593 nan 8.150 nan 0.000 0.446 1059 Y N 0.481 120.510 120.300 -0.451 0.000 2.200 1059 Y HA -0.135 4.415 4.550 0.000 0.000 0.290 1059 Y C 2.276 177.894 175.900 -0.471 0.000 1.137 1059 Y CA 1.732 59.503 58.100 -0.548 0.000 1.163 1059 Y CB -0.197 37.698 38.460 -0.943 0.000 0.988 1059 Y HN 0.062 nan 8.280 nan 0.000 0.518 1060 V N -0.715 118.934 119.914 -0.442 0.000 2.332 1060 V HA -0.349 3.771 4.120 0.000 0.000 0.248 1060 V C 2.303 177.997 176.094 -0.666 0.000 1.055 1060 V CA 1.869 63.739 62.300 -0.717 0.000 1.038 1060 V CB -0.929 30.143 31.823 -1.253 0.000 0.651 1060 V HN 0.361 nan 8.190 nan 0.000 0.450 1061 V N -0.101 119.532 119.914 -0.468 0.000 2.407 1061 V HA -0.296 3.824 4.120 0.000 0.000 0.248 1061 V C 2.405 178.367 176.094 -0.221 0.000 1.055 1061 V CA 2.329 64.467 62.300 -0.270 0.000 1.049 1061 V CB -0.741 30.976 31.823 -0.176 0.000 0.662 1061 V HN 0.579 nan 8.190 nan 0.000 0.455 1062 K N 0.052 120.231 120.400 -0.369 0.000 2.057 1062 K HA -0.159 4.161 4.320 0.000 0.000 0.207 1062 K C 2.009 178.446 176.600 -0.272 0.000 1.049 1062 K CA 1.762 57.832 56.287 -0.361 0.000 0.931 1062 K CB -0.103 32.047 32.500 -0.584 0.000 0.714 1062 K HN 0.365 nan 8.250 nan 0.000 0.440 1063 V N 0.641 120.295 119.914 -0.434 0.000 2.407 1063 V HA -0.151 3.969 4.120 0.000 0.000 0.245 1063 V C 2.055 178.208 176.094 0.099 0.000 1.041 1063 V CA 1.261 63.429 62.300 -0.219 0.000 1.040 1063 V CB -0.538 31.083 31.823 -0.336 0.000 0.671 1063 V HN 0.187 nan 8.190 nan 0.000 0.455 1064 F N 1.213 121.065 119.950 -0.163 0.000 2.134 1064 F HA -0.119 4.408 4.527 0.000 0.000 0.299 1064 F C 2.659 178.430 175.800 -0.048 0.000 1.097 1064 F CA 1.545 59.508 58.000 -0.062 0.000 1.264 1064 F CB -1.089 37.896 39.000 -0.025 0.000 1.001 1064 F HN 0.063 nan 8.300 nan 0.000 0.479 1065 S N -0.065 115.715 115.700 0.132 0.000 2.507 1065 S HA -0.095 4.375 4.470 0.000 0.000 0.235 1065 S C 2.026 176.646 174.600 0.033 0.000 0.988 1065 S CA 0.581 58.816 58.200 0.060 0.000 0.944 1065 S CB -0.335 62.878 63.200 0.021 0.000 0.762 1065 S HN 0.369 nan 8.310 nan 0.000 0.526 1066 L N 0.320 121.565 121.223 0.037 0.000 2.408 1066 L HA 0.318 4.658 4.340 0.000 0.000 0.215 1066 L C 1.927 178.805 176.870 0.014 0.000 1.081 1066 L CA 0.406 55.251 54.840 0.008 0.000 0.840 1066 L CB -0.204 41.851 42.059 -0.007 0.000 1.002 1066 L HN 0.281 nan 8.230 nan 0.000 0.468 1067 A N -0.754 122.062 122.820 -0.007 0.000 2.251 1067 A HA 0.073 4.393 4.320 0.000 0.000 0.209 1067 A C 1.910 179.438 177.584 -0.093 0.000 1.187 1067 A CA 0.738 52.740 52.037 -0.058 0.000 0.823 1067 A CB -0.613 18.303 19.000 -0.139 0.000 0.846 1067 A HN 0.360 nan 8.150 nan 0.000 0.486 1068 V N -2.202 117.678 119.914 -0.056 0.000 2.759 1068 V HA -0.139 3.981 4.120 0.000 0.000 0.256 1068 V C 1.254 177.318 176.094 -0.049 0.000 1.080 1068 V CA 2.066 64.329 62.300 -0.062 0.000 1.101 1068 V CB -0.873 30.937 31.823 -0.021 0.000 0.698 1068 V HN 0.437 nan 8.190 nan 0.000 0.477 1069 N N 0.023 118.712 118.700 -0.020 0.000 2.398 1069 N HA 0.288 5.028 4.740 0.000 0.000 0.188 1069 N C 1.285 176.780 175.510 -0.025 0.000 1.122 1069 N CA 0.730 53.773 53.050 -0.011 0.000 0.866 1069 N CB 0.470 38.971 38.487 0.023 0.000 0.970 1069 N HN 0.517 nan 8.380 nan 0.000 0.462 1070 L N -0.575 120.622 121.223 -0.043 0.000 2.515 1070 L HA 0.388 4.728 4.340 0.000 0.000 0.202 1070 L C 1.007 177.820 176.870 -0.095 0.000 1.056 1070 L CA 0.308 55.115 54.840 -0.055 0.000 0.847 1070 L CB 0.091 42.130 42.059 -0.033 0.000 1.131 1070 L HN 0.018 nan 8.230 nan 0.000 0.484 1071 I N -2.978 117.509 120.570 -0.138 0.000 3.516 1071 I HA 0.758 4.929 4.170 0.000 0.000 0.297 1071 I C -0.564 175.422 176.117 -0.217 0.000 1.139 1071 I CA -1.157 60.032 61.300 -0.184 0.000 1.020 1071 I CB 1.814 39.666 38.000 -0.246 0.000 1.341 1071 I HN -0.188 nan 8.210 nan 0.000 0.490 1072 A N 2.705 125.368 122.820 -0.262 0.000 2.252 1072 A HA 0.663 4.983 4.320 0.000 0.000 0.309 1072 A C -0.519 176.823 177.584 -0.403 0.000 1.285 1072 A CA -0.391 51.502 52.037 -0.240 0.000 0.900 1072 A CB -0.070 18.838 19.000 -0.153 0.000 1.157 1072 A HN 0.463 nan 8.150 nan 0.000 0.536 1073 I N 2.693 123.096 120.570 -0.279 0.000 2.339 1073 I HA 0.184 4.354 4.170 0.000 0.000 0.290 1073 I C -0.106 176.019 176.117 0.014 0.000 0.994 1073 I CA -0.629 60.535 61.300 -0.228 0.000 1.191 1073 I CB 1.361 39.296 38.000 -0.108 0.000 1.343 1073 I HN 0.626 nan 8.210 nan 0.000 0.458 1074 D N 4.060 124.561 120.400 0.169 0.000 2.401 1074 D HA 0.057 4.697 4.640 0.000 0.000 0.254 1074 D C 1.055 177.454 176.300 0.165 0.000 1.192 1074 D CA 0.454 54.561 54.000 0.178 0.000 0.885 1074 D CB 1.098 42.042 40.800 0.239 0.000 1.147 1074 D HN 0.417 nan 8.370 nan 0.000 0.478 1075 S N 2.997 118.761 115.700 0.106 0.000 2.419 1075 S HA -0.159 4.311 4.470 0.000 0.000 0.233 1075 S C 1.695 176.353 174.600 0.097 0.000 1.016 1075 S CA 0.659 58.914 58.200 0.092 0.000 0.974 1075 S CB 0.003 63.239 63.200 0.061 0.000 0.786 1075 S HN 0.576 nan 8.310 nan 0.000 0.492 1076 Q N 0.571 120.428 119.800 0.094 0.000 2.167 1076 Q HA -0.011 4.329 4.340 0.000 0.000 0.202 1076 Q C 2.339 178.394 176.000 0.092 0.000 0.970 1076 Q CA 0.958 56.809 55.803 0.079 0.000 0.855 1076 Q CB -0.500 28.276 28.738 0.064 0.000 0.911 1076 Q HN 0.476 nan 8.270 nan 0.000 0.438 1077 V N 0.580 120.578 119.914 0.140 0.000 2.331 1077 V HA -0.173 3.947 4.120 0.000 0.000 0.242 1077 V C 2.241 178.443 176.094 0.179 0.000 1.034 1077 V CA 0.984 63.384 62.300 0.168 0.000 1.027 1077 V CB -0.636 31.350 31.823 0.272 0.000 0.667 1077 V HN 0.189 nan 8.190 nan 0.000 0.457 1078 L N 0.410 121.756 121.223 0.206 0.000 1.989 1078 L HA -0.179 4.161 4.340 0.000 0.000 0.211 1078 L C 2.335 179.268 176.870 0.105 0.000 1.071 1078 L CA 2.325 57.262 54.840 0.161 0.000 0.749 1078 L CB -0.874 41.293 42.059 0.180 0.000 0.890 1078 L HN 0.384 nan 8.230 nan 0.000 0.431 1079 c N -0.054 118.604 118.600 0.097 0.000 2.448 1079 c HA 0.077 4.647 4.570 0.000 0.000 0.280 1079 c C 2.720 176.863 174.090 0.089 0.000 1.398 1079 c CA 0.240 56.617 56.329 0.080 0.000 1.774 1079 c CB -1.934 40.617 42.510 0.067 0.000 1.888 1079 c HN 0.763 nan 8.230 nan 0.000 0.519 1080 G N 0.769 109.623 108.800 0.090 0.000 2.418 1080 G HA2 -0.030 3.930 3.960 0.000 0.000 0.217 1080 G HA3 -0.030 3.930 3.960 0.000 0.000 0.217 1080 G C 1.851 176.820 174.900 0.115 0.000 1.158 1080 G CA 0.957 46.106 45.100 0.082 0.000 0.771 1080 G HN 0.586 nan 8.290 nan 0.000 0.545 1081 A N -0.034 122.861 122.820 0.125 0.000 1.968 1081 A HA 0.196 4.516 4.320 0.000 0.000 0.217 1081 A C 2.550 180.273 177.584 0.231 0.000 1.169 1081 A CA 1.536 53.682 52.037 0.182 0.000 0.638 1081 A CB -0.348 18.779 19.000 0.212 0.000 0.812 1081 A HN 0.234 nan 8.150 nan 0.000 0.446 1082 V N 0.233 120.236 119.914 0.149 0.000 2.307 1082 V HA -0.233 3.887 4.120 0.000 0.000 0.245 1082 V C 2.495 178.678 176.094 0.148 0.000 1.045 1082 V CA 2.261 64.633 62.300 0.121 0.000 1.024 1082 V CB -0.597 31.269 31.823 0.071 0.000 0.651 1082 V HN 0.683 nan 8.190 nan 0.000 0.449 1083 K N -1.209 119.279 120.400 0.148 0.000 2.147 1083 K HA -0.261 4.059 4.320 0.000 0.000 0.205 1083 K C 1.997 178.702 176.600 0.175 0.000 1.049 1083 K CA 1.857 58.224 56.287 0.134 0.000 0.936 1083 K CB -0.250 32.318 32.500 0.113 0.000 0.722 1083 K HN 0.586 nan 8.250 nan 0.000 0.446 1084 W N 1.337 122.664 121.300 0.045 0.000 2.379 1084 W HA -0.118 4.542 4.660 0.000 0.000 0.307 1084 W C 1.378 177.947 176.519 0.084 0.000 1.200 1084 W CA 1.204 58.578 57.345 0.049 0.000 1.297 1084 W CB -0.237 29.244 29.460 0.035 0.000 1.140 1084 W HN -0.035 nan 8.180 nan 0.000 0.507 1085 L N 0.203 121.523 121.223 0.160 0.000 2.083 1085 L HA -0.242 4.098 4.340 0.000 0.000 0.209 1085 L C 2.342 179.268 176.870 0.093 0.000 1.083 1085 L CA 1.376 56.237 54.840 0.034 0.000 0.752 1085 L CB -0.780 41.374 42.059 0.160 0.000 0.899 1085 L HN 0.067 nan 8.230 nan 0.000 0.433 1086 I N -0.584 120.046 120.570 0.099 0.000 2.141 1086 I HA -0.259 3.911 4.170 0.000 0.000 0.236 1086 I C 2.355 178.441 176.117 -0.051 0.000 1.071 1086 I CA 1.232 62.575 61.300 0.072 0.000 1.345 1086 I CB -0.256 37.789 38.000 0.075 0.000 1.066 1086 I HN 0.148 nan 8.210 nan 0.000 0.406 1087 L N 0.060 121.248 121.223 -0.058 0.000 2.056 1087 L HA -0.137 4.203 4.340 0.000 0.000 0.207 1087 L C 2.627 179.407 176.870 -0.150 0.000 1.078 1087 L CA 1.150 55.942 54.840 -0.079 0.000 0.749 1087 L CB -0.533 41.508 42.059 -0.031 0.000 0.901 1087 L HN 0.271 nan 8.230 nan 0.000 0.433 1088 E N 0.210 120.247 120.200 -0.273 0.000 2.035 1088 E HA -0.001 4.349 4.350 0.000 0.000 0.191 1088 E C 0.822 177.192 176.600 -0.384 0.000 0.966 1088 E CA 0.713 56.888 56.400 -0.375 0.000 0.823 1088 E CB -0.001 29.295 29.700 -0.674 0.000 0.791 1088 E HN 0.133 nan 8.360 nan 0.000 0.459 1089 K N 1.858 121.938 120.400 -0.533 0.000 2.758 1089 K HA 0.214 4.534 4.320 0.000 0.000 0.250 1089 K C -0.247 176.236 176.600 -0.194 0.000 1.268 1089 K CA -0.016 56.065 56.287 -0.342 0.000 1.228 1089 K CB 0.143 32.393 32.500 -0.417 0.000 1.715 1089 K HN 0.174 nan 8.250 nan 0.000 0.334 1090 Q N 1.206 120.843 119.800 -0.272 0.000 2.331 1090 Q HA 0.179 4.519 4.340 0.000 0.000 0.249 1090 Q C -1.196 174.611 176.000 -0.321 0.000 0.913 1090 Q CA -0.396 55.145 55.803 -0.436 0.000 0.874 1090 Q CB 1.452 29.861 28.738 -0.549 0.000 1.384 1090 Q HN 0.145 nan 8.270 nan 0.000 0.427 1091 K N 3.371 123.583 120.400 -0.314 0.000 2.138 1091 K HA 0.239 4.559 4.320 0.000 0.000 0.251 1091 K C -1.828 174.644 176.600 -0.212 0.000 1.015 1091 K CA -1.704 54.451 56.287 -0.221 0.000 0.917 1091 K CB 0.570 32.955 32.500 -0.191 0.000 1.021 1091 K HN 0.355 nan 8.250 nan 0.000 0.485 1092 P HA -0.163 nan 4.420 nan 0.000 0.222 1092 P C -0.109 177.124 177.300 -0.113 0.000 1.142 1092 P CA 1.233 64.265 63.100 -0.112 0.000 0.788 1092 P CB 0.179 31.833 31.700 -0.075 0.000 0.767 1093 D N -1.633 118.682 120.400 -0.142 0.000 2.317 1093 D HA 0.041 4.681 4.640 0.000 0.000 0.211 1093 D C 1.692 177.887 176.300 -0.175 0.000 0.966 1093 D CA 1.361 55.285 54.000 -0.126 0.000 0.876 1093 D CB -0.562 40.145 40.800 -0.155 0.000 0.927 1093 D HN 0.187 nan 8.370 nan 0.000 0.519 1094 G N -0.081 108.555 108.800 -0.274 0.000 2.141 1094 G HA2 -0.246 3.714 3.960 0.000 0.000 0.231 1094 G HA3 -0.246 3.714 3.960 0.000 0.000 0.231 1094 G C 0.184 174.761 174.900 -0.538 0.000 0.984 1094 G CA 0.180 45.081 45.100 -0.332 0.000 0.660 1094 G HN 0.282 nan 8.290 nan 0.000 0.525 1095 V N 0.867 120.409 119.914 -0.620 0.000 2.481 1095 V HA 0.696 4.816 4.120 0.000 0.000 0.286 1095 V C 0.271 176.037 176.094 -0.548 0.000 1.042 1095 V CA -0.586 61.329 62.300 -0.642 0.000 0.928 1095 V CB 1.154 32.548 31.823 -0.716 0.000 0.986 1095 V HN 0.205 nan 8.190 nan 0.000 0.462 1096 F N 3.023 122.890 119.950 -0.139 0.000 2.408 1096 F HA 0.543 5.070 4.527 0.000 0.000 0.344 1096 F C 0.351 176.132 175.800 -0.031 0.000 1.112 1096 F CA -0.182 57.780 58.000 -0.064 0.000 1.096 1096 F CB 1.257 40.260 39.000 0.006 0.000 1.129 1096 F HN 0.432 nan 8.300 nan 0.000 0.486 1097 Q N 2.085 121.957 119.800 0.121 0.000 2.342 1097 Q HA 0.348 4.688 4.340 0.000 0.000 0.267 1097 Q C -1.239 174.833 176.000 0.120 0.000 1.038 1097 Q CA -1.048 54.807 55.803 0.086 0.000 0.832 1097 Q CB 2.023 30.771 28.738 0.017 0.000 1.323 1097 Q HN 0.611 nan 8.270 nan 0.000 0.448 1098 E N 1.932 122.204 120.200 0.120 0.000 2.200 1098 E HA 0.123 4.473 4.350 0.000 0.000 0.283 1098 E C -0.843 175.819 176.600 0.103 0.000 1.015 1098 E CA 0.052 56.533 56.400 0.136 0.000 0.819 1098 E CB 1.037 30.810 29.700 0.122 0.000 1.081 1098 E HN 0.579 nan 8.360 nan 0.000 0.397 1099 D N 3.063 123.538 120.400 0.126 0.000 2.394 1099 D HA 0.175 4.815 4.640 0.000 0.000 0.226 1099 D C -0.259 176.102 176.300 0.102 0.000 0.990 1099 D CA 0.594 54.656 54.000 0.105 0.000 0.902 1099 D CB 0.437 41.308 40.800 0.118 0.000 1.038 1099 D HN 0.373 nan 8.370 nan 0.000 0.499 1100 A N 1.735 124.632 122.820 0.128 0.000 2.802 1100 A HA 0.513 4.833 4.320 0.000 0.000 0.344 1100 A C -2.613 175.027 177.584 0.094 0.000 1.215 1100 A CA -1.276 50.825 52.037 0.108 0.000 0.821 1100 A CB 0.536 19.611 19.000 0.125 0.000 1.099 1100 A HN -0.153 nan 8.150 nan 0.000 0.479 1101 P HA 0.135 nan 4.420 nan 0.000 0.264 1101 P C 0.580 177.874 177.300 -0.010 0.000 1.183 1101 P CA 0.168 63.271 63.100 0.004 0.000 0.763 1101 P CB 0.635 32.317 31.700 -0.029 0.000 0.807 1102 V N 1.680 121.563 119.914 -0.051 0.000 2.872 1102 V HA -0.021 4.099 4.120 0.000 0.000 0.307 1102 V C 1.438 177.489 176.094 -0.072 0.000 1.072 1102 V CA 0.115 62.387 62.300 -0.046 0.000 1.148 1102 V CB -0.334 31.439 31.823 -0.083 0.000 0.954 1102 V HN 0.334 nan 8.190 nan 0.000 0.490 1103 I N 1.956 122.498 120.570 -0.046 0.000 2.179 1103 I HA -0.115 4.055 4.170 0.000 0.000 0.242 1103 I C 1.701 177.700 176.117 -0.196 0.000 1.088 1103 I CA 1.265 62.497 61.300 -0.114 0.000 1.357 1103 I CB -0.867 37.051 38.000 -0.138 0.000 1.051 1103 I HN 0.699 nan 8.210 nan 0.000 0.409 1104 H N 3.243 122.246 119.070 -0.111 0.000 3.205 1104 H HA 0.117 4.673 4.556 0.000 0.000 0.262 1104 H C 0.558 175.749 175.328 -0.227 0.000 1.333 1104 H CA -0.035 55.929 56.048 -0.140 0.000 1.499 1104 H CB 0.321 29.991 29.762 -0.153 0.000 1.609 1104 H HN 0.369 nan 8.280 nan 0.000 0.498 1105 Q N 1.726 121.450 119.800 -0.127 0.000 2.466 1105 Q HA -0.073 4.267 4.340 0.000 0.000 0.210 1105 Q C 1.467 177.340 176.000 -0.212 0.000 0.961 1105 Q CA 0.391 56.077 55.803 -0.196 0.000 0.953 1105 Q CB 0.351 29.010 28.738 -0.133 0.000 1.011 1105 Q HN 0.749 nan 8.270 nan 0.000 0.516 1106 E N -0.274 119.803 120.200 -0.205 0.000 2.460 1106 E HA -0.063 4.287 4.350 0.000 0.000 0.200 1106 E C 1.623 178.039 176.600 -0.306 0.000 1.011 1106 E CA 0.189 56.426 56.400 -0.271 0.000 0.912 1106 E CB -0.187 29.239 29.700 -0.457 0.000 0.953 1106 E HN 0.437 nan 8.360 nan 0.000 0.494 1107 M N 0.338 119.753 119.600 -0.308 0.000 2.541 1107 M HA 0.245 4.725 4.480 0.000 0.000 0.252 1107 M C 2.060 178.156 176.300 -0.340 0.000 1.125 1107 M CA 0.686 55.815 55.300 -0.285 0.000 1.091 1107 M CB -0.590 31.850 32.600 -0.266 0.000 1.420 1107 M HN 0.067 nan 8.290 nan 0.000 0.486 1108 I N -1.943 118.277 120.570 -0.584 0.000 3.428 1108 I HA 0.415 4.585 4.170 0.000 0.000 0.286 1108 I C 1.374 177.305 176.117 -0.310 0.000 1.287 1108 I CA 0.384 61.231 61.300 -0.755 0.000 1.396 1108 I CB -0.876 36.431 38.000 -1.155 0.000 1.062 1108 I HN 0.480 nan 8.210 nan 0.000 0.471 1109 G N 2.109 110.736 108.800 -0.288 0.000 2.601 1109 G HA2 -0.372 3.588 3.960 0.000 0.000 0.306 1109 G HA3 -0.372 3.588 3.960 0.000 0.000 0.306 1109 G C 0.907 175.426 174.900 -0.635 0.000 1.172 1109 G CA 0.233 45.139 45.100 -0.324 0.000 0.966 1109 G HN 0.674 nan 8.290 nan 0.000 0.542 1110 G N -0.508 107.974 108.800 -0.530 0.000 3.181 1110 G HA2 0.439 4.399 3.960 0.000 0.000 0.219 1110 G HA3 0.439 4.399 3.960 0.000 0.000 0.219 1110 G C 1.100 175.723 174.900 -0.461 0.000 1.182 1110 G CA 0.987 45.539 45.100 -0.913 0.000 0.791 1110 G HN 0.553 nan 8.290 nan 0.000 0.537 1111 L N -0.629 120.457 121.223 -0.227 0.000 2.640 1111 L HA 0.393 4.733 4.340 0.000 0.000 0.230 1111 L C 2.375 179.166 176.870 -0.132 0.000 1.123 1111 L CA 0.117 54.880 54.840 -0.127 0.000 0.900 1111 L CB -0.037 41.918 42.059 -0.173 0.000 1.146 1111 L HN 0.128 nan 8.230 nan 0.000 0.484 1112 R N 0.471 120.905 120.500 -0.110 0.000 2.070 1112 R HA -0.114 4.226 4.340 0.000 0.000 0.232 1112 R C 0.842 177.136 176.300 -0.011 0.000 1.138 1112 R CA 1.162 57.227 56.100 -0.059 0.000 0.936 1112 R CB -0.045 30.270 30.300 0.026 0.000 0.839 1112 R HN 0.250 nan 8.270 nan 0.000 0.429 1113 N N 1.854 120.580 118.700 0.044 0.000 2.405 1113 N HA -0.053 4.687 4.740 0.000 0.000 0.260 1113 N C -1.597 173.904 175.510 -0.015 0.000 1.152 1113 N CA -0.199 52.836 53.050 -0.025 0.000 0.948 1113 N CB 0.475 38.894 38.487 -0.113 0.000 1.111 1113 N HN 0.253 nan 8.380 nan 0.000 0.485 1114 N N 2.410 121.102 118.700 -0.012 0.000 2.955 1114 N HA 0.085 4.825 4.740 0.000 0.000 0.242 1114 N C 0.003 175.523 175.510 0.016 0.000 1.123 1114 N CA -0.557 52.499 53.050 0.010 0.000 0.949 1114 N CB 0.509 39.002 38.487 0.010 0.000 1.214 1114 N HN 0.385 nan 8.380 nan 0.000 0.504 1115 N N 1.821 120.533 118.700 0.020 0.000 2.416 1115 N HA -0.057 4.683 4.740 0.000 0.000 0.177 1115 N C -0.610 174.925 175.510 0.042 0.000 1.036 1115 N CA 0.835 53.898 53.050 0.021 0.000 0.901 1115 N CB 0.315 38.809 38.487 0.012 0.000 0.976 1115 N HN 0.622 nan 8.380 nan 0.000 0.444 1116 E N -0.422 119.817 120.200 0.065 0.000 3.909 1116 E HA 0.065 4.415 4.350 0.000 0.000 0.236 1116 E C 0.008 176.679 176.600 0.118 0.000 1.222 1116 E CA -0.207 56.246 56.400 0.088 0.000 1.205 1116 E CB 1.083 30.836 29.700 0.087 0.000 1.249 1116 E HN -0.015 nan 8.360 nan 0.000 0.411 1117 K N 1.060 121.520 120.400 0.101 0.000 2.074 1117 K HA -0.209 4.111 4.320 0.000 0.000 0.209 1117 K C 1.134 177.825 176.600 0.151 0.000 1.048 1117 K CA 1.937 58.288 56.287 0.108 0.000 0.926 1117 K CB 0.095 32.639 32.500 0.074 0.000 0.713 1117 K HN 0.158 nan 8.250 nan 0.000 0.444 1118 D N -0.273 120.229 120.400 0.170 0.000 2.084 1118 D HA -0.173 4.467 4.640 0.000 0.000 0.194 1118 D C 1.885 178.396 176.300 0.352 0.000 0.990 1118 D CA 1.361 55.498 54.000 0.227 0.000 0.826 1118 D CB -0.153 40.818 40.800 0.284 0.000 0.971 1118 D HN 0.192 nan 8.370 nan 0.000 0.453 1119 M N 0.543 120.355 119.600 0.354 0.000 2.159 1119 M HA -0.044 4.436 4.480 0.000 0.000 0.263 1119 M C 2.260 178.732 176.300 0.286 0.000 1.063 1119 M CA 0.836 56.343 55.300 0.343 0.000 1.110 1119 M CB -1.079 31.624 32.600 0.172 0.000 1.374 1119 M HN -0.018 nan 8.290 nan 0.000 0.411 1120 A N 0.332 123.296 122.820 0.241 0.000 1.841 1120 A HA -0.136 4.184 4.320 0.000 0.000 0.214 1120 A C 2.209 179.960 177.584 0.278 0.000 1.195 1120 A CA 1.344 53.526 52.037 0.242 0.000 0.611 1120 A CB -1.053 18.095 19.000 0.245 0.000 0.835 1120 A HN 0.396 nan 8.150 nan 0.000 0.443 1121 L N 0.040 121.422 121.223 0.264 0.000 2.042 1121 L HA -0.127 4.213 4.340 0.000 0.000 0.210 1121 L C 2.405 179.473 176.870 0.330 0.000 1.076 1121 L CA 2.874 57.892 54.840 0.296 0.000 0.749 1121 L CB -1.175 41.030 42.059 0.242 0.000 0.893 1121 L HN 0.395 nan 8.230 nan 0.000 0.432 1122 T N -0.212 114.542 114.554 0.334 0.000 2.833 1122 T HA -0.129 4.221 4.350 0.000 0.000 0.269 1122 T C 1.858 176.760 174.700 0.337 0.000 1.054 1122 T CA 1.251 63.598 62.100 0.411 0.000 1.135 1122 T CB -0.443 68.630 68.868 0.342 0.000 0.869 1122 T HN 0.535 nan 8.240 nan 0.000 0.466 1123 A N 0.581 123.575 122.820 0.290 0.000 1.929 1123 A HA 0.112 4.432 4.320 0.000 0.000 0.216 1123 A C 1.961 179.646 177.584 0.168 0.000 1.176 1123 A CA 0.806 52.967 52.037 0.205 0.000 0.628 1123 A CB -0.805 18.298 19.000 0.172 0.000 0.816 1123 A HN 0.473 nan 8.150 nan 0.000 0.444 1124 F N 0.824 120.821 119.950 0.079 0.000 2.075 1124 F HA -0.162 4.365 4.527 0.000 0.000 0.297 1124 F C 2.232 178.008 175.800 -0.041 0.000 1.113 1124 F CA 2.161 60.203 58.000 0.070 0.000 1.218 1124 F CB -0.229 38.866 39.000 0.158 0.000 0.984 1124 F HN 0.027 nan 8.300 nan 0.000 0.472 1125 V N 0.490 120.421 119.914 0.029 0.000 2.407 1125 V HA -0.271 3.849 4.120 0.000 0.000 0.248 1125 V C 2.299 178.139 176.094 -0.423 0.000 1.055 1125 V CA 1.616 63.702 62.300 -0.357 0.000 1.049 1125 V CB -0.863 30.451 31.823 -0.849 0.000 0.662 1125 V HN 0.434 nan 8.190 nan 0.000 0.455 1126 L N 0.197 121.282 121.223 -0.230 0.000 2.017 1126 L HA -0.143 4.197 4.340 0.000 0.000 0.208 1126 L C 2.200 179.007 176.870 -0.105 0.000 1.073 1126 L CA 1.930 56.723 54.840 -0.078 0.000 0.745 1126 L CB -0.543 41.564 42.059 0.080 0.000 0.894 1126 L HN 0.229 nan 8.230 nan 0.000 0.432 1127 I N -1.106 119.397 120.570 -0.112 0.000 2.208 1127 I HA -0.309 3.861 4.170 0.000 0.000 0.245 1127 I C 2.343 178.374 176.117 -0.144 0.000 1.097 1127 I CA 1.373 62.613 61.300 -0.101 0.000 1.363 1127 I CB -0.521 37.487 38.000 0.013 0.000 1.051 1127 I HN 0.229 nan 8.210 nan 0.000 0.413 1128 S N 0.990 116.539 115.700 -0.252 0.000 2.382 1128 S HA -0.103 4.367 4.470 0.000 0.000 0.228 1128 S C 1.988 176.493 174.600 -0.159 0.000 1.027 1128 S CA 1.204 59.251 58.200 -0.254 0.000 0.991 1128 S CB -0.319 62.664 63.200 -0.362 0.000 0.823 1128 S HN 0.361 nan 8.310 nan 0.000 0.469 1129 L N 1.163 122.300 121.223 -0.143 0.000 2.093 1129 L HA -0.113 4.227 4.340 0.000 0.000 0.208 1129 L C 2.564 179.402 176.870 -0.053 0.000 1.085 1129 L CA 1.117 55.910 54.840 -0.078 0.000 0.755 1129 L CB -0.578 41.452 42.059 -0.048 0.000 0.904 1129 L HN 0.350 nan 8.230 nan 0.000 0.435 1130 Q N -0.091 119.669 119.800 -0.065 0.000 2.369 1130 Q HA -0.147 4.193 4.340 0.000 0.000 0.206 1130 Q C 1.626 177.596 176.000 -0.049 0.000 0.963 1130 Q CA 0.852 56.620 55.803 -0.059 0.000 0.894 1130 Q CB 0.062 28.746 28.738 -0.090 0.000 0.965 1130 Q HN 0.572 nan 8.270 nan 0.000 0.475 1131 E N 0.014 120.185 120.200 -0.048 0.000 2.435 1131 E HA 0.028 4.378 4.350 0.000 0.000 0.195 1131 E C 0.926 177.516 176.600 -0.018 0.000 1.029 1131 E CA 0.470 56.854 56.400 -0.027 0.000 0.865 1131 E CB 0.367 30.051 29.700 -0.026 0.000 0.833 1131 E HN 0.230 nan 8.360 nan 0.000 0.510 1132 A N 0.820 123.627 122.820 -0.022 0.000 2.538 1132 A HA 0.112 4.432 4.320 0.000 0.000 0.269 1132 A C 1.619 179.203 177.584 0.001 0.000 1.231 1132 A CA -0.308 51.726 52.037 -0.004 0.000 0.948 1132 A CB 0.107 19.105 19.000 -0.004 0.000 1.110 1132 A HN -0.024 nan 8.150 nan 0.000 0.529 1133 K N 0.575 120.971 120.400 -0.006 0.000 2.057 1133 K HA -0.171 4.149 4.320 0.000 0.000 0.206 1133 K C 0.614 177.216 176.600 0.002 0.000 1.050 1133 K CA 1.790 58.076 56.287 -0.002 0.000 0.935 1133 K CB -0.066 32.427 32.500 -0.011 0.000 0.715 1133 K HN 0.294 nan 8.250 nan 0.000 0.439 1134 D N 0.478 120.879 120.400 0.001 0.000 2.310 1134 D HA -0.090 4.551 4.640 0.000 0.000 0.212 1134 D C 1.716 178.021 176.300 0.009 0.000 0.965 1134 D CA 0.901 54.903 54.000 0.004 0.000 0.879 1134 D CB 0.114 40.916 40.800 0.003 0.000 0.921 1134 D HN 0.364 nan 8.370 nan 0.000 0.510 1135 I N -0.545 120.033 120.570 0.013 0.000 2.685 1135 I HA -0.076 4.094 4.170 0.000 0.000 0.251 1135 I C 1.262 177.393 176.117 0.024 0.000 1.102 1135 I CA 0.393 61.705 61.300 0.020 0.000 1.442 1135 I CB 0.197 38.213 38.000 0.027 0.000 1.194 1135 I HN -0.091 nan 8.210 nan 0.000 0.448 1136 c N 1.513 120.129 118.600 0.026 0.000 2.377 1136 c HA 0.067 4.637 4.570 0.000 0.000 0.341 1136 c C 2.137 176.241 174.090 0.024 0.000 1.304 1136 c CA -0.158 56.190 56.329 0.030 0.000 1.690 1136 c CB -1.961 40.571 42.510 0.037 0.000 1.808 1136 c HN 0.459 nan 8.230 nan 0.000 0.592 1137 E N 1.156 121.367 120.200 0.018 0.000 2.371 1137 E HA -0.150 4.200 4.350 0.000 0.000 0.194 1137 E C 2.041 178.650 176.600 0.015 0.000 1.012 1137 E CA 0.801 57.210 56.400 0.014 0.000 0.860 1137 E CB 0.263 29.968 29.700 0.009 0.000 0.811 1137 E HN 0.627 nan 8.360 nan 0.000 0.502 1138 E N 0.352 120.563 120.200 0.017 0.000 2.075 1138 E HA -0.099 4.251 4.350 0.000 0.000 0.190 1138 E C 1.803 178.415 176.600 0.020 0.000 0.969 1138 E CA 1.220 57.630 56.400 0.017 0.000 0.815 1138 E CB 0.132 29.842 29.700 0.017 0.000 0.776 1138 E HN 0.242 nan 8.360 nan 0.000 0.457 1139 Q N -0.240 119.575 119.800 0.025 0.000 1.990 1139 Q HA 0.116 4.456 4.340 0.000 0.000 0.195 1139 Q C 0.202 176.220 176.000 0.029 0.000 0.977 1139 Q CA 0.808 56.629 55.803 0.029 0.000 0.828 1139 Q CB 0.062 28.822 28.738 0.036 0.000 0.896 1139 Q HN 0.061 nan 8.270 nan 0.000 0.447 1140 V N 4.078 124.012 119.914 0.034 0.000 2.425 1140 V HA -0.079 4.041 4.120 0.000 0.000 0.276 1140 V C 0.762 176.871 176.094 0.026 0.000 1.017 1140 V CA 0.279 62.599 62.300 0.035 0.000 1.062 1140 V CB 0.207 32.056 31.823 0.042 0.000 0.997 1140 V HN 0.487 nan 8.190 nan 0.000 0.476 1141 N N 3.260 121.973 118.700 0.023 0.000 2.392 1141 N HA -0.080 4.660 4.740 0.000 0.000 0.177 1141 N C 1.370 176.889 175.510 0.014 0.000 1.066 1141 N CA 0.850 53.909 53.050 0.016 0.000 0.895 1141 N CB 0.011 38.506 38.487 0.014 0.000 0.988 1141 N HN 0.622 nan 8.380 nan 0.000 0.457 1142 S N -0.538 115.172 115.700 0.017 0.000 2.597 1142 S HA 0.190 4.660 4.470 0.000 0.000 0.224 1142 S C 1.403 176.015 174.600 0.020 0.000 0.955 1142 S CA -0.571 57.637 58.200 0.013 0.000 0.933 1142 S CB -0.278 62.928 63.200 0.009 0.000 0.788 1142 S HN 0.152 nan 8.310 nan 0.000 0.488 1143 L N 2.619 123.857 121.223 0.025 0.000 2.005 1143 L HA 0.224 4.564 4.340 0.000 0.000 0.207 1143 L C -1.176 175.710 176.870 0.025 0.000 1.072 1143 L CA 1.589 56.448 54.840 0.032 0.000 0.744 1143 L CB -1.342 40.734 42.059 0.029 0.000 0.895 1143 L HN 0.111 nan 8.230 nan 0.000 0.433 1144 P HA -0.108 nan 4.420 nan 0.000 0.216 1144 P C 1.607 178.912 177.300 0.008 0.000 1.150 1144 P CA 1.826 64.931 63.100 0.009 0.000 0.837 1144 P CB -0.396 31.306 31.700 0.004 0.000 0.786 1145 G N -0.793 108.011 108.800 0.007 0.000 2.402 1145 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 1145 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 1145 G C 1.872 176.774 174.900 0.003 0.000 1.162 1145 G CA 1.062 46.163 45.100 0.001 0.000 0.777 1145 G HN 0.315 nan 8.290 nan 0.000 0.539 1146 S N 0.199 115.907 115.700 0.013 0.000 2.368 1146 S HA -0.043 4.428 4.470 0.000 0.000 0.225 1146 S C 2.425 177.058 174.600 0.055 0.000 1.030 1146 S CA 0.985 59.199 58.200 0.024 0.000 0.999 1146 S CB -0.294 62.945 63.200 0.064 0.000 0.844 1146 S HN 0.365 nan 8.310 nan 0.000 0.459 1147 I N 1.111 121.715 120.570 0.056 0.000 2.264 1147 I HA -0.167 4.003 4.170 0.000 0.000 0.248 1147 I C 2.493 178.633 176.117 0.038 0.000 1.111 1147 I CA 1.506 62.838 61.300 0.054 0.000 1.382 1147 I CB -0.818 37.196 38.000 0.023 0.000 1.060 1147 I HN 0.346 nan 8.210 nan 0.000 0.418 1148 T N 0.534 115.101 114.554 0.020 0.000 2.812 1148 T HA -0.099 4.251 4.350 0.000 0.000 0.264 1148 T C 1.957 176.670 174.700 0.022 0.000 1.042 1148 T CA 0.846 62.954 62.100 0.013 0.000 1.140 1148 T CB -0.041 68.829 68.868 0.003 0.000 0.870 1148 T HN 0.164 nan 8.240 nan 0.000 0.445 1149 K N 1.829 122.237 120.400 0.013 0.000 2.009 1149 K HA 0.023 4.343 4.320 0.000 0.000 0.210 1149 K C 2.624 179.249 176.600 0.041 0.000 1.049 1149 K CA 1.543 57.831 56.287 0.003 0.000 0.929 1149 K CB -0.995 31.475 32.500 -0.050 0.000 0.714 1149 K HN 0.370 nan 8.250 nan 0.000 0.440 1150 A N 1.006 123.860 122.820 0.056 0.000 1.933 1150 A HA -0.085 4.235 4.320 0.000 0.000 0.218 1150 A C 2.496 180.193 177.584 0.190 0.000 1.175 1150 A CA 2.131 54.253 52.037 0.142 0.000 0.628 1150 A CB -1.071 18.070 19.000 0.235 0.000 0.814 1150 A HN 0.414 nan 8.150 nan 0.000 0.444 1151 G N -0.015 108.850 108.800 0.108 0.000 2.421 1151 G HA2 -0.237 3.723 3.960 0.000 0.000 0.216 1151 G HA3 -0.237 3.723 3.960 0.000 0.000 0.216 1151 G C 1.074 176.012 174.900 0.064 0.000 1.171 1151 G CA 1.192 46.331 45.100 0.064 0.000 0.775 1151 G HN 0.468 nan 8.290 nan 0.000 0.543 1152 D N -0.060 120.382 120.400 0.071 0.000 2.182 1152 D HA -0.110 4.530 4.640 0.000 0.000 0.201 1152 D C 1.883 178.242 176.300 0.099 0.000 0.986 1152 D CA 0.539 54.576 54.000 0.062 0.000 0.847 1152 D CB -0.328 40.505 40.800 0.055 0.000 0.942 1152 D HN 0.348 nan 8.370 nan 0.000 0.467 1153 F N 1.167 121.122 119.950 0.009 0.000 2.098 1153 F HA -0.054 4.473 4.527 0.000 0.000 0.294 1153 F C 2.028 177.857 175.800 0.047 0.000 1.107 1153 F CA 1.080 59.093 58.000 0.022 0.000 1.234 1153 F CB -0.356 38.655 39.000 0.018 0.000 1.002 1153 F HN -0.140 nan 8.300 nan 0.000 0.472 1154 L N 0.246 121.452 121.223 -0.028 0.000 2.083 1154 L HA -0.206 4.134 4.340 0.000 0.000 0.209 1154 L C 2.464 179.287 176.870 -0.079 0.000 1.083 1154 L CA 1.933 56.713 54.840 -0.100 0.000 0.752 1154 L CB -0.908 41.208 42.059 0.094 0.000 0.899 1154 L HN 0.295 nan 8.230 nan 0.000 0.433 1155 E N 0.436 120.601 120.200 -0.059 0.000 2.268 1155 E HA -0.163 4.187 4.350 0.000 0.000 0.195 1155 E C 1.982 178.558 176.600 -0.039 0.000 0.995 1155 E CA 0.834 57.203 56.400 -0.052 0.000 0.836 1155 E CB 0.135 29.799 29.700 -0.059 0.000 0.763 1155 E HN 0.463 nan 8.360 nan 0.000 0.491 1156 A N 0.414 123.181 122.820 -0.089 0.000 2.218 1156 A HA 0.052 4.372 4.320 0.000 0.000 0.209 1156 A C 1.115 178.633 177.584 -0.109 0.000 1.168 1156 A CA 0.266 52.253 52.037 -0.083 0.000 0.804 1156 A CB 0.220 19.175 19.000 -0.074 0.000 0.834 1156 A HN 0.179 nan 8.150 nan 0.000 0.482 1157 N N -2.483 116.121 118.700 -0.160 0.000 2.118 1157 N HA 0.075 4.815 4.740 0.000 0.000 0.226 1157 N C 0.618 176.093 175.510 -0.059 0.000 1.305 1157 N CA -0.124 52.835 53.050 -0.152 0.000 0.890 1157 N CB -0.137 38.162 38.487 -0.313 0.000 1.118 1157 N HN 0.482 nan 8.380 nan 0.000 0.511 1158 Y N 1.436 121.668 120.300 -0.113 0.000 2.421 1158 Y HA 0.065 4.615 4.550 0.000 0.000 0.292 1158 Y C 1.643 177.533 175.900 -0.017 0.000 1.136 1158 Y CA 1.239 59.308 58.100 -0.052 0.000 1.255 1158 Y CB 0.253 38.689 38.460 -0.040 0.000 0.991 1158 Y HN -0.099 nan 8.280 nan 0.000 0.552 1159 M N -0.072 119.568 119.600 0.067 0.000 2.561 1159 M HA 0.024 4.504 4.480 0.000 0.000 0.238 1159 M C 0.200 176.480 176.300 -0.032 0.000 1.131 1159 M CA 0.645 55.961 55.300 0.025 0.000 1.046 1159 M CB -0.484 32.147 32.600 0.050 0.000 1.532 1159 M HN 0.283 nan 8.290 nan 0.000 0.497 1160 N N 0.041 118.704 118.700 -0.061 0.000 2.171 1160 N HA 0.264 5.004 4.740 0.000 0.000 0.212 1160 N C 0.206 175.674 175.510 -0.070 0.000 1.184 1160 N CA 0.026 53.044 53.050 -0.054 0.000 0.888 1160 N CB 0.956 39.418 38.487 -0.041 0.000 1.038 1160 N HN 0.290 nan 8.380 nan 0.000 0.517 1161 L N 0.769 121.919 121.223 -0.121 0.000 2.467 1161 L HA 0.086 4.426 4.340 0.000 0.000 0.270 1161 L C 1.394 178.218 176.870 -0.076 0.000 1.205 1161 L CA 0.199 54.971 54.840 -0.114 0.000 0.828 1161 L CB 0.648 42.581 42.059 -0.210 0.000 1.101 1161 L HN -0.015 nan 8.230 nan 0.000 0.479 1162 Q N 0.909 120.687 119.800 -0.037 0.000 2.534 1162 Q HA 0.207 4.547 4.340 0.000 0.000 0.252 1162 Q C 0.196 176.197 176.000 0.002 0.000 0.850 1162 Q CA 0.396 56.187 55.803 -0.020 0.000 0.974 1162 Q CB 0.527 29.258 28.738 -0.011 0.000 1.205 1162 Q HN 0.534 nan 8.270 nan 0.000 0.593 1163 R N 0.950 121.467 120.500 0.029 0.000 2.389 1163 R HA 0.253 4.593 4.340 0.000 0.000 0.295 1163 R C 1.156 177.521 176.300 0.108 0.000 1.075 1163 R CA -0.006 56.139 56.100 0.074 0.000 1.005 1163 R CB 0.719 31.086 30.300 0.112 0.000 0.987 1163 R HN 0.018 nan 8.270 nan 0.000 0.452 1164 S N 1.786 117.566 115.700 0.134 0.000 2.419 1164 S HA -0.192 4.278 4.470 0.000 0.000 0.233 1164 S C 1.456 176.210 174.600 0.256 0.000 1.016 1164 S CA 1.027 59.346 58.200 0.199 0.000 0.974 1164 S CB -0.238 63.073 63.200 0.185 0.000 0.786 1164 S HN 0.649 nan 8.310 nan 0.000 0.492 1165 Y N 2.686 123.066 120.300 0.133 0.000 2.133 1165 Y HA -0.198 4.352 4.550 0.000 0.000 0.287 1165 Y C 2.574 178.522 175.900 0.080 0.000 1.134 1165 Y CA 1.953 60.128 58.100 0.125 0.000 1.133 1165 Y CB -0.938 37.608 38.460 0.143 0.000 0.987 1165 Y HN 0.159 nan 8.280 nan 0.000 0.502 1166 T N -0.158 114.523 114.554 0.212 0.000 2.759 1166 T HA -0.185 4.165 4.350 0.000 0.000 0.269 1166 T C 2.008 176.718 174.700 0.017 0.000 1.042 1166 T CA 1.609 63.767 62.100 0.096 0.000 1.140 1166 T CB -0.724 68.224 68.868 0.134 0.000 0.864 1166 T HN 0.231 nan 8.240 nan 0.000 0.455 1167 V N 1.474 121.403 119.914 0.025 0.000 2.407 1167 V HA -0.151 3.969 4.120 0.000 0.000 0.248 1167 V C 2.802 179.050 176.094 0.257 0.000 1.055 1167 V CA 1.639 63.961 62.300 0.036 0.000 1.049 1167 V CB -1.104 30.751 31.823 0.053 0.000 0.662 1167 V HN 0.543 nan 8.190 nan 0.000 0.455 1168 A N -0.312 122.555 122.820 0.078 0.000 1.874 1168 A HA -0.091 4.229 4.320 0.000 0.000 0.214 1168 A C 2.233 179.823 177.584 0.011 0.000 1.189 1168 A CA 1.639 53.688 52.037 0.020 0.000 0.615 1168 A CB -0.445 18.394 19.000 -0.268 0.000 0.830 1168 A HN 0.471 nan 8.150 nan 0.000 0.443 1169 I N -0.713 119.702 120.570 -0.258 0.000 2.394 1169 I HA -0.161 4.009 4.170 0.000 0.000 0.251 1169 I C 2.408 178.502 176.117 -0.038 0.000 1.136 1169 I CA 1.275 62.337 61.300 -0.398 0.000 1.425 1169 I CB -0.049 37.503 38.000 -0.748 0.000 1.079 1169 I HN 0.307 nan 8.210 nan 0.000 0.425 1170 A N 0.221 123.088 122.820 0.078 0.000 2.021 1170 A HA 0.079 4.399 4.320 0.000 0.000 0.216 1170 A C 2.275 179.953 177.584 0.157 0.000 1.163 1170 A CA 1.024 53.171 52.037 0.184 0.000 0.676 1170 A CB -1.096 18.084 19.000 0.299 0.000 0.818 1170 A HN 0.484 nan 8.150 nan 0.000 0.453 1171 G N -1.467 107.468 108.800 0.224 0.000 2.408 1171 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 1171 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 1171 G C 1.505 176.247 174.900 -0.263 0.000 1.150 1171 G CA 1.233 46.251 45.100 -0.136 0.000 0.776 1171 G HN 0.559 nan 8.290 nan 0.000 0.542 1172 Y N 2.023 122.211 120.300 -0.187 0.000 2.373 1172 Y HA 0.209 4.759 4.550 0.000 0.000 0.293 1172 Y C 2.719 178.563 175.900 -0.093 0.000 1.129 1172 Y CA 0.693 58.713 58.100 -0.134 0.000 1.226 1172 Y CB -0.215 38.262 38.460 0.028 0.000 1.000 1172 Y HN 0.231 nan 8.280 nan 0.000 0.549 1173 A N 0.032 122.767 122.820 -0.142 0.000 1.929 1173 A HA -0.067 4.253 4.320 0.000 0.000 0.216 1173 A C 2.139 179.592 177.584 -0.218 0.000 1.176 1173 A CA 1.593 53.517 52.037 -0.190 0.000 0.628 1173 A CB -0.872 18.109 19.000 -0.031 0.000 0.816 1173 A HN 0.508 nan 8.150 nan 0.000 0.444 1174 L N -1.165 119.923 121.223 -0.225 0.000 2.341 1174 L HA 0.010 4.350 4.340 0.000 0.000 0.214 1174 L C 2.886 179.594 176.870 -0.272 0.000 1.115 1174 L CA 0.636 55.328 54.840 -0.246 0.000 0.820 1174 L CB -0.384 41.479 42.059 -0.328 0.000 0.944 1174 L HN 0.401 nan 8.230 nan 0.000 0.452 1175 A N -0.120 122.509 122.820 -0.318 0.000 1.930 1175 A HA -0.198 4.122 4.320 0.000 0.000 0.217 1175 A C 2.183 179.614 177.584 -0.255 0.000 1.175 1175 A CA 1.144 53.008 52.037 -0.288 0.000 0.627 1175 A CB -0.317 18.517 19.000 -0.277 0.000 0.815 1175 A HN 0.438 nan 8.150 nan 0.000 0.443 1176 Q N -1.027 118.573 119.800 -0.333 0.000 2.364 1176 Q HA -0.004 4.336 4.340 0.000 0.000 0.207 1176 Q C 1.632 177.525 176.000 -0.178 0.000 0.970 1176 Q CA 1.267 56.903 55.803 -0.279 0.000 0.888 1176 Q CB -0.191 28.329 28.738 -0.363 0.000 0.951 1176 Q HN 0.736 nan 8.270 nan 0.000 0.469 1177 M N -1.648 117.851 119.600 -0.168 0.000 2.382 1177 M HA 0.193 4.673 4.480 0.000 0.000 0.247 1177 M C 0.965 177.199 176.300 -0.110 0.000 1.104 1177 M CA 0.487 55.716 55.300 -0.119 0.000 1.030 1177 M CB 0.837 33.374 32.600 -0.106 0.000 1.424 1177 M HN 0.282 nan 8.290 nan 0.000 0.486 1178 G N 1.966 110.687 108.800 -0.131 0.000 2.168 1178 G HA2 -0.292 3.668 3.960 0.000 0.000 0.257 1178 G HA3 -0.292 3.668 3.960 0.000 0.000 0.257 1178 G C 0.602 175.432 174.900 -0.116 0.000 0.997 1178 G CA 0.285 45.316 45.100 -0.116 0.000 0.708 1178 G HN 0.535 nan 8.290 nan 0.000 0.520 1179 R N -1.019 119.399 120.500 -0.137 0.000 2.480 1179 R HA 0.337 4.677 4.340 0.000 0.000 0.277 1179 R C 0.500 176.693 176.300 -0.179 0.000 1.008 1179 R CA -0.305 55.716 56.100 -0.131 0.000 1.090 1179 R CB 0.331 30.562 30.300 -0.114 0.000 1.234 1179 R HN 0.279 nan 8.270 nan 0.000 0.549 1180 L N 1.601 122.699 121.223 -0.208 0.000 2.494 1180 L HA 0.307 4.647 4.340 0.000 0.000 0.251 1180 L C -0.760 176.006 176.870 -0.173 0.000 1.119 1180 L CA 0.064 54.746 54.840 -0.263 0.000 1.026 1180 L CB -0.089 41.753 42.059 -0.361 0.000 1.370 1180 L HN -0.082 nan 8.230 nan 0.000 0.426 1181 K N 1.169 121.495 120.400 -0.124 0.000 2.409 1181 K HA 0.866 5.186 4.320 0.000 0.000 0.252 1181 K C 0.504 177.077 176.600 -0.045 0.000 1.036 1181 K CA -0.644 55.599 56.287 -0.074 0.000 0.871 1181 K CB 1.336 33.800 32.500 -0.061 0.000 1.374 1181 K HN 0.384 nan 8.250 nan 0.000 0.459 1182 G N 0.927 109.713 108.800 -0.024 0.000 2.611 1182 G HA2 -0.284 3.676 3.960 0.000 0.000 0.301 1182 G HA3 -0.284 3.676 3.960 0.000 0.000 0.301 1182 G C -1.754 173.153 174.900 0.012 0.000 1.233 1182 G CA 0.269 45.365 45.100 -0.007 0.000 0.993 1182 G HN 0.509 nan 8.290 nan 0.000 0.553 1183 P HA -0.005 nan 4.420 nan 0.000 0.216 1183 P C 2.297 179.651 177.300 0.091 0.000 1.150 1183 P CA 1.608 64.736 63.100 0.046 0.000 0.837 1183 P CB -0.120 31.604 31.700 0.040 0.000 0.786 1184 L N -1.465 119.808 121.223 0.083 0.000 2.017 1184 L HA -0.155 4.185 4.340 0.000 0.000 0.208 1184 L C 2.372 179.332 176.870 0.150 0.000 1.073 1184 L CA 1.585 56.509 54.840 0.140 0.000 0.745 1184 L CB -1.798 40.214 42.059 -0.078 0.000 0.894 1184 L HN -0.042 nan 8.230 nan 0.000 0.432 1185 L N -0.226 121.022 121.223 0.042 0.000 2.083 1185 L HA -0.182 4.158 4.340 0.000 0.000 0.209 1185 L C 2.271 179.227 176.870 0.142 0.000 1.083 1185 L CA 1.569 56.447 54.840 0.064 0.000 0.752 1185 L CB -0.900 41.155 42.059 -0.007 0.000 0.899 1185 L HN 0.358 nan 8.230 nan 0.000 0.433 1186 N N 0.128 118.887 118.700 0.098 0.000 2.142 1186 N HA -0.249 4.491 4.740 0.000 0.000 0.186 1186 N C 1.940 177.508 175.510 0.097 0.000 1.023 1186 N CA 1.732 54.824 53.050 0.069 0.000 0.852 1186 N CB -0.153 38.358 38.487 0.040 0.000 0.998 1186 N HN 0.474 nan 8.380 nan 0.000 0.424 1187 K N -0.908 119.588 120.400 0.161 0.000 2.057 1187 K HA -0.137 4.183 4.320 0.000 0.000 0.206 1187 K C 2.040 178.774 176.600 0.224 0.000 1.050 1187 K CA 0.941 57.323 56.287 0.158 0.000 0.935 1187 K CB -0.411 32.190 32.500 0.168 0.000 0.715 1187 K HN 0.195 nan 8.250 nan 0.000 0.439 1188 F N 1.675 121.768 119.950 0.238 0.000 2.161 1188 F HA -0.165 4.362 4.527 0.000 0.000 0.300 1188 F C 1.527 177.513 175.800 0.310 0.000 1.089 1188 F CA 1.397 59.590 58.000 0.322 0.000 1.282 1188 F CB -0.010 39.167 39.000 0.295 0.000 1.010 1188 F HN -0.023 nan 8.300 nan 0.000 0.485 1189 L N -0.435 120.827 121.223 0.065 0.000 2.095 1189 L HA -0.110 4.230 4.340 0.000 0.000 0.204 1189 L C 2.566 179.275 176.870 -0.269 0.000 1.080 1189 L CA 1.496 56.193 54.840 -0.239 0.000 0.759 1189 L CB -1.249 40.625 42.059 -0.309 0.000 0.914 1189 L HN 0.252 nan 8.230 nan 0.000 0.439 1190 T N -4.600 109.869 114.554 -0.142 0.000 2.951 1190 T HA -0.125 4.225 4.350 0.000 0.000 0.268 1190 T C 1.791 176.379 174.700 -0.187 0.000 1.073 1190 T CA 1.408 63.426 62.100 -0.138 0.000 1.134 1190 T CB -0.580 68.246 68.868 -0.071 0.000 0.884 1190 T HN 0.141 nan 8.240 nan 0.000 0.479 1191 T N 2.514 116.961 114.554 -0.178 0.000 2.720 1191 T HA 0.146 4.496 4.350 0.000 0.000 0.268 1191 T C 1.184 175.604 174.700 -0.467 0.000 1.037 1191 T CA 0.996 62.973 62.100 -0.205 0.000 1.144 1191 T CB -0.768 68.081 68.868 -0.032 0.000 0.864 1191 T HN 0.739 nan 8.240 nan 0.000 0.444 1192 A N 2.247 124.534 122.820 -0.889 0.000 2.522 1192 A HA 0.256 4.576 4.320 0.000 0.000 0.256 1192 A C 0.386 177.586 177.584 -0.640 0.000 1.086 1192 A CA -0.102 51.173 52.037 -1.270 0.000 0.763 1192 A CB -0.133 17.684 19.000 -1.971 0.000 1.024 1192 A HN 0.391 nan 8.150 nan 0.000 0.502 1193 K N 2.421 122.508 120.400 -0.521 0.000 2.298 1193 K HA 0.191 4.511 4.320 0.000 0.000 0.280 1193 K C -0.460 175.942 176.600 -0.330 0.000 1.032 1193 K CA 0.018 56.104 56.287 -0.335 0.000 0.958 1193 K CB 0.241 32.586 32.500 -0.258 0.000 0.978 1193 K HN 0.738 nan 8.250 nan 0.000 0.472 1194 D N 2.909 123.174 120.400 -0.225 0.000 3.077 1194 D HA -0.197 4.443 4.640 0.000 0.000 0.217 1194 D C -0.853 175.316 176.300 -0.219 0.000 1.162 1194 D CA 1.333 55.220 54.000 -0.188 0.000 0.943 1194 D CB -0.870 39.823 40.800 -0.178 0.000 1.122 1194 D HN 0.861 nan 8.370 nan 0.000 0.413 1195 K N -1.078 119.176 120.400 -0.243 0.000 3.257 1195 K HA -0.267 4.053 4.320 0.000 0.000 0.270 1195 K C 0.427 176.728 176.600 -0.498 0.000 0.984 1195 K CA 1.141 57.302 56.287 -0.211 0.000 0.739 1195 K CB -1.453 31.028 32.500 -0.031 0.000 1.351 1195 K HN 0.587 nan 8.250 nan 0.000 0.463 1196 N N -0.879 117.503 118.700 -0.530 0.000 1.872 1196 N HA -0.025 4.715 4.740 0.000 0.000 0.223 1196 N C -0.533 174.630 175.510 -0.579 0.000 1.424 1196 N CA -0.155 52.618 53.050 -0.462 0.000 0.710 1196 N CB 0.354 38.654 38.487 -0.312 0.000 1.074 1196 N HN 0.477 nan 8.380 nan 0.000 0.544 1197 R N -1.067 118.958 120.500 -0.792 0.000 2.604 1197 R HA 0.310 4.651 4.340 0.000 0.000 0.261 1197 R C -1.727 174.208 176.300 -0.607 0.000 1.080 1197 R CA -0.763 54.829 56.100 -0.846 0.000 0.917 1197 R CB 0.480 29.732 30.300 -1.746 0.000 1.252 1197 R HN -0.010 nan 8.270 nan 0.000 0.456 1198 W N 3.916 125.013 121.300 -0.338 0.000 1.928 1198 W HA 0.184 4.844 4.660 0.000 0.000 0.341 1198 W C -0.259 176.200 176.519 -0.099 0.000 0.789 1198 W CA -0.334 56.905 57.345 -0.177 0.000 1.680 1198 W CB 0.845 30.242 29.460 -0.104 0.000 1.882 1198 W HN 0.685 nan 8.180 nan 0.000 0.315 1199 E N 0.583 120.770 120.200 -0.023 0.000 2.283 1199 E HA 0.360 4.710 4.350 0.000 0.000 0.271 1199 E C -0.716 175.919 176.600 0.059 0.000 1.031 1199 E CA -0.522 55.901 56.400 0.039 0.000 0.868 1199 E CB 1.606 31.293 29.700 -0.020 0.000 1.094 1199 E HN -0.064 nan 8.360 nan 0.000 0.401 1200 D N 2.321 122.775 120.400 0.090 0.000 2.646 1200 D HA 0.266 4.906 4.640 0.000 0.000 0.245 1200 D C -2.495 173.815 176.300 0.017 0.000 1.099 1200 D CA -1.960 52.071 54.000 0.051 0.000 0.849 1200 D CB 1.808 42.651 40.800 0.072 0.000 1.448 1200 D HN 0.268 nan 8.370 nan 0.000 0.489 1201 P HA 0.312 nan 4.420 nan 0.000 0.254 1201 P C -0.153 177.116 177.300 -0.051 0.000 1.186 1201 P CA 0.456 63.542 63.100 -0.022 0.000 0.868 1201 P CB 0.070 31.753 31.700 -0.029 0.000 0.856 1202 G N 1.874 110.651 108.800 -0.038 0.000 2.801 1202 G HA2 0.232 4.192 3.960 0.000 0.000 0.648 1202 G HA3 0.232 4.192 3.960 0.000 0.000 0.648 1202 G C -1.297 173.569 174.900 -0.057 0.000 1.415 1202 G CA -1.080 43.977 45.100 -0.072 0.000 0.887 1202 G HN 0.382 nan 8.290 nan 0.000 0.627 1203 K N -0.267 120.130 120.400 -0.005 0.000 0.847 1203 K HA -0.177 4.143 4.320 0.000 0.000 0.800 1203 K C 1.095 177.775 176.600 0.133 0.000 2.306 1203 K CA 1.425 57.764 56.287 0.087 0.000 1.514 1203 K CB -0.903 31.694 32.500 0.161 0.000 2.737 1203 K HN 0.904 nan 8.250 nan 0.000 0.219 1204 Q N -0.381 119.510 119.800 0.152 0.000 2.477 1204 Q HA 0.101 4.441 4.340 0.000 0.000 0.252 1204 Q C 1.825 177.861 176.000 0.060 0.000 0.869 1204 Q CA 0.306 56.164 55.803 0.091 0.000 0.969 1204 Q CB 0.099 28.857 28.738 0.034 0.000 1.144 1204 Q HN 0.417 nan 8.270 nan 0.000 0.577 1205 L N 0.419 121.687 121.223 0.074 0.000 2.081 1205 L HA -0.189 4.151 4.340 0.000 0.000 0.212 1205 L C 1.567 178.408 176.870 -0.049 0.000 1.080 1205 L CA 1.945 56.754 54.840 -0.052 0.000 0.754 1205 L CB -0.398 41.583 42.059 -0.130 0.000 0.893 1205 L HN 0.163 nan 8.230 nan 0.000 0.433 1206 Y N -0.679 119.627 120.300 0.009 0.000 2.516 1206 Y HA -0.034 4.516 4.550 0.000 0.000 0.291 1206 Y C 2.282 178.286 175.900 0.173 0.000 1.131 1206 Y CA 0.782 58.890 58.100 0.014 0.000 1.281 1206 Y CB -0.609 37.794 38.460 -0.095 0.000 1.013 1206 Y HN 0.336 nan 8.280 nan 0.000 0.554 1207 N N -0.452 118.423 118.700 0.292 0.000 2.245 1207 N HA -0.092 4.648 4.740 0.000 0.000 0.185 1207 N C 2.043 177.747 175.510 0.325 0.000 1.036 1207 N CA 1.257 54.490 53.050 0.305 0.000 0.857 1207 N CB -0.863 37.802 38.487 0.295 0.000 1.015 1207 N HN 0.087 nan 8.380 nan 0.000 0.436 1208 V N 1.890 121.918 119.914 0.189 0.000 2.332 1208 V HA -0.209 3.911 4.120 0.000 0.000 0.248 1208 V C 2.354 178.529 176.094 0.136 0.000 1.055 1208 V CA 1.748 64.107 62.300 0.099 0.000 1.038 1208 V CB -0.537 31.117 31.823 -0.281 0.000 0.651 1208 V HN 0.407 nan 8.190 nan 0.000 0.450 1209 E N 0.261 120.561 120.200 0.166 0.000 2.051 1209 E HA -0.228 4.122 4.350 0.000 0.000 0.192 1209 E C 2.260 179.088 176.600 0.380 0.000 0.991 1209 E CA 1.382 57.952 56.400 0.282 0.000 0.799 1209 E CB -0.240 29.690 29.700 0.383 0.000 0.748 1209 E HN 0.556 nan 8.360 nan 0.000 0.449 1210 A N 0.360 123.420 122.820 0.400 0.000 1.865 1210 A HA -0.189 4.131 4.320 0.000 0.000 0.217 1210 A C 2.421 180.084 177.584 0.132 0.000 1.191 1210 A CA 2.199 54.381 52.037 0.241 0.000 0.623 1210 A CB -1.125 18.095 19.000 0.367 0.000 0.826 1210 A HN 0.366 nan 8.150 nan 0.000 0.444 1211 T N 0.175 114.858 114.554 0.215 0.000 2.833 1211 T HA -0.103 4.247 4.350 0.000 0.000 0.269 1211 T C 2.198 176.923 174.700 0.041 0.000 1.054 1211 T CA 1.566 63.779 62.100 0.189 0.000 1.135 1211 T CB -0.295 68.811 68.868 0.397 0.000 0.869 1211 T HN 0.488 nan 8.240 nan 0.000 0.466 1212 S N 0.461 116.189 115.700 0.047 0.000 2.356 1212 S HA -0.072 4.398 4.470 0.000 0.000 0.223 1212 S C 1.744 176.210 174.600 -0.223 0.000 1.032 1212 S CA 1.011 59.157 58.200 -0.091 0.000 1.005 1212 S CB -0.511 62.612 63.200 -0.127 0.000 0.867 1212 S HN 0.545 nan 8.310 nan 0.000 0.449 1213 Y N 1.755 121.932 120.300 -0.205 0.000 2.207 1213 Y HA -0.148 4.402 4.550 0.000 0.000 0.287 1213 Y C 2.634 178.357 175.900 -0.295 0.000 1.156 1213 Y CA 0.881 58.801 58.100 -0.300 0.000 1.182 1213 Y CB -0.604 37.737 38.460 -0.198 0.000 0.979 1213 Y HN 0.282 nan 8.280 nan 0.000 0.521 1214 A N -0.482 122.215 122.820 -0.205 0.000 1.930 1214 A HA -0.150 4.170 4.320 0.000 0.000 0.217 1214 A C 2.128 179.625 177.584 -0.144 0.000 1.175 1214 A CA 1.448 53.273 52.037 -0.353 0.000 0.627 1214 A CB -0.952 17.001 19.000 -1.745 0.000 0.815 1214 A HN 0.415 nan 8.150 nan 0.000 0.443 1215 L N -0.083 121.051 121.223 -0.148 0.000 2.017 1215 L HA -0.082 4.258 4.340 0.000 0.000 0.208 1215 L C 2.194 179.051 176.870 -0.022 0.000 1.073 1215 L CA 1.696 56.525 54.840 -0.019 0.000 0.745 1215 L CB -0.624 41.422 42.059 -0.022 0.000 0.894 1215 L HN 0.389 nan 8.230 nan 0.000 0.432 1216 L N -0.638 120.480 121.223 -0.176 0.000 2.191 1216 L HA -0.168 4.172 4.340 0.000 0.000 0.212 1216 L C 2.577 179.471 176.870 0.041 0.000 1.103 1216 L CA 0.987 55.687 54.840 -0.234 0.000 0.769 1216 L CB -0.823 40.724 42.059 -0.854 0.000 0.908 1216 L HN 0.410 nan 8.230 nan 0.000 0.438 1217 A N 0.066 122.939 122.820 0.089 0.000 1.897 1217 A HA -0.089 4.231 4.320 0.000 0.000 0.215 1217 A C 2.215 179.820 177.584 0.034 0.000 1.181 1217 A CA 0.987 53.110 52.037 0.144 0.000 0.620 1217 A CB -0.483 18.459 19.000 -0.097 0.000 0.821 1217 A HN 0.325 nan 8.150 nan 0.000 0.443 1218 L N -0.468 120.818 121.223 0.106 0.000 2.046 1218 L HA -0.167 4.173 4.340 0.000 0.000 0.208 1218 L C 2.450 179.281 176.870 -0.065 0.000 1.077 1218 L CA 1.049 55.948 54.840 0.099 0.000 0.747 1218 L CB -0.587 41.617 42.059 0.241 0.000 0.896 1218 L HN 0.356 nan 8.230 nan 0.000 0.432 1219 L N -0.688 120.530 121.223 -0.008 0.000 2.201 1219 L HA -0.189 4.151 4.340 0.000 0.000 0.212 1219 L C 2.576 179.416 176.870 -0.050 0.000 1.105 1219 L CA 0.719 55.537 54.840 -0.037 0.000 0.775 1219 L CB -0.385 41.763 42.059 0.148 0.000 0.913 1219 L HN 0.289 nan 8.230 nan 0.000 0.440 1220 Q N 0.627 120.432 119.800 0.008 0.000 2.172 1220 Q HA -0.074 4.266 4.340 0.000 0.000 0.200 1220 Q C 1.905 177.861 176.000 -0.074 0.000 0.964 1220 Q CA 1.320 57.124 55.803 0.002 0.000 0.855 1220 Q CB -0.003 28.759 28.738 0.040 0.000 0.918 1220 Q HN 0.495 nan 8.270 nan 0.000 0.444 1221 L N -0.029 121.123 121.223 -0.117 0.000 2.591 1221 L HA 0.159 4.499 4.340 0.000 0.000 0.228 1221 L C 0.208 176.965 176.870 -0.189 0.000 1.133 1221 L CA 0.160 54.920 54.840 -0.133 0.000 0.880 1221 L CB -0.054 41.933 42.059 -0.120 0.000 1.033 1221 L HN 0.154 nan 8.230 nan 0.000 0.450 1222 K N -0.165 120.028 120.400 -0.344 0.000 3.088 1222 K HA -0.235 4.085 4.320 0.000 0.000 0.273 1222 K C 0.046 176.240 176.600 -0.678 0.000 1.111 1222 K CA 0.877 56.786 56.287 -0.631 0.000 0.803 1222 K CB -1.266 31.173 32.500 -0.101 0.000 1.226 1222 K HN 0.200 nan 8.250 nan 0.000 0.485 1223 D N 0.419 120.516 120.400 -0.505 0.000 2.631 1223 D HA 0.119 4.759 4.640 0.000 0.000 0.227 1223 D C 0.178 176.391 176.300 -0.144 0.000 1.146 1223 D CA -0.477 53.405 54.000 -0.197 0.000 1.009 1223 D CB -0.289 40.494 40.800 -0.028 0.000 1.057 1223 D HN 0.126 nan 8.370 nan 0.000 0.509 1224 F N 0.221 120.247 119.950 0.128 0.000 2.795 1224 F HA 0.110 4.637 4.527 0.000 0.000 0.303 1224 F C 1.446 177.329 175.800 0.138 0.000 1.186 1224 F CA -0.054 58.026 58.000 0.133 0.000 1.415 1224 F CB 0.155 39.197 39.000 0.071 0.000 1.106 1224 F HN 0.120 nan 8.300 nan 0.000 0.558 1225 D N -1.178 119.380 120.400 0.264 0.000 2.346 1225 D HA -0.030 4.610 4.640 0.000 0.000 0.206 1225 D C 1.436 177.888 176.300 0.253 0.000 1.001 1225 D CA 0.652 54.788 54.000 0.226 0.000 0.871 1225 D CB -0.050 40.862 40.800 0.188 0.000 0.943 1225 D HN 0.299 nan 8.370 nan 0.000 0.518 1226 F N 0.119 120.139 119.950 0.116 0.000 2.706 1226 F HA 0.129 4.656 4.527 0.000 0.000 0.308 1226 F C 1.562 177.447 175.800 0.141 0.000 1.095 1226 F CA 0.096 58.163 58.000 0.112 0.000 1.244 1226 F CB 0.477 39.547 39.000 0.117 0.000 1.063 1226 F HN -0.282 nan 8.300 nan 0.000 0.582 1227 V N 1.933 121.981 119.914 0.224 0.000 2.323 1227 V HA -0.119 4.001 4.120 0.000 0.000 0.244 1227 V C -0.421 175.722 176.094 0.083 0.000 1.041 1227 V CA 1.773 64.192 62.300 0.198 0.000 1.025 1227 V CB -1.668 30.356 31.823 0.335 0.000 0.656 1227 V HN 0.129 nan 8.190 nan 0.000 0.451 1228 P HA -0.137 nan 4.420 nan 0.000 0.216 1228 P C -1.378 175.903 177.300 -0.031 0.000 1.157 1228 P CA 2.076 65.211 63.100 0.058 0.000 0.880 1228 P CB -1.329 30.421 31.700 0.083 0.000 0.791 1229 P HA -0.107 nan 4.420 nan 0.000 0.216 1229 P C 1.602 178.844 177.300 -0.096 0.000 1.150 1229 P CA 1.085 64.096 63.100 -0.149 0.000 0.837 1229 P CB -0.427 31.072 31.700 -0.334 0.000 0.786 1230 V N -0.468 119.385 119.914 -0.102 0.000 2.255 1230 V HA -0.178 3.942 4.120 0.000 0.000 0.243 1230 V C 2.483 178.629 176.094 0.086 0.000 1.038 1230 V CA 1.670 64.000 62.300 0.050 0.000 1.008 1230 V CB -1.313 30.604 31.823 0.158 0.000 0.645 1230 V HN -0.070 nan 8.190 nan 0.000 0.449 1231 V N 0.320 120.199 119.914 -0.057 0.000 2.380 1231 V HA -0.320 3.800 4.120 0.000 0.000 0.251 1231 V C 2.578 178.613 176.094 -0.098 0.000 1.063 1231 V CA 2.523 64.704 62.300 -0.198 0.000 1.055 1231 V CB -0.891 30.567 31.823 -0.608 0.000 0.657 1231 V HN 0.513 nan 8.190 nan 0.000 0.455 1232 R N -1.325 119.154 120.500 -0.036 0.000 2.096 1232 R HA -0.242 4.098 4.340 0.000 0.000 0.235 1232 R C 2.144 178.472 176.300 0.047 0.000 1.127 1232 R CA 2.098 58.200 56.100 0.002 0.000 0.968 1232 R CB -0.354 29.957 30.300 0.019 0.000 0.861 1232 R HN 0.656 nan 8.270 nan 0.000 0.440 1233 W N 0.947 122.197 121.300 -0.083 0.000 2.388 1233 W HA -0.090 4.570 4.660 0.000 0.000 0.294 1233 W C 1.399 177.877 176.519 -0.069 0.000 1.212 1233 W CA 1.138 58.444 57.345 -0.066 0.000 1.271 1233 W CB -0.134 29.292 29.460 -0.056 0.000 1.126 1233 W HN 0.032 nan 8.180 nan 0.000 0.535 1234 L N 0.651 121.843 121.223 -0.051 0.000 2.027 1234 L HA -0.239 4.101 4.340 0.000 0.000 0.206 1234 L C 2.233 178.922 176.870 -0.302 0.000 1.074 1234 L CA 1.456 56.142 54.840 -0.256 0.000 0.745 1234 L CB -1.138 40.859 42.059 -0.103 0.000 0.898 1234 L HN -0.042 nan 8.230 nan 0.000 0.433 1235 N N 0.293 118.878 118.700 -0.193 0.000 2.223 1235 N HA -0.162 4.578 4.740 0.000 0.000 0.185 1235 N C 1.341 176.748 175.510 -0.172 0.000 1.016 1235 N CA 1.059 54.013 53.050 -0.159 0.000 0.863 1235 N CB -0.163 38.278 38.487 -0.076 0.000 0.983 1235 N HN 0.420 nan 8.380 nan 0.000 0.429 1236 E N -0.019 120.067 120.200 -0.190 0.000 2.445 1236 E HA -0.006 4.344 4.350 0.000 0.000 0.189 1236 E C 1.140 177.578 176.600 -0.271 0.000 1.069 1236 E CA -0.009 56.286 56.400 -0.175 0.000 0.871 1236 E CB 0.200 29.833 29.700 -0.112 0.000 0.991 1236 E HN 0.401 nan 8.360 nan 0.000 0.481 1237 Q N 0.459 120.031 119.800 -0.380 0.000 2.280 1237 Q HA 0.119 4.459 4.340 0.000 0.000 0.244 1237 Q C -0.396 175.419 176.000 -0.308 0.000 0.847 1237 Q CA -0.145 55.406 55.803 -0.421 0.000 0.945 1237 Q CB 0.583 28.893 28.738 -0.713 0.000 1.115 1237 Q HN -0.026 nan 8.270 nan 0.000 0.513 1238 R N 0.739 121.040 120.500 -0.332 0.000 2.877 1238 R HA -0.244 4.096 4.340 0.000 0.000 0.275 1238 R C -1.740 174.264 176.300 -0.494 0.000 0.924 1238 R CA 0.505 56.325 56.100 -0.465 0.000 0.715 1238 R CB -1.376 28.746 30.300 -0.297 0.000 1.761 1238 R HN 0.335 nan 8.270 nan 0.000 0.498 1239 Y N 2.750 122.658 120.300 -0.653 0.000 2.526 1239 Y HA 0.286 4.836 4.550 0.000 0.000 0.328 1239 Y C -0.596 175.080 175.900 -0.374 0.000 0.995 1239 Y CA -1.072 56.767 58.100 -0.435 0.000 1.304 1239 Y CB 0.546 38.829 38.460 -0.295 0.000 1.096 1239 Y HN 0.315 nan 8.280 nan 0.000 0.499 1240 Y N 4.280 124.434 120.300 -0.242 0.000 2.496 1240 Y HA 0.360 4.910 4.550 0.000 0.000 0.313 1240 Y C 1.503 177.409 175.900 0.011 0.000 1.184 1240 Y CA -0.018 58.106 58.100 0.039 0.000 1.275 1240 Y CB -0.343 38.245 38.460 0.212 0.000 1.103 1240 Y HN 0.841 nan 8.280 nan 0.000 0.513 1241 G N 0.166 108.608 108.800 -0.596 0.000 2.641 1241 G HA2 0.140 4.100 3.960 0.000 0.000 0.254 1241 G HA3 0.140 4.100 3.960 0.000 0.000 0.254 1241 G C 0.268 175.129 174.900 -0.065 0.000 1.315 1241 G CA 0.006 44.872 45.100 -0.389 0.000 0.907 1241 G HN 1.281 nan 8.290 nan 0.000 0.572 1242 G N -2.242 106.622 108.800 0.106 0.000 2.731 1242 G HA2 0.504 4.465 3.960 0.000 0.000 0.686 1242 G HA3 0.504 4.465 3.960 0.000 0.000 0.686 1242 G C 1.171 176.132 174.900 0.102 0.000 1.395 1242 G CA 0.614 45.804 45.100 0.151 0.000 0.870 1242 G HN 3.277 nan 8.290 nan 0.000 0.591 1243 G N -0.332 108.536 108.800 0.113 0.000 2.362 1243 G HA2 0.427 4.387 3.960 0.000 0.000 0.517 1243 G HA3 0.427 4.387 3.960 0.000 0.000 0.517 1243 G C -0.369 174.630 174.900 0.166 0.000 1.256 1243 G CA 0.120 45.300 45.100 0.132 0.000 1.027 1243 G HN 2.264 nan 8.290 nan 0.000 0.491 1244 Y N 1.711 122.053 120.300 0.071 0.000 2.336 1244 Y HA 0.442 4.992 4.550 0.000 0.000 0.335 1244 Y C 1.288 177.230 175.900 0.069 0.000 1.046 1244 Y CA 1.071 59.209 58.100 0.063 0.000 1.198 1244 Y CB 0.927 39.419 38.460 0.054 0.000 1.182 1244 Y HN 2.419 nan 8.280 nan 0.000 0.502 1245 G N 3.599 112.065 108.800 -0.558 0.000 2.198 1245 G HA2 -0.317 3.643 3.960 0.000 0.000 0.260 1245 G HA3 -0.317 3.643 3.960 0.000 0.000 0.260 1245 G C 0.470 175.294 174.900 -0.126 0.000 1.025 1245 G CA 0.678 45.509 45.100 -0.448 0.000 0.769 1245 G HN 1.215 nan 8.290 nan 0.000 0.507 1246 S N -1.497 114.200 115.700 -0.005 0.000 2.583 1246 S HA 0.315 4.785 4.470 0.000 0.000 0.239 1246 S C 1.685 176.380 174.600 0.159 0.000 0.966 1246 S CA 0.920 59.206 58.200 0.144 0.000 0.973 1246 S CB 0.438 63.778 63.200 0.233 0.000 0.794 1246 S HN 0.319 nan 8.310 nan 0.000 0.463 1247 T N 2.473 117.073 114.554 0.077 0.000 2.708 1247 T HA -0.086 4.264 4.350 0.000 0.000 0.266 1247 T C 1.940 176.792 174.700 0.252 0.000 1.037 1247 T CA 1.345 63.520 62.100 0.124 0.000 1.146 1247 T CB -0.182 68.688 68.868 0.003 0.000 0.865 1247 T HN 0.355 nan 8.240 nan 0.000 0.435 1248 Q N 0.590 120.523 119.800 0.222 0.000 2.062 1248 Q HA 0.146 4.486 4.340 0.000 0.000 0.196 1248 Q C 2.805 179.007 176.000 0.336 0.000 0.967 1248 Q CA 1.381 57.390 55.803 0.343 0.000 0.832 1248 Q CB -0.772 28.143 28.738 0.295 0.000 0.899 1248 Q HN 0.532 nan 8.270 nan 0.000 0.442 1249 A N 0.701 123.668 122.820 0.245 0.000 1.883 1249 A HA -0.199 4.121 4.320 0.000 0.000 0.217 1249 A C 2.377 180.171 177.584 0.349 0.000 1.186 1249 A CA 2.268 54.437 52.037 0.219 0.000 0.624 1249 A CB -1.008 18.053 19.000 0.101 0.000 0.822 1249 A HN 0.402 nan 8.150 nan 0.000 0.444 1250 T N -1.092 113.731 114.554 0.447 0.000 2.674 1250 T HA -0.134 4.216 4.350 0.000 0.000 0.265 1250 T C 1.617 176.603 174.700 0.478 0.000 1.039 1250 T CA 1.585 63.985 62.100 0.501 0.000 1.150 1250 T CB -0.402 68.699 68.868 0.388 0.000 0.864 1250 T HN 0.459 nan 8.240 nan 0.000 0.427 1251 F N 0.848 120.953 119.950 0.257 0.000 2.365 1251 F HA -0.003 4.524 4.527 0.000 0.000 0.300 1251 F C 1.962 177.825 175.800 0.106 0.000 1.090 1251 F CA 0.872 58.980 58.000 0.179 0.000 1.408 1251 F CB -0.166 38.942 39.000 0.180 0.000 1.060 1251 F HN 0.030 nan 8.300 nan 0.000 0.534 1252 M N -1.410 118.277 119.600 0.144 0.000 2.556 1252 M HA 0.036 4.516 4.480 0.000 0.000 0.264 1252 M C 2.385 178.607 176.300 -0.129 0.000 1.163 1252 M CA 0.727 55.975 55.300 -0.087 0.000 1.186 1252 M CB -1.272 31.271 32.600 -0.094 0.000 1.321 1252 M HN 0.064 nan 8.290 nan 0.000 0.485 1253 V N 0.336 120.211 119.914 -0.066 0.000 2.490 1253 V HA -0.229 3.891 4.120 0.000 0.000 0.250 1253 V C 1.880 177.774 176.094 -0.333 0.000 1.061 1253 V CA 1.825 64.002 62.300 -0.205 0.000 1.064 1253 V CB -0.405 31.274 31.823 -0.240 0.000 0.670 1253 V HN 0.269 nan 8.190 nan 0.000 0.461 1254 F N -0.460 119.424 119.950 -0.110 0.000 2.569 1254 F HA 0.098 4.625 4.527 0.000 0.000 0.295 1254 F C 2.369 178.160 175.800 -0.015 0.000 1.115 1254 F CA 1.234 59.149 58.000 -0.141 0.000 1.450 1254 F CB -0.255 38.625 39.000 -0.200 0.000 1.107 1254 F HN 0.161 nan 8.300 nan 0.000 0.563 1255 Q N 0.458 120.247 119.800 -0.019 0.000 2.172 1255 Q HA -0.092 4.248 4.340 0.000 0.000 0.200 1255 Q C 2.204 178.180 176.000 -0.040 0.000 0.964 1255 Q CA 1.279 57.005 55.803 -0.127 0.000 0.855 1255 Q CB -0.026 28.451 28.738 -0.435 0.000 0.918 1255 Q HN 0.363 nan 8.270 nan 0.000 0.444 1256 A N 0.466 123.242 122.820 -0.073 0.000 1.898 1256 A HA -0.023 4.297 4.320 0.000 0.000 0.214 1256 A C 1.946 179.582 177.584 0.087 0.000 1.183 1256 A CA 0.595 52.602 52.037 -0.049 0.000 0.622 1256 A CB -0.420 18.507 19.000 -0.122 0.000 0.824 1256 A HN 0.399 nan 8.150 nan 0.000 0.444 1257 L N -0.744 120.549 121.223 0.116 0.000 2.156 1257 L HA -0.108 4.232 4.340 0.000 0.000 0.208 1257 L C 2.977 180.085 176.870 0.396 0.000 1.095 1257 L CA 0.866 55.860 54.840 0.256 0.000 0.770 1257 L CB -0.474 41.718 42.059 0.222 0.000 0.914 1257 L HN 0.436 nan 8.230 nan 0.000 0.439 1258 A N -0.295 122.758 122.820 0.390 0.000 1.897 1258 A HA -0.229 4.091 4.320 0.000 0.000 0.215 1258 A C 2.213 179.866 177.584 0.115 0.000 1.181 1258 A CA 1.391 53.550 52.037 0.203 0.000 0.620 1258 A CB -0.393 18.769 19.000 0.270 0.000 0.821 1258 A HN 0.343 nan 8.150 nan 0.000 0.443 1259 Q N -1.601 118.294 119.800 0.160 0.000 2.291 1259 Q HA -0.154 4.186 4.340 0.000 0.000 0.205 1259 Q C 1.617 177.703 176.000 0.143 0.000 0.970 1259 Q CA 1.735 57.612 55.803 0.125 0.000 0.876 1259 Q CB -0.589 28.214 28.738 0.109 0.000 0.935 1259 Q HN 0.757 nan 8.270 nan 0.000 0.455 1260 Y N -0.176 120.163 120.300 0.065 0.000 2.314 1260 Y HA -0.074 4.476 4.550 0.000 0.000 0.293 1260 Y C 1.625 177.546 175.900 0.035 0.000 1.129 1260 Y CA 1.259 59.405 58.100 0.077 0.000 1.201 1260 Y CB 0.225 38.737 38.460 0.086 0.000 0.999 1260 Y HN 0.118 nan 8.280 nan 0.000 0.541 1261 Q N 0.546 120.326 119.800 -0.034 0.000 2.369 1261 Q HA -0.089 4.251 4.340 0.000 0.000 0.206 1261 Q C 1.561 177.447 176.000 -0.190 0.000 0.963 1261 Q CA 1.192 56.901 55.803 -0.156 0.000 0.894 1261 Q CB 0.014 28.691 28.738 -0.103 0.000 0.965 1261 Q HN 0.589 nan 8.270 nan 0.000 0.475 1262 K N -0.067 120.250 120.400 -0.139 0.000 2.244 1262 K HA 0.007 4.327 4.320 0.000 0.000 0.200 1262 K C 0.719 177.232 176.600 -0.144 0.000 1.052 1262 K CA 0.629 56.843 56.287 -0.122 0.000 0.980 1262 K CB 0.465 32.925 32.500 -0.066 0.000 0.838 1262 K HN 0.005 nan 8.250 nan 0.000 0.481 1263 D N 0.969 121.295 120.400 -0.123 0.000 2.339 1263 D HA 0.066 4.706 4.640 0.000 0.000 0.217 1263 D C -0.088 176.003 176.300 -0.348 0.000 1.050 1263 D CA 0.104 54.047 54.000 -0.095 0.000 0.856 1263 D CB 0.313 41.227 40.800 0.190 0.000 0.922 1263 D HN 0.082 nan 8.370 nan 0.000 0.518 1264 A N 2.259 124.793 122.820 -0.476 0.000 2.476 1264 A HA 0.344 4.664 4.320 0.000 0.000 0.275 1264 A C -2.187 175.062 177.584 -0.559 0.000 1.133 1264 A CA -0.809 50.850 52.037 -0.631 0.000 0.797 1264 A CB -0.119 18.406 19.000 -0.793 0.000 1.081 1264 A HN -0.088 nan 8.150 nan 0.000 0.510 1265 P HA 0.275 nan 4.420 nan 0.000 0.287 1265 P C -0.378 176.630 177.300 -0.487 0.000 1.294 1265 P CA -0.324 62.377 63.100 -0.665 0.000 0.776 1265 P CB 1.110 32.336 31.700 -0.789 0.000 0.889 1266 D N 1.194 121.292 120.400 -0.503 0.000 2.350 1266 D HA -0.069 4.571 4.640 0.000 0.000 0.216 1266 D C 0.867 177.033 176.300 -0.223 0.000 0.968 1266 D CA 1.484 55.307 54.000 -0.294 0.000 0.894 1266 D CB -0.086 40.592 40.800 -0.205 0.000 0.909 1266 D HN 0.677 nan 8.370 nan 0.000 0.520 1267 H N -2.475 116.379 119.070 -0.360 0.000 4.070 1267 H HA 0.386 4.942 4.556 0.000 0.000 0.383 1267 H C -0.845 174.367 175.328 -0.193 0.000 1.444 1267 H CA -1.052 54.840 56.048 -0.259 0.000 1.063 1267 H CB 0.463 29.981 29.762 -0.408 0.000 1.398 1267 H HN -0.123 nan 8.280 nan 0.000 0.826 1268 Q N -0.258 119.614 119.800 0.119 0.000 2.501 1268 Q HA 0.381 4.721 4.340 0.000 0.000 0.288 1268 Q C -1.261 174.861 176.000 0.203 0.000 1.051 1268 Q CA -1.156 54.689 55.803 0.070 0.000 0.788 1268 Q CB 2.395 31.189 28.738 0.093 0.000 1.469 1268 Q HN 0.613 nan 8.270 nan 0.000 0.416 1269 E N 1.139 121.403 120.200 0.106 0.000 2.757 1269 E HA -0.033 4.317 4.350 0.000 0.000 0.238 1269 E C -0.844 175.841 176.600 0.141 0.000 1.057 1269 E CA 0.144 56.618 56.400 0.123 0.000 0.952 1269 E CB 0.238 29.987 29.700 0.081 0.000 0.934 1269 E HN 0.277 nan 8.360 nan 0.000 0.518 1270 L N 5.125 126.455 121.223 0.178 0.000 2.360 1270 L HA 0.278 4.619 4.340 0.000 0.000 0.265 1270 L C -0.905 175.992 176.870 0.045 0.000 1.066 1270 L CA -0.208 54.710 54.840 0.131 0.000 0.929 1270 L CB 0.317 42.489 42.059 0.188 0.000 1.306 1270 L HN 0.263 nan 8.230 nan 0.000 0.434 1271 N N 4.590 123.277 118.700 -0.021 0.000 2.725 1271 N HA 0.288 5.028 4.740 0.000 0.000 0.248 1271 N C -1.686 173.758 175.510 -0.110 0.000 1.402 1271 N CA -0.279 52.675 53.050 -0.160 0.000 0.766 1271 N CB 0.427 38.855 38.487 -0.098 0.000 1.223 1271 N HN 0.469 nan 8.380 nan 0.000 0.515 1272 L N 0.753 121.916 121.223 -0.100 0.000 2.276 1272 L HA 0.349 4.689 4.340 0.000 0.000 0.286 1272 L C 0.301 177.147 176.870 -0.040 0.000 1.061 1272 L CA -0.551 54.264 54.840 -0.043 0.000 0.807 1272 L CB 1.047 43.097 42.059 -0.015 0.000 1.177 1272 L HN 0.284 nan 8.230 nan 0.000 0.429 1273 D N 3.172 123.565 120.400 -0.012 0.000 2.781 1273 D HA 0.156 4.796 4.640 0.000 0.000 0.254 1273 D C -0.497 175.821 176.300 0.030 0.000 1.213 1273 D CA -0.312 53.693 54.000 0.008 0.000 0.994 1273 D CB 0.498 41.303 40.800 0.009 0.000 1.019 1273 D HN 0.044 nan 8.370 nan 0.000 0.514 1274 V N 2.351 122.292 119.914 0.045 0.000 2.415 1274 V HA 0.217 4.337 4.120 0.000 0.000 0.267 1274 V C 0.505 176.649 176.094 0.084 0.000 1.042 1274 V CA -0.257 62.079 62.300 0.059 0.000 1.000 1274 V CB 0.607 32.463 31.823 0.055 0.000 1.015 1274 V HN 0.539 nan 8.190 nan 0.000 0.478 1275 S N 6.744 122.485 115.700 0.069 0.000 2.596 1275 S HA 0.780 5.250 4.470 0.000 0.000 0.318 1275 S C -0.790 173.855 174.600 0.076 0.000 1.097 1275 S CA -0.841 57.402 58.200 0.071 0.000 1.080 1275 S CB 1.312 64.540 63.200 0.045 0.000 0.991 1275 S HN 0.697 nan 8.310 nan 0.000 0.471 1276 L N 1.069 122.344 121.223 0.087 0.000 2.322 1276 L HA 0.707 5.047 4.340 0.000 0.000 0.281 1276 L C -0.504 176.411 176.870 0.074 0.000 1.014 1276 L CA -0.783 54.117 54.840 0.100 0.000 0.815 1276 L CB 1.518 43.642 42.059 0.109 0.000 1.247 1276 L HN 0.766 nan 8.230 nan 0.000 0.421 1277 Q N 2.827 122.685 119.800 0.096 0.000 2.337 1277 Q HA 0.598 4.938 4.340 0.000 0.000 0.266 1277 Q C -1.742 174.319 176.000 0.102 0.000 1.023 1277 Q CA -0.854 54.991 55.803 0.071 0.000 0.829 1277 Q CB 2.247 31.020 28.738 0.058 0.000 1.306 1277 Q HN 0.742 nan 8.270 nan 0.000 0.449 1278 L N 5.709 126.967 121.223 0.058 0.000 2.325 1278 L HA 0.419 4.759 4.340 0.000 0.000 0.278 1278 L C -1.785 175.123 176.870 0.064 0.000 1.023 1278 L CA -1.890 52.997 54.840 0.078 0.000 0.811 1278 L CB 1.108 43.163 42.059 -0.005 0.000 1.249 1278 L HN 0.615 nan 8.230 nan 0.000 0.431 1279 P HA -0.139 nan 4.420 nan 0.000 0.216 1279 P C 0.874 178.193 177.300 0.032 0.000 1.150 1279 P CA 0.940 64.071 63.100 0.052 0.000 0.837 1279 P CB 0.302 32.035 31.700 0.055 0.000 0.786 1280 S N -0.545 115.172 115.700 0.029 0.000 2.699 1280 S HA 0.222 4.692 4.470 0.000 0.000 0.251 1280 S C 0.154 174.758 174.600 0.006 0.000 1.179 1280 S CA -0.524 57.685 58.200 0.015 0.000 1.200 1280 S CB -1.191 62.016 63.200 0.012 0.000 0.848 1280 S HN -0.055 nan 8.310 nan 0.000 0.472 1281 R N -0.399 120.106 120.500 0.009 0.000 2.633 1281 R HA 0.287 4.627 4.340 0.000 0.000 0.256 1281 R C 0.339 176.643 176.300 0.007 0.000 1.131 1281 R CA -0.262 55.840 56.100 0.003 0.000 0.994 1281 R CB 0.509 30.806 30.300 -0.004 0.000 1.261 1281 R HN 0.237 nan 8.270 nan 0.000 0.446 1282 S N 0.668 116.370 115.700 0.004 0.000 2.355 1282 S HA -0.004 4.466 4.470 0.000 0.000 0.210 1282 S C 0.443 175.046 174.600 0.005 0.000 1.035 1282 S CA 0.676 58.879 58.200 0.005 0.000 1.011 1282 S CB -0.149 63.053 63.200 0.002 0.000 1.000 1282 S HN 0.665 nan 8.310 nan 0.000 0.423 1283 S N 1.642 117.344 115.700 0.002 0.000 2.596 1283 S HA 0.213 4.683 4.470 0.000 0.000 0.260 1283 S C 0.306 174.908 174.600 0.004 0.000 1.336 1283 S CA -0.128 58.072 58.200 0.001 0.000 0.993 1283 S CB 0.333 63.530 63.200 -0.004 0.000 0.923 1283 S HN 0.266 nan 8.310 nan 0.000 0.567 1284 K N 0.416 120.818 120.400 0.005 0.000 2.148 1284 K HA 0.440 4.760 4.320 0.000 0.000 0.239 1284 K C -0.662 175.941 176.600 0.005 0.000 1.018 1284 K CA -0.630 55.664 56.287 0.011 0.000 0.923 1284 K CB 0.394 32.904 32.500 0.016 0.000 1.117 1284 K HN 0.310 nan 8.250 nan 0.000 0.477 1285 I N 2.411 122.993 120.570 0.020 0.000 2.428 1285 I HA 0.138 4.308 4.170 0.000 0.000 0.279 1285 I C -0.420 175.729 176.117 0.053 0.000 1.040 1285 I CA -0.278 61.041 61.300 0.032 0.000 1.171 1285 I CB 0.630 38.672 38.000 0.071 0.000 1.312 1285 I HN 0.489 nan 8.210 nan 0.000 0.470 1286 T N 5.578 120.106 114.554 -0.044 0.000 2.799 1286 T HA 0.462 4.812 4.350 0.000 0.000 0.286 1286 T C -0.167 174.418 174.700 -0.190 0.000 0.973 1286 T CA -0.216 61.856 62.100 -0.046 0.000 1.035 1286 T CB 1.004 69.844 68.868 -0.046 0.000 0.932 1286 T HN 0.320 nan 8.240 nan 0.000 0.469 1287 H N 2.177 121.252 119.070 0.007 0.000 2.771 1287 H HA 0.436 4.992 4.556 0.000 0.000 0.361 1287 H C -0.277 175.053 175.328 0.003 0.000 1.108 1287 H CA -0.737 55.316 56.048 0.008 0.000 1.201 1287 H CB 2.013 31.776 29.762 0.003 0.000 1.681 1287 H HN 0.369 nan 8.280 nan 0.000 0.534 1288 R N 2.588 123.157 120.500 0.116 0.000 2.494 1288 R HA 0.490 4.830 4.340 0.000 0.000 0.305 1288 R C -0.405 175.910 176.300 0.024 0.000 0.959 1288 R CA -0.703 55.418 56.100 0.034 0.000 0.864 1288 R CB 1.872 32.197 30.300 0.041 0.000 1.159 1288 R HN 0.441 nan 8.270 nan 0.000 0.446 1289 I N 3.616 124.138 120.570 -0.080 0.000 2.354 1289 I HA 0.282 4.452 4.170 0.000 0.000 0.286 1289 I C -0.237 175.790 176.117 -0.149 0.000 1.007 1289 I CA -0.617 60.653 61.300 -0.049 0.000 1.167 1289 I CB 1.090 39.075 38.000 -0.024 0.000 1.320 1289 I HN 0.516 nan 8.210 nan 0.000 0.458 1290 H N 4.081 123.181 119.070 0.049 0.000 2.570 1290 H HA 0.144 4.700 4.556 0.000 0.000 0.342 1290 H C 0.464 175.841 175.328 0.081 0.000 1.245 1290 H CA -0.411 55.687 56.048 0.084 0.000 1.318 1290 H CB 1.596 31.410 29.762 0.087 0.000 1.694 1290 H HN 0.653 nan 8.280 nan 0.000 0.592 1291 W N 1.391 122.741 121.300 0.084 0.000 2.363 1291 W HA -0.175 4.485 4.660 0.000 0.000 0.296 1291 W C 0.558 177.049 176.519 -0.046 0.000 1.212 1291 W CA 1.742 59.041 57.345 -0.077 0.000 1.260 1291 W CB 0.139 29.485 29.460 -0.191 0.000 1.131 1291 W HN 0.715 nan 8.180 nan 0.000 0.530 1292 E N 0.521 120.712 120.200 -0.015 0.000 2.072 1292 E HA -0.151 4.199 4.350 0.000 0.000 0.190 1292 E C 2.094 178.605 176.600 -0.148 0.000 0.982 1292 E CA 1.969 58.289 56.400 -0.133 0.000 0.803 1292 E CB -0.640 29.075 29.700 0.025 0.000 0.755 1292 E HN 0.168 nan 8.360 nan 0.000 0.453 1293 S N -0.286 115.389 115.700 -0.042 0.000 2.602 1293 S HA 0.585 5.055 4.470 0.000 0.000 0.246 1293 S C 0.582 175.147 174.600 -0.058 0.000 1.009 1293 S CA -0.328 57.854 58.200 -0.030 0.000 1.052 1293 S CB 0.045 63.273 63.200 0.047 0.000 0.778 1293 S HN 0.227 nan 8.310 nan 0.000 0.455 1294 A N 1.872 124.603 122.820 -0.148 0.000 2.267 1294 A HA 0.678 4.998 4.320 0.000 0.000 0.271 1294 A C 1.216 178.714 177.584 -0.142 0.000 1.131 1294 A CA 0.023 51.969 52.037 -0.151 0.000 0.818 1294 A CB -0.428 18.424 19.000 -0.247 0.000 1.118 1294 A HN 1.753 nan 8.150 nan 0.000 0.501 1295 S N -2.575 113.055 115.700 -0.116 0.000 3.521 1295 S HA -0.172 4.298 4.470 0.000 0.000 0.362 1295 S C -0.365 174.190 174.600 -0.075 0.000 1.044 1295 S CA 1.171 59.315 58.200 -0.093 0.000 1.091 1295 S CB -2.280 60.852 63.200 -0.113 0.000 0.908 1295 S HN 1.982 nan 8.310 nan 0.000 0.473 1296 L N 1.009 122.194 121.223 -0.063 0.000 2.313 1296 L HA 0.652 4.993 4.340 0.000 0.000 0.283 1296 L C -0.033 176.806 176.870 -0.052 0.000 1.013 1296 L CA -0.882 53.928 54.840 -0.051 0.000 0.816 1296 L CB 1.311 43.347 42.059 -0.038 0.000 1.236 1296 L HN 0.422 nan 8.230 nan 0.000 0.419 1297 L N 6.339 127.533 121.223 -0.048 0.000 2.401 1297 L HA 0.346 4.686 4.340 0.000 0.000 0.283 1297 L C 0.209 177.038 176.870 -0.069 0.000 1.151 1297 L CA -0.042 54.766 54.840 -0.054 0.000 0.942 1297 L CB -0.383 41.651 42.059 -0.041 0.000 1.283 1297 L HN 0.556 nan 8.230 nan 0.000 0.442 1298 R N 2.180 122.615 120.500 -0.109 0.000 2.296 1298 R HA 0.215 4.555 4.340 0.000 0.000 0.327 1298 R C 0.099 176.287 176.300 -0.188 0.000 1.137 1298 R CA -0.217 55.777 56.100 -0.176 0.000 1.020 1298 R CB 0.751 30.850 30.300 -0.335 0.000 1.110 1298 R HN 0.557 nan 8.270 nan 0.000 0.499 1299 S N 1.791 117.420 115.700 -0.118 0.000 2.608 1299 S HA 0.479 4.949 4.470 0.000 0.000 0.291 1299 S C -0.333 174.216 174.600 -0.084 0.000 1.146 1299 S CA -1.016 57.127 58.200 -0.095 0.000 1.043 1299 S CB 2.318 65.483 63.200 -0.058 0.000 1.037 1299 S HN 0.348 nan 8.310 nan 0.000 0.520 1300 E N 1.378 121.525 120.200 -0.088 0.000 2.260 1300 E HA 0.383 4.733 4.350 0.000 0.000 0.266 1300 E C -1.299 175.249 176.600 -0.088 0.000 0.887 1300 E CA -0.501 55.852 56.400 -0.078 0.000 0.777 1300 E CB 1.905 31.549 29.700 -0.093 0.000 1.205 1300 E HN 0.706 nan 8.360 nan 0.000 0.414 1301 E N 0.791 120.955 120.200 -0.059 0.000 2.277 1301 E HA 0.554 4.904 4.350 0.000 0.000 0.274 1301 E C -0.632 175.934 176.600 -0.058 0.000 1.022 1301 E CA -0.340 56.030 56.400 -0.050 0.000 0.853 1301 E CB 1.186 30.871 29.700 -0.026 0.000 1.086 1301 E HN 0.132 nan 8.360 nan 0.000 0.397 1302 T N 2.214 116.737 114.554 -0.052 0.000 3.355 1302 T HA 0.170 4.520 4.350 0.000 0.000 0.324 1302 T C 0.298 174.988 174.700 -0.017 0.000 0.932 1302 T CA -0.771 61.302 62.100 -0.045 0.000 1.032 1302 T CB 0.692 69.512 68.868 -0.080 0.000 1.027 1302 T HN 0.348 nan 8.240 nan 0.000 0.456 1303 K N 1.135 121.532 120.400 -0.006 0.000 2.442 1303 K HA -0.020 4.300 4.320 0.000 0.000 0.198 1303 K C 0.838 177.443 176.600 0.009 0.000 1.044 1303 K CA 0.736 57.028 56.287 0.008 0.000 0.948 1303 K CB 0.476 32.982 32.500 0.010 0.000 0.762 1303 K HN 0.540 nan 8.250 nan 0.000 0.472 1304 E N 1.537 121.740 120.200 0.004 0.000 2.166 1304 E HA 0.058 4.408 4.350 0.000 0.000 0.275 1304 E C -0.986 175.626 176.600 0.020 0.000 0.941 1304 E CA -0.633 55.772 56.400 0.009 0.000 0.784 1304 E CB 0.775 30.479 29.700 0.007 0.000 1.115 1304 E HN -0.106 nan 8.360 nan 0.000 0.399 1305 N N 4.481 123.192 118.700 0.018 0.000 2.555 1305 N HA 0.060 4.800 4.740 0.000 0.000 0.244 1305 N C -1.250 174.286 175.510 0.044 0.000 1.114 1305 N CA 0.105 53.172 53.050 0.030 0.000 0.963 1305 N CB 0.321 38.805 38.487 -0.004 0.000 1.276 1305 N HN 0.420 nan 8.380 nan 0.000 0.510 1306 E N 0.558 120.812 120.200 0.090 0.000 2.339 1306 E HA 0.481 4.831 4.350 0.000 0.000 0.262 1306 E C -0.174 176.510 176.600 0.139 0.000 0.934 1306 E CA -1.031 55.426 56.400 0.095 0.000 0.802 1306 E CB 1.317 31.073 29.700 0.093 0.000 1.275 1306 E HN 0.488 nan 8.360 nan 0.000 0.427 1307 G N 1.711 110.554 108.800 0.071 0.000 2.696 1307 G HA2 0.408 4.368 3.960 0.000 0.000 0.329 1307 G HA3 0.408 4.368 3.960 0.000 0.000 0.329 1307 G C -0.147 174.759 174.900 0.010 0.000 0.973 1307 G CA -0.360 44.732 45.100 -0.013 0.000 1.257 1307 G HN 0.230 nan 8.290 nan 0.000 0.456 1308 F N 1.367 121.315 119.950 -0.004 0.000 2.362 1308 F HA 0.843 5.370 4.527 0.000 0.000 0.311 1308 F C 0.407 176.208 175.800 0.001 0.000 1.161 1308 F CA -1.204 56.796 58.000 -0.000 0.000 1.085 1308 F CB 0.983 39.984 39.000 0.002 0.000 1.311 1308 F HN 0.264 nan 8.300 nan 0.000 0.524 1309 T N -0.639 114.015 114.554 0.166 0.000 2.881 1309 T HA 0.679 5.029 4.350 0.000 0.000 0.290 1309 T C -1.201 173.600 174.700 0.169 0.000 1.000 1309 T CA -0.785 61.348 62.100 0.055 0.000 0.978 1309 T CB 1.035 69.918 68.868 0.025 0.000 0.997 1309 T HN 0.670 nan 8.240 nan 0.000 0.443 1310 V N 3.068 123.057 119.914 0.125 0.000 2.435 1310 V HA 0.637 4.757 4.120 0.000 0.000 0.290 1310 V C 0.126 176.264 176.094 0.074 0.000 1.030 1310 V CA -0.562 61.820 62.300 0.138 0.000 0.881 1310 V CB 1.798 33.716 31.823 0.159 0.000 0.983 1310 V HN 1.133 nan 8.190 nan 0.000 0.445 1311 T N 4.329 118.924 114.554 0.069 0.000 2.864 1311 T HA 0.674 5.024 4.350 0.000 0.000 0.299 1311 T C -0.022 174.704 174.700 0.044 0.000 1.011 1311 T CA -0.227 61.901 62.100 0.047 0.000 0.975 1311 T CB 1.405 70.298 68.868 0.041 0.000 0.962 1311 T HN 0.908 nan 8.240 nan 0.000 0.448 1312 A N 3.073 125.915 122.820 0.036 0.000 2.295 1312 A HA 0.860 5.180 4.320 0.000 0.000 0.318 1312 A C -0.121 177.478 177.584 0.025 0.000 1.134 1312 A CA -0.601 51.455 52.037 0.031 0.000 0.827 1312 A CB 0.913 19.930 19.000 0.028 0.000 1.136 1312 A HN 0.806 nan 8.150 nan 0.000 0.493 1313 E N 0.121 120.334 120.200 0.022 0.000 2.381 1313 E HA 0.502 4.852 4.350 0.000 0.000 0.286 1313 E C -0.376 176.233 176.600 0.014 0.000 0.960 1313 E CA 0.124 56.535 56.400 0.019 0.000 0.793 1313 E CB 1.637 31.348 29.700 0.019 0.000 1.225 1313 E HN 2.099 nan 8.360 nan 0.000 0.420 1314 G N 2.397 111.207 108.800 0.017 0.000 2.373 1314 G HA2 -0.041 3.919 3.960 0.000 0.000 0.634 1314 G HA3 -0.041 3.919 3.960 0.000 0.000 0.634 1314 G C -1.574 173.339 174.900 0.021 0.000 1.267 1314 G CA -0.826 44.283 45.100 0.016 0.000 1.008 1314 G HN 0.425 nan 8.290 nan 0.000 0.497 1315 K N 0.195 120.611 120.400 0.025 0.000 2.156 1315 K HA 0.815 5.135 4.320 0.000 0.000 0.271 1315 K C 0.752 177.376 176.600 0.041 0.000 0.995 1315 K CA 0.713 57.022 56.287 0.038 0.000 0.890 1315 K CB 1.352 33.881 32.500 0.048 0.000 1.073 1315 K HN 2.174 nan 8.250 nan 0.000 0.454 1316 G N 0.559 109.389 108.800 0.051 0.000 2.302 1316 G HA2 0.097 4.057 3.960 0.000 0.000 0.276 1316 G HA3 0.097 4.057 3.960 0.000 0.000 0.276 1316 G C -1.798 173.134 174.900 0.053 0.000 1.316 1316 G CA -0.865 44.271 45.100 0.060 0.000 0.988 1316 G HN 0.570 nan 8.290 nan 0.000 0.479 1317 Q N -0.664 119.167 119.800 0.052 0.000 2.327 1317 Q HA 0.584 4.924 4.340 0.000 0.000 0.265 1317 Q C -0.201 175.819 176.000 0.034 0.000 0.993 1317 Q CA -0.007 55.823 55.803 0.044 0.000 0.885 1317 Q CB 1.477 30.246 28.738 0.052 0.000 1.379 1317 Q HN 1.730 nan 8.270 nan 0.000 0.408 1318 G N 0.753 109.567 108.800 0.024 0.000 3.166 1318 G HA2 0.794 4.754 3.960 0.000 0.000 0.267 1318 G HA3 0.794 4.754 3.960 0.000 0.000 0.267 1318 G C -1.284 173.624 174.900 0.012 0.000 1.256 1318 G CA -0.487 44.621 45.100 0.013 0.000 0.859 1318 G HN 0.447 nan 8.290 nan 0.000 0.590 1319 T N 0.155 114.713 114.554 0.006 0.000 3.105 1319 T HA 0.462 4.812 4.350 0.000 0.000 0.321 1319 T C -1.633 173.071 174.700 0.006 0.000 1.135 1319 T CA -0.289 61.815 62.100 0.007 0.000 1.053 1319 T CB 1.809 70.680 68.868 0.004 0.000 1.133 1319 T HN 0.557 nan 8.240 nan 0.000 0.463 1320 L N 3.652 124.885 121.223 0.016 0.000 2.329 1320 L HA 0.875 5.215 4.340 0.000 0.000 0.279 1320 L C -0.475 176.412 176.870 0.029 0.000 1.014 1320 L CA -0.111 54.744 54.840 0.025 0.000 0.814 1320 L CB 1.520 43.604 42.059 0.042 0.000 1.257 1320 L HN 0.760 nan 8.230 nan 0.000 0.424 1321 S N 3.672 119.392 115.700 0.033 0.000 2.619 1321 S HA 0.815 5.285 4.470 0.000 0.000 0.280 1321 S C -1.227 173.406 174.600 0.055 0.000 1.150 1321 S CA -0.731 57.490 58.200 0.035 0.000 0.978 1321 S CB 1.452 64.663 63.200 0.018 0.000 1.041 1321 S HN 0.422 nan 8.310 nan 0.000 0.485 1322 V N 3.209 123.168 119.914 0.075 0.000 2.443 1322 V HA 0.643 4.763 4.120 0.000 0.000 0.293 1322 V C -0.809 175.333 176.094 0.080 0.000 1.021 1322 V CA -0.526 61.839 62.300 0.109 0.000 0.848 1322 V CB 1.488 33.442 31.823 0.217 0.000 0.998 1322 V HN 0.872 nan 8.190 nan 0.000 0.424 1323 V N 3.791 123.743 119.914 0.063 0.000 2.638 1323 V HA 0.605 4.725 4.120 0.000 0.000 0.306 1323 V C 0.131 176.262 176.094 0.061 0.000 1.052 1323 V CA -0.540 61.794 62.300 0.056 0.000 0.885 1323 V CB 2.532 34.379 31.823 0.039 0.000 0.999 1323 V HN 0.954 nan 8.190 nan 0.000 0.424 1324 T N 2.819 117.419 114.554 0.077 0.000 2.829 1324 T HA 0.802 5.152 4.350 0.000 0.000 0.282 1324 T C -0.539 174.246 174.700 0.143 0.000 0.990 1324 T CA -0.661 61.492 62.100 0.089 0.000 1.028 1324 T CB 1.258 70.166 68.868 0.066 0.000 0.951 1324 T HN 0.453 nan 8.240 nan 0.000 0.460 1325 M N 3.627 123.304 119.600 0.128 0.000 2.364 1325 M HA 0.641 5.121 4.480 0.000 0.000 0.334 1325 M C -1.083 175.329 176.300 0.187 0.000 1.107 1325 M CA -0.929 54.440 55.300 0.114 0.000 0.988 1325 M CB 1.726 34.334 32.600 0.012 0.000 1.673 1325 M HN 0.950 nan 8.290 nan 0.000 0.441 1326 Y N -0.906 119.330 120.300 -0.108 0.000 2.871 1326 Y HA 0.556 5.106 4.550 0.000 0.000 0.331 1326 Y C -1.744 174.022 175.900 -0.223 0.000 1.378 1326 Y CA -1.532 56.504 58.100 -0.107 0.000 1.079 1326 Y CB 0.846 39.304 38.460 -0.003 0.000 1.441 1326 Y HN 0.594 nan 8.280 nan 0.000 0.446 1327 H N 1.171 120.221 119.070 -0.034 0.000 2.597 1327 H HA 0.777 5.333 4.556 0.000 0.000 0.303 1327 H C -0.408 174.861 175.328 -0.099 0.000 1.057 1327 H CA -0.083 55.885 56.048 -0.134 0.000 1.261 1327 H CB 1.262 31.021 29.762 -0.005 0.000 1.397 1327 H HN 0.907 nan 8.280 nan 0.000 0.461 1328 A N 3.051 125.736 122.820 -0.224 0.000 2.310 1328 A HA 0.228 4.548 4.320 0.000 0.000 0.299 1328 A C 0.506 178.128 177.584 0.063 0.000 1.147 1328 A CA -0.830 51.199 52.037 -0.013 0.000 0.818 1328 A CB 0.409 19.327 19.000 -0.137 0.000 1.096 1328 A HN 0.796 nan 8.150 nan 0.000 0.495 1329 K N 2.545 123.011 120.400 0.109 0.000 2.715 1329 K HA 0.288 4.608 4.320 0.000 0.000 0.248 1329 K C 1.148 177.781 176.600 0.054 0.000 1.276 1329 K CA 0.328 56.660 56.287 0.075 0.000 1.209 1329 K CB -0.500 32.045 32.500 0.076 0.000 1.509 1329 K HN 0.752 nan 8.250 nan 0.000 0.261 1330 A N 2.637 125.479 122.820 0.036 0.000 1.835 1330 A HA -0.143 4.177 4.320 0.000 0.000 0.215 1330 A C 0.206 177.806 177.584 0.028 0.000 1.199 1330 A CA 0.953 53.005 52.037 0.026 0.000 0.615 1330 A CB -0.311 18.696 19.000 0.010 0.000 0.838 1330 A HN 0.615 nan 8.150 nan 0.000 0.444 1331 K N 1.304 121.721 120.400 0.028 0.000 2.434 1331 K HA -0.036 4.284 4.320 0.000 0.000 0.266 1331 K C -0.200 176.418 176.600 0.029 0.000 1.096 1331 K CA 0.687 56.991 56.287 0.028 0.000 1.182 1331 K CB -0.383 32.135 32.500 0.031 0.000 0.813 1331 K HN 0.546 nan 8.250 nan 0.000 0.490 1332 D N 1.288 121.704 120.400 0.026 0.000 3.393 1332 D HA -0.254 4.386 4.640 0.000 0.000 0.178 1332 D C -0.263 176.051 176.300 0.024 0.000 1.201 1332 D CA 1.073 55.087 54.000 0.023 0.000 1.086 1332 D CB -0.492 40.320 40.800 0.020 0.000 0.568 1332 D HN 0.678 nan 8.370 nan 0.000 0.637 1333 Q N 0.675 120.489 119.800 0.022 0.000 2.398 1333 Q HA 0.155 4.496 4.340 0.000 0.000 0.329 1333 Q C 0.696 176.715 176.000 0.031 0.000 1.079 1333 Q CA 0.457 56.275 55.803 0.025 0.000 1.041 1333 Q CB 0.040 28.792 28.738 0.023 0.000 1.084 1333 Q HN 0.492 nan 8.270 nan 0.000 0.386 1334 L N 1.773 123.017 121.223 0.036 0.000 3.597 1334 L HA -0.322 4.018 4.340 0.000 0.000 0.440 1334 L C 1.032 177.923 176.870 0.035 0.000 1.277 1334 L CA 0.408 55.270 54.840 0.036 0.000 0.852 1334 L CB -1.204 40.873 42.059 0.030 0.000 1.708 1334 L HN 1.036 nan 8.230 nan 0.000 0.885 1335 T N -4.675 109.903 114.554 0.040 0.000 3.407 1335 T HA -0.131 4.219 4.350 0.000 0.000 0.204 1335 T C 1.463 176.192 174.700 0.049 0.000 0.879 1335 T CA 0.802 62.926 62.100 0.040 0.000 2.438 1335 T CB -0.017 68.877 68.868 0.044 0.000 1.594 1335 T HN 0.789 nan 8.240 nan 0.000 0.353 1336 c N 0.961 119.600 118.600 0.065 0.000 5.678 1336 c HA -0.313 4.257 4.570 0.000 0.000 0.302 1336 c C 1.099 175.260 174.090 0.118 0.000 2.210 1336 c CA 1.415 57.798 56.329 0.090 0.000 1.973 1336 c CB -2.683 39.877 42.510 0.085 0.000 2.925 1336 c HN 1.147 nan 8.230 nan 0.000 0.410 1337 N N -0.924 117.817 118.700 0.069 0.000 1.191 1337 N HA -0.230 4.510 4.740 0.000 0.000 0.120 1337 N C -0.113 175.379 175.510 -0.031 0.000 0.826 1337 N CA 1.901 54.974 53.050 0.039 0.000 0.876 1337 N CB -1.069 37.469 38.487 0.085 0.000 1.050 1337 N HN 0.665 nan 8.380 nan 0.000 0.603 1338 K N 0.839 121.165 120.400 -0.123 0.000 2.968 1338 K HA 0.384 4.704 4.320 0.000 0.000 0.249 1338 K C -0.770 175.361 176.600 -0.782 0.000 1.062 1338 K CA 0.381 56.336 56.287 -0.553 0.000 1.215 1338 K CB -0.503 31.461 32.500 -0.893 0.000 1.097 1338 K HN 0.248 nan 8.250 nan 0.000 0.462 1339 F N -0.570 119.340 119.950 -0.066 0.000 2.608 1339 F HA 0.261 4.788 4.527 0.000 0.000 0.309 1339 F C -0.712 175.095 175.800 0.012 0.000 1.103 1339 F CA -1.287 56.721 58.000 0.015 0.000 0.954 1339 F CB 2.004 41.041 39.000 0.061 0.000 1.267 1339 F HN -0.116 nan 8.300 nan 0.000 0.444 1340 D N 3.397 123.921 120.400 0.208 0.000 2.432 1340 D HA 0.288 4.928 4.640 0.000 0.000 0.265 1340 D C -1.045 175.330 176.300 0.125 0.000 1.160 1340 D CA -0.198 53.878 54.000 0.126 0.000 0.911 1340 D CB 1.507 42.352 40.800 0.075 0.000 1.052 1340 D HN 0.217 nan 8.370 nan 0.000 0.508 1341 L N 2.203 123.493 121.223 0.112 0.000 2.265 1341 L HA 0.397 4.737 4.340 0.000 0.000 0.288 1341 L C -0.673 176.225 176.870 0.048 0.000 1.058 1341 L CA -0.223 54.660 54.840 0.072 0.000 0.809 1341 L CB 0.528 42.613 42.059 0.042 0.000 1.179 1341 L HN -0.041 nan 8.230 nan 0.000 0.429 1342 K N 4.115 124.535 120.400 0.034 0.000 2.450 1342 K HA 0.645 4.965 4.320 0.000 0.000 0.257 1342 K C -1.304 175.295 176.600 -0.001 0.000 0.953 1342 K CA -0.331 55.970 56.287 0.023 0.000 0.844 1342 K CB 2.026 34.539 32.500 0.021 0.000 1.103 1342 K HN 0.354 nan 8.250 nan 0.000 0.429 1343 V N 2.445 122.361 119.914 0.003 0.000 2.495 1343 V HA 0.610 4.730 4.120 0.000 0.000 0.298 1343 V C -0.469 175.607 176.094 -0.029 0.000 1.031 1343 V CA -0.630 61.648 62.300 -0.037 0.000 0.871 1343 V CB 2.077 33.892 31.823 -0.013 0.000 0.988 1343 V HN 0.789 nan 8.190 nan 0.000 0.432 1344 T N 5.180 119.676 114.554 -0.097 0.000 2.933 1344 T HA 0.622 4.972 4.350 0.000 0.000 0.305 1344 T C -1.050 173.561 174.700 -0.149 0.000 1.092 1344 T CA -0.300 61.755 62.100 -0.076 0.000 1.008 1344 T CB 1.981 70.815 68.868 -0.056 0.000 1.102 1344 T HN 0.463 nan 8.240 nan 0.000 0.469 1345 I N 2.639 123.148 120.570 -0.102 0.000 2.433 1345 I HA 0.620 4.790 4.170 0.000 0.000 0.292 1345 I C -1.031 175.028 176.117 -0.098 0.000 1.001 1345 I CA -0.457 60.757 61.300 -0.143 0.000 1.119 1345 I CB 0.950 38.890 38.000 -0.102 0.000 1.289 1345 I HN 0.511 nan 8.210 nan 0.000 0.438 1346 K N 7.233 127.565 120.400 -0.113 0.000 2.502 1346 K HA 0.575 4.896 4.320 0.000 0.000 0.257 1346 K C -2.663 173.895 176.600 -0.071 0.000 0.938 1346 K CA -1.652 54.590 56.287 -0.076 0.000 0.819 1346 K CB 1.823 34.283 32.500 -0.066 0.000 1.333 1346 K HN 0.254 nan 8.250 nan 0.000 0.434 1347 P HA 0.029 nan 4.420 nan 0.000 0.274 1347 P C -1.194 176.087 177.300 -0.030 0.000 1.264 1347 P CA -0.316 62.767 63.100 -0.028 0.000 0.795 1347 P CB 0.470 32.162 31.700 -0.014 0.000 1.064 1348 A N 0.044 122.854 122.820 -0.017 0.000 2.356 1348 A HA 0.703 5.023 4.320 0.000 0.000 0.323 1348 A C -2.010 175.572 177.584 -0.004 0.000 1.119 1348 A CA -1.116 50.912 52.037 -0.015 0.000 0.790 1348 A CB -1.216 17.776 19.000 -0.013 0.000 1.273 1348 A HN 0.446 nan 8.150 nan 0.000 0.452 1360 N N 1.206 119.929 118.700 0.039 0.000 2.171 1360 N HA -0.049 4.691 4.740 0.000 0.000 0.184 1360 N C -0.288 175.283 175.510 0.101 0.000 1.021 1360 N CA 1.773 54.867 53.050 0.074 0.000 0.854 1360 N CB -0.331 38.219 38.487 0.106 0.000 0.994 1360 N HN 0.463 nan 8.380 nan 0.000 0.426 1361 T N 0.298 114.940 114.554 0.147 0.000 0.543 1361 T HA -0.231 4.119 4.350 0.000 0.000 0.774 1361 T C -0.504 174.203 174.700 0.012 0.000 0.992 1361 T CA 0.672 62.803 62.100 0.052 0.000 4.076 1361 T CB -0.491 68.342 68.868 -0.059 0.000 2.302 1361 T HN 0.140 nan 8.240 nan 0.000 0.398 1362 M N 3.851 123.431 119.600 -0.034 0.000 2.704 1362 M HA 0.637 5.117 4.480 0.000 0.000 0.284 1362 M C -0.482 175.730 176.300 -0.147 0.000 1.275 1362 M CA -1.055 54.197 55.300 -0.080 0.000 0.811 1362 M CB 2.087 34.631 32.600 -0.094 0.000 1.741 1362 M HN 0.494 nan 8.290 nan 0.000 0.458 1363 I N 1.942 122.413 120.570 -0.165 0.000 2.378 1363 I HA 0.371 4.541 4.170 0.000 0.000 0.291 1363 I C -1.279 174.655 176.117 -0.305 0.000 0.992 1363 I CA -0.813 60.360 61.300 -0.211 0.000 1.154 1363 I CB 1.734 39.647 38.000 -0.146 0.000 1.315 1363 I HN 0.357 nan 8.210 nan 0.000 0.448 1364 L N 7.081 128.021 121.223 -0.471 0.000 2.313 1364 L HA 0.381 4.721 4.340 0.000 0.000 0.273 1364 L C -0.133 176.427 176.870 -0.517 0.000 1.028 1364 L CA -0.029 54.448 54.840 -0.606 0.000 0.871 1364 L CB 0.874 42.377 42.059 -0.927 0.000 1.242 1364 L HN 0.556 nan 8.230 nan 0.000 0.434 1365 E N 5.079 125.086 120.200 -0.323 0.000 2.200 1365 E HA 0.418 4.768 4.350 0.000 0.000 0.283 1365 E C -1.128 175.367 176.600 -0.174 0.000 1.015 1365 E CA -0.402 55.874 56.400 -0.207 0.000 0.819 1365 E CB 0.863 30.484 29.700 -0.131 0.000 1.081 1365 E HN 0.642 nan 8.360 nan 0.000 0.397 1366 I N 5.447 125.945 120.570 -0.120 0.000 2.420 1366 I HA 0.267 4.437 4.170 0.000 0.000 0.282 1366 I C -0.653 175.450 176.117 -0.022 0.000 1.019 1366 I CA -0.832 60.423 61.300 -0.074 0.000 1.130 1366 I CB 1.197 39.163 38.000 -0.058 0.000 1.262 1366 I HN 0.532 nan 8.210 nan 0.000 0.454 1367 c N 3.674 122.268 118.600 -0.010 0.000 2.366 1367 c HA 0.794 5.364 4.570 0.000 0.000 0.345 1367 c C 0.638 174.754 174.090 0.044 0.000 1.209 1367 c CA -0.287 56.051 56.329 0.017 0.000 2.050 1367 c CB 1.412 43.929 42.510 0.013 0.000 2.359 1367 c HN 0.770 nan 8.230 nan 0.000 0.527 1368 T N 2.138 116.735 114.554 0.071 0.000 2.923 1368 T HA 0.659 5.009 4.350 0.000 0.000 0.311 1368 T C -1.209 173.579 174.700 0.145 0.000 1.183 1368 T CA -0.511 61.665 62.100 0.127 0.000 1.020 1368 T CB 1.257 70.216 68.868 0.153 0.000 1.165 1368 T HN 0.893 nan 8.240 nan 0.000 0.482 1369 R N 1.812 122.423 120.500 0.185 0.000 2.799 1369 R HA 0.610 4.950 4.340 0.000 0.000 0.270 1369 R C -2.106 174.286 176.300 0.153 0.000 1.010 1369 R CA -0.808 55.383 56.100 0.153 0.000 0.916 1369 R CB 1.827 32.182 30.300 0.090 0.000 1.228 1369 R HN 0.688 nan 8.270 nan 0.000 0.469 1370 Y N 1.425 121.701 120.300 -0.041 0.000 2.364 1370 Y HA 0.442 4.992 4.550 0.000 0.000 0.340 1370 Y C -0.670 175.157 175.900 -0.121 0.000 0.975 1370 Y CA -0.773 57.193 58.100 -0.224 0.000 1.089 1370 Y CB 1.479 39.815 38.460 -0.206 0.000 1.192 1370 Y HN 0.433 nan 8.280 nan 0.000 0.454 1371 R N 4.718 124.750 120.500 -0.780 0.000 2.419 1371 R HA 0.521 4.861 4.340 0.000 0.000 0.305 1371 R C -0.344 175.588 176.300 -0.614 0.000 1.242 1371 R CA 0.008 55.802 56.100 -0.510 0.000 1.105 1371 R CB -0.034 30.036 30.300 -0.382 0.000 1.116 1371 R HN 0.898 nan 8.270 nan 0.000 0.523 1372 G N 0.547 109.201 108.800 -0.244 0.000 2.495 1372 G HA2 0.035 3.995 3.960 0.000 0.000 0.294 1372 G HA3 0.035 3.995 3.960 0.000 0.000 0.294 1372 G C -0.830 173.917 174.900 -0.254 0.000 1.397 1372 G CA -0.602 44.436 45.100 -0.103 0.000 0.790 1372 G HN 0.269 nan 8.290 nan 0.000 0.486 1373 D N 0.025 120.266 120.400 -0.265 0.000 2.349 1373 D HA 0.183 4.823 4.640 0.000 0.000 0.214 1373 D C 0.265 176.259 176.300 -0.509 0.000 1.063 1373 D CA 0.671 54.404 54.000 -0.445 0.000 0.847 1373 D CB 0.635 41.331 40.800 -0.173 0.000 0.933 1373 D HN 0.191 nan 8.370 nan 0.000 0.513 1374 Q N 0.733 120.344 119.800 -0.315 0.000 2.323 1374 Q HA 0.219 4.559 4.340 0.000 0.000 0.271 1374 Q C -0.950 175.081 176.000 0.052 0.000 1.048 1374 Q CA -0.624 55.131 55.803 -0.080 0.000 0.792 1374 Q CB 1.987 30.706 28.738 -0.032 0.000 1.280 1374 Q HN -0.075 nan 8.270 nan 0.000 0.441 1375 D N 2.022 122.543 120.400 0.202 0.000 2.402 1375 D HA 0.142 4.782 4.640 0.000 0.000 0.268 1375 D C 0.211 176.454 176.300 -0.095 0.000 1.294 1375 D CA 0.389 54.467 54.000 0.128 0.000 0.945 1375 D CB 0.319 41.177 40.800 0.096 0.000 1.112 1375 D HN 0.540 nan 8.370 nan 0.000 0.517 1376 A N 3.175 125.776 122.820 -0.364 0.000 2.587 1376 A HA 0.185 4.505 4.320 0.000 0.000 0.233 1376 A C 1.473 178.974 177.584 -0.139 0.000 1.049 1376 A CA 0.293 51.999 52.037 -0.552 0.000 0.754 1376 A CB 0.010 18.461 19.000 -0.915 0.000 0.977 1376 A HN 0.629 nan 8.150 nan 0.000 0.509 1377 T N 1.392 115.941 114.554 -0.008 0.000 5.193 1377 T HA 0.301 4.651 4.350 0.000 0.000 0.380 1377 T C 0.760 175.544 174.700 0.141 0.000 1.047 1377 T CA 0.206 62.375 62.100 0.116 0.000 0.901 1377 T CB -0.183 68.847 68.868 0.269 0.000 1.613 1377 T HN 0.524 nan 8.240 nan 0.000 0.435 1378 M N 1.797 121.528 119.600 0.219 0.000 2.227 1378 M HA 0.352 4.832 4.480 0.000 0.000 0.349 1378 M C -0.317 176.102 176.300 0.199 0.000 1.443 1378 M CA -0.115 55.284 55.300 0.164 0.000 1.110 1378 M CB 0.597 33.230 32.600 0.055 0.000 1.773 1378 M HN 0.478 nan 8.290 nan 0.000 0.463 1379 S N 2.881 118.642 115.700 0.101 0.000 2.726 1379 S HA 0.814 5.284 4.470 0.000 0.000 0.308 1379 S C -0.635 173.890 174.600 -0.125 0.000 1.115 1379 S CA -0.751 57.445 58.200 -0.007 0.000 0.965 1379 S CB 1.645 64.866 63.200 0.035 0.000 1.145 1379 S HN 0.472 nan 8.310 nan 0.000 0.532 1380 I N 1.077 121.401 120.570 -0.410 0.000 2.569 1380 I HA 0.430 4.600 4.170 0.000 0.000 0.296 1380 I C -1.019 174.819 176.117 -0.466 0.000 1.028 1380 I CA -0.187 60.805 61.300 -0.513 0.000 1.082 1380 I CB 1.463 38.983 38.000 -0.800 0.000 1.264 1380 I HN 0.393 nan 8.210 nan 0.000 0.429 1381 L N 4.816 125.833 121.223 -0.343 0.000 2.335 1381 L HA 0.360 4.701 4.340 0.000 0.000 0.268 1381 L C -0.697 176.060 176.870 -0.188 0.000 1.037 1381 L CA -0.408 54.298 54.840 -0.223 0.000 0.895 1381 L CB 0.696 42.666 42.059 -0.149 0.000 1.266 1381 L HN 0.503 nan 8.230 nan 0.000 0.439 1382 D N 4.454 124.782 120.400 -0.120 0.000 2.422 1382 D HA 0.317 4.957 4.640 0.000 0.000 0.227 1382 D C -0.252 176.033 176.300 -0.024 0.000 1.190 1382 D CA 0.001 53.969 54.000 -0.054 0.000 0.905 1382 D CB 0.450 41.273 40.800 0.037 0.000 1.034 1382 D HN 0.250 nan 8.370 nan 0.000 0.507 1383 I N 1.976 122.539 120.570 -0.012 0.000 2.437 1383 I HA 0.260 4.430 4.170 0.000 0.000 0.298 1383 I C 0.213 176.374 176.117 0.074 0.000 0.984 1383 I CA -0.851 60.481 61.300 0.054 0.000 1.214 1383 I CB 1.776 39.839 38.000 0.105 0.000 1.365 1383 I HN 0.285 nan 8.210 nan 0.000 0.469 1384 S N 6.552 122.322 115.700 0.117 0.000 2.640 1384 S HA 0.545 5.016 4.470 0.000 0.000 0.320 1384 S C -0.336 174.367 174.600 0.171 0.000 1.097 1384 S CA -1.019 57.243 58.200 0.103 0.000 1.092 1384 S CB 1.184 64.416 63.200 0.052 0.000 0.988 1384 S HN 0.386 nan 8.310 nan 0.000 0.470 1385 M N 3.002 122.715 119.600 0.187 0.000 2.232 1385 M HA 0.243 4.723 4.480 0.000 0.000 0.321 1385 M C 0.439 176.848 176.300 0.181 0.000 1.101 1385 M CA 0.455 55.908 55.300 0.255 0.000 1.181 1385 M CB -0.157 32.608 32.600 0.276 0.000 1.432 1385 M HN 0.688 nan 8.290 nan 0.000 0.457 1386 M N 0.608 120.318 119.600 0.183 0.000 2.233 1386 M HA 0.075 4.555 4.480 0.000 0.000 0.350 1386 M C 0.691 177.174 176.300 0.306 0.000 1.176 1386 M CA -0.024 55.355 55.300 0.131 0.000 1.150 1386 M CB 0.408 32.981 32.600 -0.045 0.000 1.530 1386 M HN 0.631 nan 8.290 nan 0.000 0.459 1387 T N 2.015 116.693 114.554 0.205 0.000 2.738 1387 T HA 0.243 4.593 4.350 0.000 0.000 0.277 1387 T C 1.052 175.840 174.700 0.147 0.000 0.981 1387 T CA 1.534 63.724 62.100 0.151 0.000 1.211 1387 T CB -0.531 68.387 68.868 0.084 0.000 0.932 1387 T HN 0.964 nan 8.240 nan 0.000 0.522 1388 G N 3.831 112.616 108.800 -0.026 0.000 2.163 1388 G HA2 -0.148 3.812 3.960 0.000 0.000 0.213 1388 G HA3 -0.148 3.812 3.960 0.000 0.000 0.213 1388 G C -0.163 174.323 174.900 -0.691 0.000 0.991 1388 G CA -0.321 44.497 45.100 -0.469 0.000 0.653 1388 G HN 0.660 nan 8.290 nan 0.000 0.518 1389 F N 0.677 120.646 119.950 0.032 0.000 2.563 1389 F HA 0.820 5.347 4.527 0.000 0.000 0.316 1389 F C 0.322 176.410 175.800 0.479 0.000 1.076 1389 F CA -0.298 57.851 58.000 0.248 0.000 0.921 1389 F CB 2.531 41.635 39.000 0.173 0.000 1.209 1389 F HN 0.448 nan 8.300 nan 0.000 0.462 1390 A N 3.027 126.254 122.820 0.679 0.000 2.455 1390 A HA 0.817 5.137 4.320 0.000 0.000 0.300 1390 A C -3.045 174.734 177.584 0.326 0.000 1.040 1390 A CA -1.972 50.316 52.037 0.417 0.000 0.697 1390 A CB 1.542 20.698 19.000 0.261 0.000 1.265 1390 A HN 0.382 nan 8.150 nan 0.000 0.407 1391 P HA 0.115 nan 4.420 nan 0.000 0.267 1391 P C -0.755 176.609 177.300 0.107 0.000 1.200 1391 P CA 0.189 63.414 63.100 0.209 0.000 0.772 1391 P CB 0.484 32.186 31.700 0.003 0.000 0.855 1392 D N 1.071 121.624 120.400 0.254 0.000 2.339 1392 D HA 0.002 4.642 4.640 0.000 0.000 0.256 1392 D C 1.243 177.586 176.300 0.071 0.000 1.214 1392 D CA 0.228 54.400 54.000 0.286 0.000 0.877 1392 D CB 0.459 41.477 40.800 0.363 0.000 1.111 1392 D HN 0.335 nan 8.370 nan 0.000 0.478 1393 T N 1.056 115.596 114.554 -0.023 0.000 2.665 1393 T HA -0.245 4.105 4.350 0.000 0.000 0.268 1393 T C 1.229 175.913 174.700 -0.026 0.000 1.035 1393 T CA 1.291 63.340 62.100 -0.085 0.000 1.151 1393 T CB -0.170 68.641 68.868 -0.096 0.000 0.862 1393 T HN 0.301 nan 8.240 nan 0.000 0.438 1394 D N 1.839 122.261 120.400 0.036 0.000 2.123 1394 D HA -0.084 4.557 4.640 0.000 0.000 0.196 1394 D C 1.933 178.250 176.300 0.029 0.000 0.992 1394 D CA 1.434 55.456 54.000 0.037 0.000 0.833 1394 D CB -0.589 40.252 40.800 0.068 0.000 0.954 1394 D HN 0.453 nan 8.370 nan 0.000 0.455 1395 D N -0.151 120.281 120.400 0.054 0.000 2.219 1395 D HA -0.038 4.602 4.640 0.000 0.000 0.205 1395 D C 2.254 178.546 176.300 -0.013 0.000 0.970 1395 D CA 0.222 54.255 54.000 0.054 0.000 0.851 1395 D CB -0.211 40.667 40.800 0.131 0.000 0.943 1395 D HN 0.238 nan 8.370 nan 0.000 0.488 1396 L N 0.118 121.294 121.223 -0.078 0.000 2.093 1396 L HA -0.132 4.208 4.340 0.000 0.000 0.208 1396 L C 2.110 178.913 176.870 -0.111 0.000 1.085 1396 L CA 0.914 55.656 54.840 -0.163 0.000 0.755 1396 L CB -0.212 41.716 42.059 -0.218 0.000 0.904 1396 L HN -0.109 nan 8.230 nan 0.000 0.435 1397 K N -0.057 120.300 120.400 -0.072 0.000 2.147 1397 K HA -0.204 4.116 4.320 0.000 0.000 0.205 1397 K C 2.067 178.648 176.600 -0.032 0.000 1.049 1397 K CA 0.981 57.237 56.287 -0.052 0.000 0.936 1397 K CB -0.250 32.230 32.500 -0.034 0.000 0.722 1397 K HN 0.088 nan 8.250 nan 0.000 0.446 1398 Q N 0.449 120.237 119.800 -0.019 0.000 2.079 1398 Q HA 0.008 4.348 4.340 0.000 0.000 0.200 1398 Q C 1.630 177.626 176.000 -0.006 0.000 0.974 1398 Q CA 1.446 57.247 55.803 -0.004 0.000 0.840 1398 Q CB -0.059 28.686 28.738 0.012 0.000 0.898 1398 Q HN 0.316 nan 8.270 nan 0.000 0.430 1399 L N -0.502 120.708 121.223 -0.021 0.000 2.240 1399 L HA 0.063 4.403 4.340 0.000 0.000 0.211 1399 L C 2.282 179.136 176.870 -0.027 0.000 1.106 1399 L CA 0.659 55.486 54.840 -0.022 0.000 0.793 1399 L CB -0.590 41.443 42.059 -0.043 0.000 0.927 1399 L HN 0.262 nan 8.230 nan 0.000 0.446 1400 A N 0.588 123.380 122.820 -0.048 0.000 1.873 1400 A HA -0.160 4.160 4.320 0.000 0.000 0.215 1400 A C 1.917 179.504 177.584 0.006 0.000 1.186 1400 A CA 1.611 53.621 52.037 -0.045 0.000 0.616 1400 A CB -0.432 18.518 19.000 -0.084 0.000 0.823 1400 A HN 0.389 nan 8.150 nan 0.000 0.442 1401 N N 0.529 119.231 118.700 0.004 0.000 2.494 1401 N HA 0.047 4.787 4.740 0.000 0.000 0.182 1401 N C 1.035 176.559 175.510 0.023 0.000 1.076 1401 N CA 0.720 53.781 53.050 0.018 0.000 0.908 1401 N CB -0.513 37.980 38.487 0.010 0.000 0.967 1401 N HN 0.445 nan 8.380 nan 0.000 0.449 1402 G N 0.260 109.073 108.800 0.021 0.000 2.664 1402 G HA2 0.213 4.173 3.960 0.000 0.000 0.242 1402 G HA3 0.213 4.173 3.960 0.000 0.000 0.242 1402 G C -0.092 174.827 174.900 0.032 0.000 1.225 1402 G CA -0.378 44.736 45.100 0.023 0.000 0.849 1402 G HN 0.090 nan 8.290 nan 0.000 0.581 1403 V N 0.914 120.844 119.914 0.026 0.000 2.686 1403 V HA 0.285 4.406 4.120 0.000 0.000 0.295 1403 V C 0.501 176.614 176.094 0.032 0.000 1.055 1403 V CA 0.437 62.753 62.300 0.026 0.000 1.050 1403 V CB 0.909 32.742 31.823 0.017 0.000 0.984 1403 V HN 0.946 nan 8.190 nan 0.000 0.482 1404 D N 3.078 123.498 120.400 0.034 0.000 3.059 1404 D HA -0.156 4.484 4.640 0.000 0.000 0.220 1404 D C 0.106 176.443 176.300 0.061 0.000 1.169 1404 D CA 1.231 55.255 54.000 0.039 0.000 0.902 1404 D CB -0.836 39.983 40.800 0.032 0.000 1.116 1404 D HN 0.773 nan 8.370 nan 0.000 0.417 1405 R N -0.466 120.080 120.500 0.078 0.000 2.673 1405 R HA 0.629 4.969 4.340 0.000 0.000 0.281 1405 R C -1.154 175.249 176.300 0.172 0.000 0.991 1405 R CA -0.851 55.309 56.100 0.101 0.000 0.896 1405 R CB 2.456 32.788 30.300 0.054 0.000 1.201 1405 R HN 0.099 nan 8.270 nan 0.000 0.457 1406 Y N 2.792 123.120 120.300 0.047 0.000 2.482 1406 Y HA 0.538 5.088 4.550 0.000 0.000 0.334 1406 Y C -1.794 174.176 175.900 0.118 0.000 1.091 1406 Y CA -0.783 57.350 58.100 0.056 0.000 1.027 1406 Y CB 1.495 39.974 38.460 0.031 0.000 1.306 1406 Y HN 0.514 nan 8.280 nan 0.000 0.446 1407 I N 5.392 125.531 120.570 -0.717 0.000 2.466 1407 I HA 0.322 4.492 4.170 0.000 0.000 0.289 1407 I C -0.306 175.329 176.117 -0.804 0.000 1.026 1407 I CA -1.143 59.815 61.300 -0.569 0.000 1.078 1407 I CB 2.194 40.012 38.000 -0.303 0.000 1.249 1407 I HN 0.762 nan 8.210 nan 0.000 0.429 1408 S N 4.746 120.160 115.700 -0.478 0.000 2.563 1408 S HA -0.040 4.430 4.470 0.000 0.000 0.294 1408 S C 1.094 175.631 174.600 -0.106 0.000 1.279 1408 S CA -0.268 57.814 58.200 -0.198 0.000 1.069 1408 S CB 0.961 64.231 63.200 0.116 0.000 0.828 1408 S HN 0.864 nan 8.310 nan 0.000 0.497 1409 K N 2.149 122.535 120.400 -0.024 0.000 2.152 1409 K HA -0.238 4.082 4.320 0.000 0.000 0.206 1409 K C 1.649 178.264 176.600 0.026 0.000 1.048 1409 K CA 1.616 57.902 56.287 -0.001 0.000 0.933 1409 K CB -0.364 32.164 32.500 0.046 0.000 0.721 1409 K HN 0.870 nan 8.250 nan 0.000 0.447 1410 Y N 1.224 121.502 120.300 -0.035 0.000 2.483 1410 Y HA -0.173 4.377 4.550 0.000 0.000 0.291 1410 Y C 1.882 177.749 175.900 -0.056 0.000 1.143 1410 Y CA 1.693 59.774 58.100 -0.032 0.000 1.289 1410 Y CB 0.117 38.572 38.460 -0.008 0.000 0.983 1410 Y HN 0.218 nan 8.280 nan 0.000 0.556 1411 E N -0.582 119.587 120.200 -0.052 0.000 2.216 1411 E HA -0.010 4.340 4.350 0.000 0.000 0.192 1411 E C 1.702 178.187 176.600 -0.192 0.000 0.973 1411 E CA 0.650 56.969 56.400 -0.136 0.000 0.851 1411 E CB -0.266 29.391 29.700 -0.072 0.000 0.804 1411 E HN 0.394 nan 8.360 nan 0.000 0.477 1412 L N 1.500 122.623 121.223 -0.166 0.000 2.017 1412 L HA -0.090 4.250 4.340 0.000 0.000 0.208 1412 L C 0.557 177.322 176.870 -0.175 0.000 1.073 1412 L CA 1.628 56.368 54.840 -0.165 0.000 0.745 1412 L CB -0.772 41.209 42.059 -0.130 0.000 0.894 1412 L HN 0.213 nan 8.230 nan 0.000 0.432 1413 D N -0.603 119.692 120.400 -0.176 0.000 2.558 1413 D HA 0.085 4.725 4.640 0.000 0.000 0.221 1413 D C 0.540 176.705 176.300 -0.226 0.000 1.143 1413 D CA 0.073 53.970 54.000 -0.172 0.000 1.010 1413 D CB 0.111 40.831 40.800 -0.133 0.000 1.068 1413 D HN 0.252 nan 8.370 nan 0.000 0.511 1414 K N 0.442 120.707 120.400 -0.224 0.000 2.562 1414 K HA 0.429 4.749 4.320 0.000 0.000 0.218 1414 K C 0.594 177.073 176.600 -0.202 0.000 1.374 1414 K CA 0.096 56.242 56.287 -0.234 0.000 0.996 1414 K CB 0.966 33.307 32.500 -0.265 0.000 1.127 1414 K HN 0.358 nan 8.250 nan 0.000 0.603 1415 A N 1.061 123.759 122.820 -0.202 0.000 6.204 1415 A HA -0.271 4.049 4.320 0.000 0.000 0.272 1415 A C 0.277 177.692 177.584 -0.282 0.000 2.040 1415 A CA 1.044 52.975 52.037 -0.176 0.000 0.717 1415 A CB -1.435 17.533 19.000 -0.054 0.000 1.126 1415 A HN 0.264 nan 8.150 nan 0.000 0.378 1416 F N 0.743 120.581 119.950 -0.187 0.000 2.725 1416 F HA 0.197 4.724 4.527 0.000 0.000 0.303 1416 F C 2.237 177.779 175.800 -0.429 0.000 1.167 1416 F CA 1.174 58.988 58.000 -0.310 0.000 1.403 1416 F CB -0.032 38.807 39.000 -0.267 0.000 1.077 1416 F HN 0.618 nan 8.300 nan 0.000 0.537 1417 S N 0.133 115.733 115.700 -0.167 0.000 2.380 1417 S HA -0.120 4.350 4.470 0.000 0.000 0.213 1417 S C 0.665 175.135 174.600 -0.216 0.000 1.037 1417 S CA 1.423 59.522 58.200 -0.169 0.000 1.034 1417 S CB -0.049 63.077 63.200 -0.124 0.000 1.022 1417 S HN 0.203 nan 8.310 nan 0.000 0.418 1418 D N 0.321 120.609 120.400 -0.187 0.000 2.621 1418 D HA 0.252 4.893 4.640 0.000 0.000 0.274 1418 D C -0.655 175.561 176.300 -0.140 0.000 1.215 1418 D CA -0.109 53.803 54.000 -0.146 0.000 0.810 1418 D CB 0.533 41.270 40.800 -0.106 0.000 1.248 1418 D HN 0.245 nan 8.370 nan 0.000 0.517 1419 R N 1.880 122.287 120.500 -0.155 0.000 3.130 1419 R HA 0.070 4.410 4.340 0.000 0.000 0.348 1419 R C 0.654 176.930 176.300 -0.040 0.000 1.241 1419 R CA -0.217 55.806 56.100 -0.130 0.000 1.141 1419 R CB -0.090 30.088 30.300 -0.203 0.000 1.453 1419 R HN 0.028 nan 8.270 nan 0.000 0.590 1420 N N -0.579 118.122 118.700 0.002 0.000 2.461 1420 N HA -0.071 4.669 4.740 0.000 0.000 0.188 1420 N C -0.345 175.193 175.510 0.046 0.000 1.134 1420 N CA 0.290 53.381 53.050 0.069 0.000 0.878 1420 N CB 0.438 38.970 38.487 0.075 0.000 0.972 1420 N HN 0.174 nan 8.380 nan 0.000 0.456 1421 T N -1.809 112.747 114.554 0.003 0.000 2.881 1421 T HA 0.566 4.916 4.350 0.000 0.000 0.291 1421 T C -0.966 173.714 174.700 -0.034 0.000 0.990 1421 T CA -0.989 61.108 62.100 -0.004 0.000 0.976 1421 T CB 1.459 70.319 68.868 -0.013 0.000 0.970 1421 T HN 0.059 nan 8.240 nan 0.000 0.438 1422 L N 3.682 124.881 121.223 -0.039 0.000 2.362 1422 L HA 0.791 5.131 4.340 0.000 0.000 0.271 1422 L C -1.434 175.361 176.870 -0.125 0.000 1.002 1422 L CA -1.256 53.525 54.840 -0.099 0.000 0.818 1422 L CB 1.612 43.587 42.059 -0.140 0.000 1.298 1422 L HN 0.829 nan 8.230 nan 0.000 0.420 1423 I N 6.289 126.751 120.570 -0.181 0.000 2.439 1423 I HA 0.387 4.557 4.170 0.000 0.000 0.283 1423 I C -0.831 175.055 176.117 -0.386 0.000 1.023 1423 I CA -0.329 60.794 61.300 -0.296 0.000 1.100 1423 I CB 1.582 39.374 38.000 -0.347 0.000 1.238 1423 I HN 0.473 nan 8.210 nan 0.000 0.445 1424 I N 6.675 127.038 120.570 -0.346 0.000 2.330 1424 I HA 0.253 4.423 4.170 0.000 0.000 0.286 1424 I C -0.687 175.291 176.117 -0.231 0.000 1.025 1424 I CA -0.659 60.492 61.300 -0.248 0.000 1.197 1424 I CB 0.471 38.375 38.000 -0.161 0.000 1.358 1424 I HN 0.388 nan 8.210 nan 0.000 0.467 1425 Y N 6.469 126.760 120.300 -0.015 0.000 2.465 1425 Y HA 0.290 4.840 4.550 0.000 0.000 0.331 1425 Y C 0.295 176.217 175.900 0.037 0.000 1.102 1425 Y CA -0.027 58.093 58.100 0.033 0.000 1.358 1425 Y CB 0.408 38.961 38.460 0.155 0.000 1.213 1425 Y HN 0.365 nan 8.280 nan 0.000 0.525 1426 L N 3.439 124.743 121.223 0.135 0.000 2.331 1426 L HA 0.339 4.680 4.340 0.000 0.000 0.275 1426 L C 0.195 177.119 176.870 0.091 0.000 1.022 1426 L CA -0.706 54.189 54.840 0.092 0.000 0.812 1426 L CB 1.594 43.684 42.059 0.050 0.000 1.257 1426 L HN 0.603 nan 8.230 nan 0.000 0.435 1427 D N 0.879 121.320 120.400 0.068 0.000 2.216 1427 D HA 0.020 4.660 4.640 0.000 0.000 0.208 1427 D C 0.065 176.391 176.300 0.044 0.000 0.960 1427 D CA 1.060 55.085 54.000 0.042 0.000 0.861 1427 D CB 0.399 41.213 40.800 0.023 0.000 0.985 1427 D HN 0.504 nan 8.370 nan 0.000 0.493 1428 K N -0.905 119.523 120.400 0.047 0.000 2.587 1428 K HA 0.499 4.819 4.320 0.000 0.000 0.276 1428 K C -1.461 175.168 176.600 0.048 0.000 0.956 1428 K CA -0.994 55.318 56.287 0.040 0.000 0.857 1428 K CB 2.137 34.653 32.500 0.026 0.000 1.431 1428 K HN -0.165 nan 8.250 nan 0.000 0.420 1429 V N -1.409 118.533 119.914 0.047 0.000 2.488 1429 V HA 0.460 4.580 4.120 0.000 0.000 0.293 1429 V C 0.017 176.152 176.094 0.068 0.000 1.027 1429 V CA -0.723 61.622 62.300 0.075 0.000 0.862 1429 V CB 1.100 33.012 31.823 0.149 0.000 1.008 1429 V HN 0.889 nan 8.190 nan 0.000 0.428 1430 S N 3.215 118.944 115.700 0.048 0.000 2.558 1430 S HA 0.071 4.541 4.470 0.000 0.000 0.287 1430 S C 1.195 175.835 174.600 0.067 0.000 1.321 1430 S CA 0.570 58.777 58.200 0.011 0.000 1.048 1430 S CB 0.135 63.303 63.200 -0.054 0.000 0.844 1430 S HN 1.184 nan 8.310 nan 0.000 0.512 1431 H N 2.201 121.323 119.070 0.087 0.000 2.551 1431 H HA 0.300 4.856 4.556 0.000 0.000 0.271 1431 H C 1.199 176.565 175.328 0.063 0.000 0.984 1431 H CA 0.298 56.416 56.048 0.117 0.000 1.164 1431 H CB -0.172 29.690 29.762 0.167 0.000 1.437 1431 H HN 0.438 nan 8.280 nan 0.000 0.550 1432 S N 0.667 116.197 115.700 -0.283 0.000 2.297 1432 S HA 0.030 4.500 4.470 0.000 0.000 0.200 1432 S C 0.842 175.412 174.600 -0.050 0.000 1.011 1432 S CA 0.139 58.237 58.200 -0.170 0.000 0.938 1432 S CB 0.426 63.491 63.200 -0.226 0.000 0.924 1432 S HN 0.466 nan 8.310 nan 0.000 0.504 1433 E N 0.915 121.086 120.200 -0.048 0.000 3.099 1433 E HA 0.307 4.657 4.350 0.000 0.000 0.259 1433 E C -1.260 175.347 176.600 0.011 0.000 1.274 1433 E CA -0.590 55.803 56.400 -0.012 0.000 1.111 1433 E CB 0.287 29.978 29.700 -0.014 0.000 1.327 1433 E HN 0.146 nan 8.360 nan 0.000 0.652 1434 D N 1.052 121.463 120.400 0.019 0.000 2.303 1434 D HA 0.209 4.849 4.640 0.000 0.000 0.236 1434 D C -1.275 175.043 176.300 0.031 0.000 1.068 1434 D CA -0.381 53.640 54.000 0.035 0.000 0.830 1434 D CB 0.984 41.803 40.800 0.033 0.000 1.109 1434 D HN 0.118 nan 8.370 nan 0.000 0.496 1435 D N 1.711 122.138 120.400 0.045 0.000 2.470 1435 D HA 0.106 4.746 4.640 0.000 0.000 0.226 1435 D C -0.214 176.108 176.300 0.037 0.000 1.196 1435 D CA -0.123 53.901 54.000 0.039 0.000 0.979 1435 D CB -0.115 40.715 40.800 0.050 0.000 1.059 1435 D HN 0.195 nan 8.370 nan 0.000 0.515 1436 c N 3.008 121.622 118.600 0.024 0.000 2.350 1436 c HA 0.680 5.250 4.570 0.000 0.000 0.348 1436 c C 0.237 174.336 174.090 0.016 0.000 1.260 1436 c CA -0.845 55.493 56.329 0.016 0.000 1.966 1436 c CB -0.657 41.855 42.510 0.004 0.000 2.380 1436 c HN 0.491 nan 8.230 nan 0.000 0.535 1437 L N 1.678 122.912 121.223 0.018 0.000 2.277 1437 L HA 1.120 5.460 4.340 0.000 0.000 0.254 1437 L C -0.302 176.580 176.870 0.020 0.000 1.044 1437 L CA -0.956 53.905 54.840 0.035 0.000 0.842 1437 L CB 0.875 42.974 42.059 0.065 0.000 1.422 1437 L HN 0.788 nan 8.230 nan 0.000 0.422 1438 A N 0.196 123.048 122.820 0.054 0.000 2.608 1438 A HA 0.903 5.223 4.320 0.000 0.000 0.292 1438 A C -1.648 176.001 177.584 0.110 0.000 1.066 1438 A CA -0.351 51.668 52.037 -0.029 0.000 0.676 1438 A CB 1.363 20.307 19.000 -0.093 0.000 1.277 1438 A HN 1.510 nan 8.150 nan 0.000 0.413 1439 F N -1.004 118.904 119.950 -0.071 0.000 2.665 1439 F HA 0.690 5.217 4.527 0.000 0.000 0.308 1439 F C -0.554 175.206 175.800 -0.067 0.000 1.112 1439 F CA -1.044 56.922 58.000 -0.056 0.000 0.972 1439 F CB 0.954 39.924 39.000 -0.051 0.000 1.295 1439 F HN 0.538 nan 8.300 nan 0.000 0.440 1440 K N 1.627 122.082 120.400 0.091 0.000 2.319 1440 K HA 0.584 4.904 4.320 0.000 0.000 0.265 1440 K C -0.790 175.831 176.600 0.036 0.000 1.000 1440 K CA -0.567 55.697 56.287 -0.038 0.000 0.943 1440 K CB 1.434 33.893 32.500 -0.070 0.000 0.950 1440 K HN 0.681 nan 8.250 nan 0.000 0.485 1441 V N -0.334 119.538 119.914 -0.070 0.000 2.445 1441 V HA 0.264 4.384 4.120 0.000 0.000 0.283 1441 V C -0.447 175.757 176.094 0.183 0.000 1.014 1441 V CA -1.032 61.343 62.300 0.125 0.000 0.852 1441 V CB 0.840 32.732 31.823 0.115 0.000 1.021 1441 V HN 0.667 nan 8.190 nan 0.000 0.435 1442 H N 2.992 122.302 119.070 0.400 0.000 2.546 1442 H HA 0.394 4.950 4.556 0.000 0.000 0.365 1442 H C -0.437 175.067 175.328 0.293 0.000 1.220 1442 H CA -0.164 56.085 56.048 0.335 0.000 1.386 1442 H CB 2.011 31.952 29.762 0.298 0.000 1.510 1442 H HN 0.809 nan 8.280 nan 0.000 0.591 1443 Q N 2.265 122.141 119.800 0.126 0.000 2.466 1443 Q HA 0.070 4.410 4.340 0.000 0.000 0.242 1443 Q C -0.060 175.826 176.000 -0.191 0.000 1.046 1443 Q CA -0.664 54.912 55.803 -0.378 0.000 0.841 1443 Q CB 0.238 28.556 28.738 -0.701 0.000 1.193 1443 Q HN 0.690 nan 8.270 nan 0.000 0.508 1444 Y N 3.052 123.306 120.300 -0.077 0.000 2.420 1444 Y HA 0.238 4.788 4.550 0.000 0.000 0.292 1444 Y C -0.400 175.502 175.900 0.004 0.000 1.119 1444 Y CA -0.229 57.841 58.100 -0.050 0.000 1.229 1444 Y CB 0.250 38.743 38.460 0.056 0.000 1.026 1444 Y HN 0.396 nan 8.280 nan 0.000 0.554 1445 F N 2.298 121.764 119.950 -0.805 0.000 2.529 1445 F HA 0.452 4.979 4.527 0.000 0.000 0.320 1445 F C -0.966 174.558 175.800 -0.460 0.000 1.118 1445 F CA -1.489 56.192 58.000 -0.532 0.000 0.915 1445 F CB 1.100 39.767 39.000 -0.554 0.000 1.161 1445 F HN -0.091 nan 8.300 nan 0.000 0.445 1446 N N 4.911 123.152 118.700 -0.764 0.000 2.419 1446 N HA 0.581 5.321 4.740 0.000 0.000 0.277 1446 N C -1.907 173.345 175.510 -0.430 0.000 1.006 1446 N CA -0.068 52.689 53.050 -0.488 0.000 0.923 1446 N CB 1.903 40.162 38.487 -0.381 0.000 1.140 1446 N HN 0.616 nan 8.380 nan 0.000 0.488 1447 V N 3.076 122.906 119.914 -0.140 0.000 2.924 1447 V HA 0.271 4.391 4.120 0.000 0.000 0.300 1447 V C -0.780 175.328 176.094 0.023 0.000 1.227 1447 V CA -0.865 61.428 62.300 -0.012 0.000 0.954 1447 V CB 1.805 33.735 31.823 0.177 0.000 1.055 1447 V HN 0.817 nan 8.190 nan 0.000 0.429 1448 E N 6.591 126.804 120.200 0.022 0.000 2.404 1448 E HA 0.456 4.806 4.350 0.000 0.000 0.261 1448 E C -0.313 176.330 176.600 0.071 0.000 1.074 1448 E CA -0.310 56.111 56.400 0.036 0.000 0.917 1448 E CB 0.591 30.302 29.700 0.019 0.000 0.965 1448 E HN 0.846 nan 8.360 nan 0.000 0.433 1449 L N 1.166 122.440 121.223 0.084 0.000 3.546 1449 L HA -0.249 4.091 4.340 0.000 0.000 0.668 1449 L C -0.247 176.713 176.870 0.150 0.000 1.139 1449 L CA 0.032 54.939 54.840 0.112 0.000 1.122 1449 L CB -1.891 40.225 42.059 0.095 0.000 1.545 1449 L HN 0.603 nan 8.230 nan 0.000 0.851 1450 I N -1.355 119.320 120.570 0.175 0.000 2.764 1450 I HA 0.472 4.642 4.170 0.000 0.000 0.294 1450 I C 0.497 176.736 176.117 0.203 0.000 1.045 1450 I CA -0.104 61.308 61.300 0.186 0.000 1.340 1450 I CB 0.823 38.939 38.000 0.194 0.000 1.436 1450 I HN 0.401 nan 8.210 nan 0.000 0.567 1451 Q N 4.485 124.390 119.800 0.176 0.000 2.256 1451 Q HA 0.481 4.821 4.340 0.000 0.000 0.254 1451 Q C -2.414 173.635 176.000 0.081 0.000 0.916 1451 Q CA -1.965 53.920 55.803 0.137 0.000 0.932 1451 Q CB 1.143 29.974 28.738 0.156 0.000 1.207 1451 Q HN 0.499 nan 8.270 nan 0.000 0.426 1452 P HA 0.022 nan 4.420 nan 0.000 0.267 1452 P C -0.449 176.755 177.300 -0.160 0.000 1.200 1452 P CA 0.083 63.180 63.100 -0.006 0.000 0.772 1452 P CB 0.671 32.384 31.700 0.021 0.000 0.855 1453 G N 0.744 109.167 108.800 -0.628 0.000 2.557 1453 G HA2 0.635 4.595 3.960 0.000 0.000 0.292 1453 G HA3 0.635 4.595 3.960 0.000 0.000 0.292 1453 G C -1.226 173.468 174.900 -0.344 0.000 1.237 1453 G CA -0.380 44.308 45.100 -0.687 0.000 0.978 1453 G HN 0.651 nan 8.290 nan 0.000 0.498 1454 A N -1.367 121.408 122.820 -0.075 0.000 2.547 1454 A HA 0.651 4.971 4.320 0.000 0.000 0.297 1454 A C -1.355 176.209 177.584 -0.033 0.000 1.056 1454 A CA -0.406 51.522 52.037 -0.181 0.000 0.688 1454 A CB 1.816 20.542 19.000 -0.457 0.000 1.282 1454 A HN 1.179 nan 8.150 nan 0.000 0.400 1455 V N 1.717 121.573 119.914 -0.096 0.000 2.588 1455 V HA 0.637 4.757 4.120 0.000 0.000 0.304 1455 V C -0.132 175.897 176.094 -0.108 0.000 1.042 1455 V CA -0.614 61.655 62.300 -0.051 0.000 0.877 1455 V CB 1.848 33.663 31.823 -0.014 0.000 0.996 1455 V HN 0.924 nan 8.190 nan 0.000 0.425 1456 K N 3.336 123.691 120.400 -0.074 0.000 2.378 1456 K HA 0.832 5.153 4.320 0.000 0.000 0.252 1456 K C -1.306 175.253 176.600 -0.069 0.000 0.931 1456 K CA -0.583 55.672 56.287 -0.053 0.000 0.794 1456 K CB 2.285 34.791 32.500 0.010 0.000 1.181 1456 K HN 0.642 nan 8.250 nan 0.000 0.425 1457 V N 1.292 121.111 119.914 -0.159 0.000 2.735 1457 V HA 0.818 4.938 4.120 0.000 0.000 0.310 1457 V C -1.380 174.397 176.094 -0.528 0.000 1.061 1457 V CA -0.578 61.472 62.300 -0.416 0.000 0.913 1457 V CB 0.815 32.301 31.823 -0.561 0.000 1.005 1457 V HN 0.905 nan 8.190 nan 0.000 0.428 1458 Y N 1.509 121.465 120.300 -0.573 0.000 2.774 1458 Y HA 0.899 5.449 4.550 0.000 0.000 0.346 1458 Y C -0.290 175.533 175.900 -0.129 0.000 1.222 1458 Y CA -0.877 56.991 58.100 -0.387 0.000 1.088 1458 Y CB 0.552 38.881 38.460 -0.218 0.000 1.354 1458 Y HN 1.100 nan 8.280 nan 0.000 0.455 1459 A N 0.920 123.776 122.820 0.060 0.000 2.272 1459 A HA 0.429 4.749 4.320 0.000 0.000 0.275 1459 A C 0.150 177.687 177.584 -0.078 0.000 1.096 1459 A CA -0.082 51.871 52.037 -0.139 0.000 0.822 1459 A CB -0.234 18.360 19.000 -0.677 0.000 1.088 1459 A HN 1.314 nan 8.150 nan 0.000 0.495 1460 Y N -1.006 119.262 120.300 -0.053 0.000 2.516 1460 Y HA -0.034 4.516 4.550 0.000 0.000 0.291 1460 Y C 1.361 177.342 175.900 0.135 0.000 1.131 1460 Y CA 1.397 59.552 58.100 0.091 0.000 1.281 1460 Y CB -0.734 37.802 38.460 0.128 0.000 1.013 1460 Y HN 0.674 nan 8.280 nan 0.000 0.554 1461 Y N -0.463 119.520 120.300 -0.530 0.000 2.522 1461 Y HA 0.331 4.881 4.550 0.000 0.000 0.277 1461 Y C 0.181 176.013 175.900 -0.114 0.000 1.104 1461 Y CA -0.709 57.151 58.100 -0.400 0.000 1.260 1461 Y CB -0.341 37.764 38.460 -0.593 0.000 1.151 1461 Y HN 0.091 nan 8.280 nan 0.000 0.539 1462 N N 1.406 119.836 118.700 -0.449 0.000 2.479 1462 N HA 0.261 5.001 4.740 0.000 0.000 0.261 1462 N C -0.100 175.355 175.510 -0.091 0.000 0.979 1462 N CA -0.250 52.702 53.050 -0.162 0.000 0.930 1462 N CB 1.579 39.999 38.487 -0.113 0.000 1.172 1462 N HN 0.370 nan 8.380 nan 0.000 0.499 1463 L N 3.486 124.663 121.223 -0.077 0.000 2.221 1463 L HA 0.141 4.481 4.340 0.000 0.000 0.202 1463 L C 1.612 178.379 176.870 -0.172 0.000 1.074 1463 L CA 0.842 55.561 54.840 -0.202 0.000 0.795 1463 L CB 0.027 41.948 42.059 -0.230 0.000 0.960 1463 L HN 0.533 nan 8.230 nan 0.000 0.458 1464 E N 0.915 121.065 120.200 -0.083 0.000 2.049 1464 E HA -0.213 4.137 4.350 0.000 0.000 0.198 1464 E C 0.373 176.966 176.600 -0.013 0.000 1.007 1464 E CA 1.182 57.554 56.400 -0.046 0.000 0.809 1464 E CB -0.196 29.494 29.700 -0.017 0.000 0.749 1464 E HN 0.474 nan 8.360 nan 0.000 0.450 1465 E N 0.948 121.164 120.200 0.028 0.000 1.944 1465 E HA 0.193 4.543 4.350 0.000 0.000 0.272 1465 E C -0.538 176.148 176.600 0.144 0.000 1.195 1465 E CA -0.227 56.227 56.400 0.091 0.000 0.926 1465 E CB 0.224 29.997 29.700 0.122 0.000 1.051 1465 E HN 0.147 nan 8.360 nan 0.000 0.404 1466 S N 1.375 117.133 115.700 0.098 0.000 2.705 1466 S HA 0.598 5.068 4.470 0.000 0.000 0.280 1466 S C -1.090 173.540 174.600 0.051 0.000 1.174 1466 S CA -1.011 57.221 58.200 0.053 0.000 0.823 1466 S CB 2.038 65.218 63.200 -0.033 0.000 1.162 1466 S HN 0.449 nan 8.310 nan 0.000 0.487 1467 c N 1.429 120.018 118.600 -0.020 0.000 2.608 1467 c HA 0.830 5.400 4.570 0.000 0.000 0.325 1467 c C -0.912 173.150 174.090 -0.047 0.000 1.147 1467 c CA 0.160 56.495 56.329 0.010 0.000 1.359 1467 c CB 0.546 43.103 42.510 0.079 0.000 1.912 1467 c HN 0.959 nan 8.230 nan 0.000 0.466 1468 T N 6.444 120.967 114.554 -0.052 0.000 2.812 1468 T HA 0.624 4.974 4.350 0.000 0.000 0.282 1468 T C -0.604 173.979 174.700 -0.196 0.000 0.990 1468 T CA -0.557 61.451 62.100 -0.153 0.000 0.960 1468 T CB 0.898 69.649 68.868 -0.194 0.000 0.948 1468 T HN 0.668 nan 8.240 nan 0.000 0.438 1469 R N 1.823 122.176 120.500 -0.244 0.000 2.778 1469 R HA 0.662 5.002 4.340 0.000 0.000 0.277 1469 R C -1.189 174.921 176.300 -0.316 0.000 0.977 1469 R CA -0.872 55.138 56.100 -0.150 0.000 0.950 1469 R CB 1.321 31.620 30.300 -0.002 0.000 1.165 1469 R HN 0.499 nan 8.270 nan 0.000 0.474 1470 F N 1.349 121.343 119.950 0.073 0.000 2.492 1470 F HA 0.455 4.982 4.527 0.000 0.000 0.327 1470 F C -0.004 175.859 175.800 0.104 0.000 1.079 1470 F CA -0.914 57.111 58.000 0.042 0.000 0.967 1470 F CB 1.246 40.235 39.000 -0.019 0.000 1.169 1470 F HN 0.389 nan 8.300 nan 0.000 0.472 1471 Y N 0.125 120.534 120.300 0.181 0.000 2.462 1471 Y HA 0.708 5.258 4.550 0.000 0.000 0.346 1471 Y C -1.318 174.654 175.900 0.120 0.000 0.976 1471 Y CA -1.008 57.149 58.100 0.094 0.000 1.044 1471 Y CB 1.413 39.869 38.460 -0.008 0.000 1.230 1471 Y HN 0.705 nan 8.280 nan 0.000 0.455 1472 H N 4.151 123.264 119.070 0.071 0.000 2.974 1472 H HA 0.298 4.854 4.556 0.000 0.000 0.366 1472 H C -2.538 172.800 175.328 0.017 0.000 1.155 1472 H CA -2.146 53.893 56.048 -0.014 0.000 1.186 1472 H CB 3.178 32.916 29.762 -0.040 0.000 1.799 1472 H HN 0.491 nan 8.280 nan 0.000 0.541 1473 P HA -0.120 nan 4.420 nan 0.000 0.216 1473 P C 0.509 177.834 177.300 0.042 0.000 1.153 1473 P CA 1.546 64.548 63.100 -0.163 0.000 0.858 1473 P CB 0.686 32.223 31.700 -0.271 0.000 0.789 1474 E N -0.920 119.441 120.200 0.268 0.000 2.110 1474 E HA 0.081 4.431 4.350 0.000 0.000 0.194 1474 E C 0.307 177.042 176.600 0.226 0.000 0.944 1474 E CA -0.087 56.465 56.400 0.253 0.000 0.899 1474 E CB -0.169 29.672 29.700 0.235 0.000 0.907 1474 E HN 0.137 nan 8.360 nan 0.000 0.473 1475 K N 2.632 123.149 120.400 0.195 0.000 2.491 1475 K HA -0.037 4.283 4.320 0.000 0.000 0.279 1475 K C 0.057 176.677 176.600 0.033 0.000 1.026 1475 K CA 0.201 56.444 56.287 -0.075 0.000 1.070 1475 K CB 0.366 32.602 32.500 -0.440 0.000 0.887 1475 K HN 0.156 nan 8.250 nan 0.000 0.481 1476 E N 2.924 123.134 120.200 0.015 0.000 2.413 1476 E HA -0.107 4.243 4.350 0.000 0.000 0.263 1476 E C -0.303 176.326 176.600 0.048 0.000 1.015 1476 E CA 0.139 56.562 56.400 0.038 0.000 0.916 1476 E CB 0.346 30.059 29.700 0.022 0.000 0.947 1476 E HN 0.660 nan 8.360 nan 0.000 0.440 1477 D N 2.392 122.840 120.400 0.079 0.000 2.782 1477 D HA -0.253 4.387 4.640 0.000 0.000 0.231 1477 D C 0.675 177.059 176.300 0.140 0.000 1.163 1477 D CA 1.127 55.193 54.000 0.110 0.000 0.680 1477 D CB -1.875 38.980 40.800 0.093 0.000 1.062 1477 D HN 0.886 nan 8.370 nan 0.000 0.425 1478 G N -1.557 107.321 108.800 0.129 0.000 2.233 1478 G HA2 -0.412 3.548 3.960 0.000 0.000 0.270 1478 G HA3 -0.412 3.548 3.960 0.000 0.000 0.270 1478 G C 0.344 175.214 174.900 -0.050 0.000 1.011 1478 G CA 0.681 45.849 45.100 0.114 0.000 0.762 1478 G HN 0.688 nan 8.290 nan 0.000 0.511 1479 K N -0.542 119.807 120.400 -0.085 0.000 2.118 1479 K HA 0.708 5.028 4.320 0.000 0.000 0.264 1479 K C 0.913 177.395 176.600 -0.197 0.000 1.000 1479 K CA -0.563 55.624 56.287 -0.167 0.000 0.929 1479 K CB 0.642 33.087 32.500 -0.091 0.000 1.021 1479 K HN 0.211 nan 8.250 nan 0.000 0.463 1480 L N 2.912 124.013 121.223 -0.204 0.000 2.312 1480 L HA 0.295 4.635 4.340 0.000 0.000 0.281 1480 L C -0.111 176.685 176.870 -0.124 0.000 1.070 1480 L CA -0.935 53.799 54.840 -0.176 0.000 0.805 1480 L CB 0.804 42.765 42.059 -0.164 0.000 1.174 1480 L HN 0.528 nan 8.230 nan 0.000 0.434 1481 N N 4.084 122.716 118.700 -0.114 0.000 2.417 1481 N HA 0.067 4.807 4.740 0.000 0.000 0.272 1481 N C -0.693 174.777 175.510 -0.066 0.000 1.304 1481 N CA 0.326 53.328 53.050 -0.082 0.000 0.906 1481 N CB 0.115 38.557 38.487 -0.075 0.000 1.135 1481 N HN 0.486 nan 8.380 nan 0.000 0.483 1482 K N 0.141 120.507 120.400 -0.057 0.000 2.553 1482 K HA 0.327 4.647 4.320 0.000 0.000 0.250 1482 K C -1.164 175.402 176.600 -0.058 0.000 0.953 1482 K CA -1.004 55.251 56.287 -0.053 0.000 0.800 1482 K CB 1.314 33.792 32.500 -0.036 0.000 1.243 1482 K HN 0.104 nan 8.250 nan 0.000 0.435 1483 L N 3.411 124.560 121.223 -0.123 0.000 2.485 1483 L HA 0.191 4.531 4.340 0.000 0.000 0.279 1483 L C -1.167 175.647 176.870 -0.092 0.000 1.124 1483 L CA 0.190 54.912 54.840 -0.197 0.000 0.888 1483 L CB -0.183 41.577 42.059 -0.498 0.000 1.217 1483 L HN 0.789 nan 8.230 nan 0.000 0.464 1484 c N 5.665 124.299 118.600 0.056 0.000 2.355 1484 c HA 0.698 5.268 4.570 0.000 0.000 0.332 1484 c C 0.259 174.516 174.090 0.278 0.000 1.255 1484 c CA -0.797 55.636 56.329 0.173 0.000 1.792 1484 c CB 0.940 43.517 42.510 0.112 0.000 2.300 1484 c HN 0.874 nan 8.230 nan 0.000 0.515 1485 R N 2.711 123.422 120.500 0.352 0.000 2.510 1485 R HA 0.377 4.717 4.340 0.000 0.000 0.294 1485 R C -0.407 175.962 176.300 0.114 0.000 1.056 1485 R CA -0.155 56.109 56.100 0.273 0.000 0.918 1485 R CB 0.590 31.123 30.300 0.388 0.000 1.187 1485 R HN 0.945 nan 8.270 nan 0.000 0.437 1486 D N 2.589 123.038 120.400 0.083 0.000 4.508 1486 D HA -0.272 4.368 4.640 0.000 0.000 0.178 1486 D C -0.272 176.051 176.300 0.038 0.000 0.644 1486 D CA 2.083 56.105 54.000 0.037 0.000 1.244 1486 D CB -0.283 40.511 40.800 -0.012 0.000 0.727 1486 D HN 0.800 nan 8.370 nan 0.000 0.495 1487 E N -0.235 119.975 120.200 0.016 0.000 3.521 1487 E HA 0.373 4.723 4.350 0.000 0.000 0.183 1487 E C -0.831 175.776 176.600 0.012 0.000 0.981 1487 E CA -0.213 56.197 56.400 0.016 0.000 1.349 1487 E CB 1.009 30.707 29.700 -0.003 0.000 1.102 1487 E HN 0.137 nan 8.360 nan 0.000 0.449 1488 L N 0.983 122.234 121.223 0.047 0.000 2.457 1488 L HA 0.447 4.787 4.340 0.000 0.000 0.266 1488 L C -1.472 175.549 176.870 0.251 0.000 0.979 1488 L CA -0.524 54.359 54.840 0.072 0.000 0.857 1488 L CB 0.991 43.016 42.059 -0.056 0.000 1.213 1488 L HN 0.048 nan 8.230 nan 0.000 0.418 1489 c N 4.522 123.234 118.600 0.187 0.000 2.417 1489 c HA 0.812 5.382 4.570 0.000 0.000 0.324 1489 c C -0.198 173.976 174.090 0.141 0.000 1.240 1489 c CA -0.801 55.638 56.329 0.182 0.000 1.632 1489 c CB 1.547 44.107 42.510 0.084 0.000 2.241 1489 c HN 0.870 nan 8.230 nan 0.000 0.499 1490 R N 1.631 122.190 120.500 0.098 0.000 2.494 1490 R HA 0.615 4.955 4.340 0.000 0.000 0.305 1490 R C -0.575 175.722 176.300 -0.004 0.000 0.959 1490 R CA -0.315 55.820 56.100 0.058 0.000 0.864 1490 R CB 0.663 31.015 30.300 0.086 0.000 1.159 1490 R HN 0.707 nan 8.270 nan 0.000 0.446 1491 c N 3.086 121.695 118.600 0.015 0.000 2.590 1491 c HA 0.286 4.856 4.570 0.000 0.000 0.411 1491 c C 1.258 175.343 174.090 -0.009 0.000 1.420 1491 c CA 0.454 56.785 56.329 0.003 0.000 1.643 1491 c CB -0.910 41.617 42.510 0.028 0.000 2.528 1491 c HN 0.906 nan 8.230 nan 0.000 0.606 1492 A N 5.117 127.917 122.820 -0.033 0.000 2.574 1492 A HA 0.285 4.605 4.320 0.000 0.000 0.283 1492 A C 0.820 178.384 177.584 -0.033 0.000 1.270 1492 A CA 0.035 52.049 52.037 -0.039 0.000 0.945 1492 A CB -0.148 18.814 19.000 -0.062 0.000 1.127 1492 A HN 0.878 nan 8.150 nan 0.000 0.522 1493 E N 2.048 122.234 120.200 -0.024 0.000 2.346 1493 E HA 0.107 4.457 4.350 0.000 0.000 0.317 1493 E C 0.090 176.685 176.600 -0.008 0.000 1.404 1493 E CA 0.230 56.616 56.400 -0.024 0.000 1.534 1493 E CB -0.372 29.312 29.700 -0.027 0.000 1.309 1493 E HN 0.900 nan 8.360 nan 0.000 0.499 1494 E N -0.640 119.549 120.200 -0.018 0.000 2.433 1494 E HA 0.361 4.711 4.350 0.000 0.000 0.264 1494 E C -0.420 176.151 176.600 -0.048 0.000 0.960 1494 E CA -1.003 55.385 56.400 -0.020 0.000 0.866 1494 E CB 0.487 30.181 29.700 -0.009 0.000 1.615 1494 E HN -0.192 nan 8.360 nan 0.000 0.442 1495 N N -0.374 118.286 118.700 -0.068 0.000 2.371 1495 N HA 0.074 4.815 4.740 0.000 0.000 0.243 1495 N C 0.675 176.097 175.510 -0.146 0.000 1.287 1495 N CA -0.252 52.720 53.050 -0.129 0.000 0.911 1495 N CB 0.328 38.720 38.487 -0.158 0.000 1.142 1495 N HN 0.529 nan 8.380 nan 0.000 0.451 1496 c N -0.232 118.215 118.600 -0.254 0.000 2.473 1496 c HA 0.026 4.596 4.570 0.000 0.000 0.279 1496 c C 1.046 175.087 174.090 -0.082 0.000 1.250 1496 c CA 0.696 56.907 56.329 -0.198 0.000 1.713 1496 c CB -1.222 41.113 42.510 -0.292 0.000 2.066 1496 c HN 0.780 nan 8.230 nan 0.000 0.474 1497 F N -2.606 117.282 119.950 -0.103 0.000 3.084 1497 F HA 0.618 5.145 4.527 0.000 0.000 0.336 1497 F C 0.802 176.538 175.800 -0.108 0.000 1.230 1497 F CA -1.152 56.775 58.000 -0.121 0.000 0.993 1497 F CB -0.405 38.476 39.000 -0.198 0.000 1.496 1497 F HN -0.178 nan 8.300 nan 0.000 0.522 1498 I N 0.265 120.960 120.570 0.209 0.000 2.040 1498 I HA -0.145 4.025 4.170 0.000 0.000 0.224 1498 I C 1.008 177.140 176.117 0.024 0.000 1.038 1498 I CA 2.031 63.392 61.300 0.102 0.000 1.330 1498 I CB -0.415 37.669 38.000 0.139 0.000 1.076 1498 I HN 0.788 nan 8.210 nan 0.000 0.388 1499 Q N -0.209 119.614 119.800 0.039 0.000 2.922 1499 Q HA 0.479 4.819 4.340 0.000 0.000 0.392 1499 Q C -1.038 174.965 176.000 0.004 0.000 0.689 1499 Q CA -0.965 54.828 55.803 -0.016 0.000 0.905 1499 Q CB 1.453 30.196 28.738 0.008 0.000 1.222 1499 Q HN 0.067 nan 8.270 nan 0.000 0.432 1504 K N 0.473 120.897 120.400 0.041 0.000 2.502 1504 K HA 0.187 4.507 4.320 0.000 0.000 0.211 1504 K C 0.126 176.760 176.600 0.056 0.000 1.259 1504 K CA 0.403 56.712 56.287 0.036 0.000 0.983 1504 K CB 2.411 34.926 32.500 0.025 0.000 1.054 1504 K HN -0.035 nan 8.250 nan 0.000 0.572 1505 V N 2.148 122.114 119.914 0.086 0.000 5.887 1505 V HA -0.255 3.865 4.120 0.000 0.000 0.167 1505 V C 0.324 176.462 176.094 0.074 0.000 0.718 1505 V CA 0.752 63.126 62.300 0.123 0.000 0.553 1505 V CB -2.940 29.028 31.823 0.241 0.000 0.464 1505 V HN 0.455 nan 8.190 nan 0.000 0.392 1506 T N 0.970 115.552 114.554 0.047 0.000 2.652 1506 T HA 0.436 4.787 4.350 0.000 0.000 0.319 1506 T C 1.200 175.911 174.700 0.018 0.000 1.029 1506 T CA 0.352 62.467 62.100 0.026 0.000 0.990 1506 T CB 1.332 70.212 68.868 0.020 0.000 1.098 1506 T HN 0.685 nan 8.240 nan 0.000 0.520 1507 L N 0.232 121.466 121.223 0.019 0.000 1.994 1507 L HA -0.096 4.244 4.340 0.000 0.000 0.208 1507 L C 2.863 179.764 176.870 0.052 0.000 1.071 1507 L CA 1.792 56.657 54.840 0.041 0.000 0.745 1507 L CB -0.558 41.530 42.059 0.048 0.000 0.892 1507 L HN 0.729 nan 8.230 nan 0.000 0.431 1508 E N -0.073 120.144 120.200 0.028 0.000 2.160 1508 E HA -0.222 4.128 4.350 0.000 0.000 0.195 1508 E C 2.063 178.668 176.600 0.009 0.000 0.991 1508 E CA 1.005 57.414 56.400 0.015 0.000 0.810 1508 E CB -0.130 29.570 29.700 0.001 0.000 0.742 1508 E HN 0.451 nan 8.360 nan 0.000 0.466 1509 E N 0.482 120.689 120.200 0.012 0.000 2.085 1509 E HA -0.165 4.185 4.350 0.000 0.000 0.194 1509 E C 2.062 178.638 176.600 -0.041 0.000 0.994 1509 E CA 1.037 57.444 56.400 0.012 0.000 0.801 1509 E CB -0.186 29.544 29.700 0.050 0.000 0.743 1509 E HN 0.316 nan 8.360 nan 0.000 0.453 1510 R N 0.295 120.742 120.500 -0.089 0.000 2.115 1510 R HA 0.033 4.373 4.340 0.000 0.000 0.226 1510 R C 2.687 178.937 176.300 -0.082 0.000 1.100 1510 R CA 0.512 56.459 56.100 -0.255 0.000 0.980 1510 R CB -0.298 29.676 30.300 -0.543 0.000 0.875 1510 R HN 0.141 nan 8.270 nan 0.000 0.445 1511 L N 0.838 122.120 121.223 0.098 0.000 1.989 1511 L HA -0.231 4.109 4.340 0.000 0.000 0.211 1511 L C 1.691 178.504 176.870 -0.094 0.000 1.071 1511 L CA 1.363 56.232 54.840 0.049 0.000 0.749 1511 L CB -0.512 41.550 42.059 0.004 0.000 0.890 1511 L HN 0.136 nan 8.230 nan 0.000 0.431 1512 D N 0.040 120.391 120.400 -0.082 0.000 2.117 1512 D HA -0.131 4.509 4.640 0.000 0.000 0.198 1512 D C 2.133 178.359 176.300 -0.123 0.000 0.982 1512 D CA 1.106 55.054 54.000 -0.087 0.000 0.828 1512 D CB -0.093 40.682 40.800 -0.043 0.000 0.967 1512 D HN 0.242 nan 8.370 nan 0.000 0.464 1513 K N 0.199 120.513 120.400 -0.144 0.000 2.439 1513 K HA 0.111 4.431 4.320 0.000 0.000 0.197 1513 K C 1.627 177.969 176.600 -0.430 0.000 1.041 1513 K CA 0.656 56.866 56.287 -0.129 0.000 0.970 1513 K CB 0.264 32.779 32.500 0.025 0.000 0.773 1513 K HN 0.029 nan 8.250 nan 0.000 0.479 1514 A N -0.206 122.204 122.820 -0.684 0.000 2.169 1514 A HA 0.015 4.335 4.320 0.000 0.000 0.210 1514 A C 1.553 178.825 177.584 -0.519 0.000 1.168 1514 A CA 0.214 51.635 52.037 -1.027 0.000 0.813 1514 A CB 0.099 18.516 19.000 -0.972 0.000 0.861 1514 A HN 0.302 nan 8.150 nan 0.000 0.481 1515 c N 1.328 119.739 118.600 -0.315 0.000 2.688 1515 c HA 0.257 4.827 4.570 0.000 0.000 0.297 1515 c C 0.575 174.586 174.090 -0.131 0.000 1.308 1515 c CA -0.824 55.387 56.329 -0.197 0.000 1.726 1515 c CB -1.710 40.709 42.510 -0.153 0.000 1.982 1515 c HN 0.508 nan 8.230 nan 0.000 0.604 1516 E N 2.108 122.230 120.200 -0.130 0.000 2.398 1516 E HA 0.040 4.390 4.350 0.000 0.000 0.263 1516 E C -1.494 175.084 176.600 -0.035 0.000 1.046 1516 E CA -0.919 55.447 56.400 -0.058 0.000 0.908 1516 E CB 0.590 30.277 29.700 -0.023 0.000 0.963 1516 E HN 0.142 nan 8.360 nan 0.000 0.431 1517 P HA -0.173 nan 4.420 nan 0.000 0.218 1517 P C 1.159 178.476 177.300 0.028 0.000 1.146 1517 P CA 1.260 64.364 63.100 0.007 0.000 0.813 1517 P CB 0.159 31.868 31.700 0.015 0.000 0.778 1518 G N -0.545 108.278 108.800 0.039 0.000 2.396 1518 G HA2 -0.095 3.865 3.960 0.000 0.000 0.214 1518 G HA3 -0.095 3.865 3.960 0.000 0.000 0.214 1518 G C 0.366 175.312 174.900 0.076 0.000 1.166 1518 G CA 0.035 45.177 45.100 0.070 0.000 0.793 1518 G HN 0.150 nan 8.290 nan 0.000 0.533 1519 V N 1.950 121.884 119.914 0.034 0.000 2.509 1519 V HA 0.050 4.170 4.120 0.000 0.000 0.297 1519 V C 1.132 177.227 176.094 0.003 0.000 1.014 1519 V CA 0.848 63.143 62.300 -0.008 0.000 1.127 1519 V CB 1.202 32.930 31.823 -0.158 0.000 0.925 1519 V HN 0.367 nan 8.190 nan 0.000 0.480 1520 D N 3.594 124.029 120.400 0.058 0.000 2.725 1520 D HA 0.056 4.696 4.640 0.000 0.000 0.269 1520 D C 0.272 176.679 176.300 0.178 0.000 1.018 1520 D CA 0.513 54.620 54.000 0.177 0.000 0.956 1520 D CB 0.382 41.415 40.800 0.389 0.000 1.141 1520 D HN 0.586 nan 8.370 nan 0.000 0.478 1521 Y N -0.542 119.827 120.300 0.115 0.000 2.393 1521 Y HA 0.687 5.237 4.550 0.000 0.000 0.341 1521 Y C -1.134 174.635 175.900 -0.218 0.000 0.988 1521 Y CA -1.431 56.597 58.100 -0.120 0.000 1.078 1521 Y CB 1.737 40.204 38.460 0.012 0.000 1.203 1521 Y HN -0.276 nan 8.280 nan 0.000 0.453 1522 V N 5.391 125.073 119.914 -0.387 0.000 2.398 1522 V HA 0.335 4.455 4.120 0.000 0.000 0.282 1522 V C -1.332 174.669 176.094 -0.154 0.000 1.014 1522 V CA -0.792 61.430 62.300 -0.131 0.000 0.838 1522 V CB -0.194 31.616 31.823 -0.021 0.000 1.018 1522 V HN 0.752 nan 8.190 nan 0.000 0.432 1523 Y N 1.761 122.259 120.300 0.330 0.000 2.549 1523 Y HA 0.583 5.133 4.550 0.000 0.000 0.339 1523 Y C 0.309 176.314 175.900 0.174 0.000 1.053 1523 Y CA -1.586 56.645 58.100 0.219 0.000 1.105 1523 Y CB 1.844 40.415 38.460 0.185 0.000 1.258 1523 Y HN 0.415 nan 8.280 nan 0.000 0.478 1524 K N 2.278 122.824 120.400 0.244 0.000 2.419 1524 K HA 0.354 4.674 4.320 0.000 0.000 0.244 1524 K C -0.840 175.783 176.600 0.038 0.000 1.045 1524 K CA -0.286 56.032 56.287 0.052 0.000 1.004 1524 K CB 0.189 32.546 32.500 -0.239 0.000 1.376 1524 K HN 0.898 nan 8.250 nan 0.000 0.460 1525 T N 0.373 114.976 114.554 0.081 0.000 2.936 1525 T HA 0.425 4.775 4.350 0.000 0.000 0.282 1525 T C -0.201 174.521 174.700 0.037 0.000 1.003 1525 T CA -0.969 61.158 62.100 0.045 0.000 1.005 1525 T CB 1.612 70.482 68.868 0.002 0.000 1.097 1525 T HN 0.521 nan 8.240 nan 0.000 0.532 1526 R N 0.987 121.479 120.500 -0.013 0.000 2.451 1526 R HA 0.417 4.757 4.340 0.000 0.000 0.307 1526 R C -1.144 175.138 176.300 -0.031 0.000 0.965 1526 R CA -0.974 55.059 56.100 -0.111 0.000 0.865 1526 R CB 1.090 31.233 30.300 -0.263 0.000 1.174 1526 R HN 0.624 nan 8.270 nan 0.000 0.455 1527 L N 6.415 127.670 121.223 0.052 0.000 2.678 1527 L HA 0.017 4.357 4.340 0.000 0.000 0.276 1527 L C 0.239 177.128 176.870 0.031 0.000 1.142 1527 L CA 0.688 55.575 54.840 0.079 0.000 0.961 1527 L CB 0.788 42.952 42.059 0.174 0.000 1.291 1527 L HN 0.601 nan 8.230 nan 0.000 0.476 1528 V N 4.004 123.934 119.914 0.027 0.000 2.283 1528 V HA 0.062 4.182 4.120 0.000 0.000 0.239 1528 V C 1.000 177.104 176.094 0.016 0.000 1.035 1528 V CA 0.988 63.296 62.300 0.013 0.000 1.018 1528 V CB -0.419 31.414 31.823 0.017 0.000 0.658 1528 V HN 0.792 nan 8.190 nan 0.000 0.459 1529 K N -0.206 120.207 120.400 0.023 0.000 2.426 1529 K HA 0.597 4.917 4.320 0.000 0.000 0.251 1529 K C -1.872 174.714 176.600 -0.024 0.000 0.941 1529 K CA -0.484 55.804 56.287 0.002 0.000 0.808 1529 K CB 2.541 35.042 32.500 0.003 0.000 1.265 1529 K HN 0.016 nan 8.250 nan 0.000 0.432 1530 V N 4.316 124.188 119.914 -0.070 0.000 2.326 1530 V HA 0.277 4.397 4.120 0.000 0.000 0.281 1530 V C -0.851 175.136 176.094 -0.178 0.000 1.015 1530 V CA -0.704 61.488 62.300 -0.181 0.000 0.823 1530 V CB 1.190 32.899 31.823 -0.190 0.000 1.009 1530 V HN 0.747 nan 8.190 nan 0.000 0.436 1531 Q N 4.582 124.268 119.800 -0.190 0.000 2.307 1531 Q HA 0.605 4.945 4.340 0.000 0.000 0.262 1531 Q C -1.350 174.536 176.000 -0.189 0.000 0.961 1531 Q CA -0.821 54.895 55.803 -0.146 0.000 0.882 1531 Q CB 2.490 31.178 28.738 -0.083 0.000 1.264 1531 Q HN 0.547 nan 8.270 nan 0.000 0.446 1532 L N 2.508 123.632 121.223 -0.166 0.000 2.371 1532 L HA 0.245 4.585 4.340 0.000 0.000 0.262 1532 L C -0.285 176.481 176.870 -0.174 0.000 1.054 1532 L CA -0.117 54.623 54.840 -0.166 0.000 0.924 1532 L CB 0.926 42.908 42.059 -0.128 0.000 1.295 1532 L HN 0.484 nan 8.230 nan 0.000 0.441 1533 S N 1.193 116.737 115.700 -0.259 0.000 2.488 1533 S HA 0.561 5.031 4.470 0.000 0.000 0.310 1533 S C 0.626 175.023 174.600 -0.338 0.000 1.093 1533 S CA -0.756 57.268 58.200 -0.294 0.000 1.129 1533 S CB 0.687 63.675 63.200 -0.353 0.000 0.989 1533 S HN 0.578 nan 8.310 nan 0.000 0.479 1534 N N 3.024 121.607 118.700 -0.195 0.000 1.414 1534 N HA -0.311 4.429 4.740 0.000 0.000 0.142 1534 N C 0.751 176.180 175.510 -0.136 0.000 0.587 1534 N CA 2.438 55.405 53.050 -0.139 0.000 1.068 1534 N CB -1.578 36.842 38.487 -0.111 0.000 1.317 1534 N HN 0.771 nan 8.380 nan 0.000 0.463 1535 D N 2.100 122.431 120.400 -0.115 0.000 2.096 1535 D HA -0.115 4.525 4.640 0.000 0.000 0.200 1535 D C 1.056 177.356 176.300 0.000 0.000 0.980 1535 D CA 1.622 55.617 54.000 -0.009 0.000 0.860 1535 D CB -1.177 39.700 40.800 0.127 0.000 1.005 1535 D HN 0.602 nan 8.370 nan 0.000 0.449 1536 F N 0.627 120.578 119.950 0.001 0.000 2.410 1536 F HA 0.496 5.023 4.527 0.000 0.000 0.348 1536 F C -0.322 175.480 175.800 0.003 0.000 1.106 1536 F CA -1.497 56.495 58.000 -0.012 0.000 1.163 1536 F CB 0.419 39.411 39.000 -0.013 0.000 1.129 1536 F HN -0.294 nan 8.300 nan 0.000 0.516 1537 D N 2.860 123.325 120.400 0.109 0.000 2.302 1537 D HA 0.241 4.881 4.640 0.000 0.000 0.248 1537 D C -0.516 175.880 176.300 0.160 0.000 1.094 1537 D CA -0.206 53.818 54.000 0.040 0.000 0.897 1537 D CB 1.147 41.996 40.800 0.083 0.000 1.200 1537 D HN 0.672 nan 8.370 nan 0.000 0.429 1538 E N 0.868 121.064 120.200 -0.006 0.000 2.199 1538 E HA 0.343 4.693 4.350 0.000 0.000 0.269 1538 E C -0.921 175.610 176.600 -0.116 0.000 0.899 1538 E CA -0.772 55.686 56.400 0.097 0.000 0.772 1538 E CB 1.608 31.374 29.700 0.111 0.000 1.155 1538 E HN 0.332 nan 8.360 nan 0.000 0.408 1539 Y N 1.954 122.349 120.300 0.159 0.000 2.526 1539 Y HA 0.320 4.870 4.550 0.000 0.000 0.328 1539 Y C -0.158 175.840 175.900 0.164 0.000 0.995 1539 Y CA -0.627 57.541 58.100 0.112 0.000 1.304 1539 Y CB 0.677 39.172 38.460 0.059 0.000 1.096 1539 Y HN 0.405 nan 8.280 nan 0.000 0.499 1540 I N 5.310 125.998 120.570 0.197 0.000 2.406 1540 I HA 0.097 4.267 4.170 0.000 0.000 0.293 1540 I C -0.293 175.912 176.117 0.147 0.000 1.101 1540 I CA 0.326 61.731 61.300 0.177 0.000 1.334 1540 I CB 0.035 38.096 38.000 0.101 0.000 1.421 1540 I HN 0.426 nan 8.210 nan 0.000 0.513 1541 M N 5.272 124.984 119.600 0.187 0.000 2.537 1541 M HA 0.575 5.056 4.480 0.000 0.000 0.324 1541 M C -0.137 176.210 176.300 0.078 0.000 1.187 1541 M CA -0.684 54.669 55.300 0.087 0.000 0.993 1541 M CB 1.771 34.352 32.600 -0.033 0.000 1.666 1541 M HN 0.511 nan 8.290 nan 0.000 0.461 1542 A N 3.382 126.219 122.820 0.028 0.000 2.291 1542 A HA 0.667 4.987 4.320 0.000 0.000 0.311 1542 A C -0.217 177.365 177.584 -0.003 0.000 1.224 1542 A CA -0.654 51.389 52.037 0.011 0.000 0.821 1542 A CB 0.165 19.166 19.000 0.002 0.000 1.172 1542 A HN 0.865 nan 8.150 nan 0.000 0.494 1543 I N 3.440 123.991 120.570 -0.031 0.000 2.574 1543 I HA -0.014 4.156 4.170 0.000 0.000 0.291 1543 I C 0.976 177.088 176.117 -0.009 0.000 1.131 1543 I CA -0.084 61.190 61.300 -0.043 0.000 1.352 1543 I CB 0.354 38.257 38.000 -0.163 0.000 1.431 1543 I HN 0.745 nan 8.210 nan 0.000 0.543 1544 E N 5.736 125.939 120.200 0.004 0.000 2.150 1544 E HA -0.143 4.207 4.350 0.000 0.000 0.193 1544 E C 0.341 176.932 176.600 -0.015 0.000 0.985 1544 E CA 0.952 57.344 56.400 -0.012 0.000 0.814 1544 E CB 0.080 29.752 29.700 -0.047 0.000 0.752 1544 E HN 0.802 nan 8.360 nan 0.000 0.466 1545 Q N -1.012 118.797 119.800 0.015 0.000 2.545 1545 Q HA 0.269 4.609 4.340 0.000 0.000 0.273 1545 Q C -1.096 174.997 176.000 0.156 0.000 0.975 1545 Q CA -0.603 55.229 55.803 0.049 0.000 0.876 1545 Q CB 0.863 29.603 28.738 0.003 0.000 1.472 1545 Q HN -0.087 nan 8.270 nan 0.000 0.389 1546 T N 0.309 114.976 114.554 0.187 0.000 3.005 1546 T HA 0.395 4.745 4.350 0.000 0.000 0.323 1546 T C 1.008 175.814 174.700 0.177 0.000 1.131 1546 T CA -0.578 61.714 62.100 0.320 0.000 0.977 1546 T CB -0.285 68.783 68.868 0.332 0.000 1.055 1546 T HN 0.639 nan 8.240 nan 0.000 0.562 1547 I N 1.062 121.720 120.570 0.146 0.000 2.179 1547 I HA -0.038 4.133 4.170 0.000 0.000 0.242 1547 I C 1.485 177.606 176.117 0.006 0.000 1.088 1547 I CA 1.202 62.538 61.300 0.061 0.000 1.357 1547 I CB 0.011 38.063 38.000 0.088 0.000 1.051 1547 I HN 0.511 nan 8.210 nan 0.000 0.409 1548 K N 1.143 121.535 120.400 -0.014 0.000 2.535 1548 K HA 0.276 4.596 4.320 0.000 0.000 0.253 1548 K C -0.797 175.813 176.600 0.017 0.000 0.953 1548 K CA -0.343 55.926 56.287 -0.031 0.000 0.863 1548 K CB 1.394 33.843 32.500 -0.085 0.000 1.111 1548 K HN -0.133 nan 8.250 nan 0.000 0.431 1549 S N 2.697 118.449 115.700 0.086 0.000 2.465 1549 S HA 0.098 4.568 4.470 0.000 0.000 0.307 1549 S C 0.615 175.315 174.600 0.165 0.000 1.187 1549 S CA -0.291 58.008 58.200 0.166 0.000 1.141 1549 S CB 0.639 63.919 63.200 0.133 0.000 1.108 1549 S HN 0.769 nan 8.310 nan 0.000 0.525 1550 G N 2.258 111.212 108.800 0.256 0.000 2.485 1550 G HA2 0.187 4.147 3.960 0.000 0.000 0.260 1550 G HA3 0.187 4.147 3.960 0.000 0.000 0.260 1550 G C 1.087 176.134 174.900 0.246 0.000 1.459 1550 G CA -0.051 45.226 45.100 0.295 0.000 1.060 1550 G HN 0.696 nan 8.290 nan 0.000 0.546 1551 S N -1.384 114.457 115.700 0.235 0.000 2.561 1551 S HA 0.011 4.481 4.470 0.000 0.000 0.225 1551 S C 0.475 175.093 174.600 0.030 0.000 0.977 1551 S CA 0.707 58.946 58.200 0.065 0.000 0.926 1551 S CB 0.100 63.258 63.200 -0.070 0.000 0.769 1551 S HN 0.439 nan 8.310 nan 0.000 0.533 1552 D N 2.652 123.166 120.400 0.190 0.000 2.396 1552 D HA 0.162 4.802 4.640 0.000 0.000 0.225 1552 D C -0.527 175.885 176.300 0.186 0.000 1.121 1552 D CA -0.330 53.777 54.000 0.180 0.000 0.853 1552 D CB 0.641 41.668 40.800 0.379 0.000 1.043 1552 D HN 0.045 nan 8.370 nan 0.000 0.500 1553 E N 2.848 123.104 120.200 0.095 0.000 1.833 1553 E HA 0.087 4.437 4.350 0.000 0.000 0.258 1553 E C -0.496 176.150 176.600 0.077 0.000 1.257 1553 E CA -0.031 56.418 56.400 0.083 0.000 1.003 1553 E CB 0.654 30.379 29.700 0.042 0.000 1.068 1553 E HN 0.172 nan 8.360 nan 0.000 0.422 1554 V N 3.426 123.398 119.914 0.098 0.000 2.531 1554 V HA 0.208 4.328 4.120 0.000 0.000 0.301 1554 V C -0.827 175.289 176.094 0.036 0.000 1.034 1554 V CA -0.772 61.555 62.300 0.046 0.000 0.865 1554 V CB 1.940 33.762 31.823 -0.001 0.000 0.995 1554 V HN 0.373 nan 8.190 nan 0.000 0.424 1555 Q N 3.788 123.601 119.800 0.021 0.000 2.260 1555 Q HA 0.540 4.880 4.340 0.000 0.000 0.242 1555 Q C -0.319 175.683 176.000 0.004 0.000 0.932 1555 Q CA -0.305 55.511 55.803 0.022 0.000 0.891 1555 Q CB 1.776 30.526 28.738 0.020 0.000 1.222 1555 Q HN 0.681 nan 8.270 nan 0.000 0.453 1556 V N 2.046 121.968 119.914 0.012 0.000 2.617 1556 V HA 0.239 4.359 4.120 0.000 0.000 0.304 1556 V C 1.386 177.479 176.094 -0.001 0.000 1.040 1556 V CA 1.975 64.277 62.300 0.003 0.000 1.149 1556 V CB 0.026 31.857 31.823 0.013 0.000 0.914 1556 V HN 1.035 nan 8.190 nan 0.000 0.487 1557 G N 3.271 112.066 108.800 -0.007 0.000 2.307 1557 G HA2 -0.162 3.798 3.960 0.000 0.000 0.210 1557 G HA3 -0.162 3.798 3.960 0.000 0.000 0.210 1557 G C 0.160 175.059 174.900 -0.002 0.000 1.005 1557 G CA -0.028 45.071 45.100 -0.002 0.000 0.634 1557 G HN 0.625 nan 8.290 nan 0.000 0.496 1558 Q N 0.510 120.305 119.800 -0.009 0.000 2.368 1558 Q HA 0.567 4.907 4.340 0.000 0.000 0.237 1558 Q C -0.057 175.941 176.000 -0.003 0.000 0.987 1558 Q CA 0.185 55.986 55.803 -0.004 0.000 0.896 1558 Q CB 0.575 29.309 28.738 -0.006 0.000 1.241 1558 Q HN 0.523 nan 8.270 nan 0.000 0.485 1559 Q N 1.182 120.993 119.800 0.018 0.000 2.316 1559 Q HA 0.448 4.788 4.340 0.000 0.000 0.264 1559 Q C -0.803 175.238 176.000 0.067 0.000 0.987 1559 Q CA -0.781 55.048 55.803 0.043 0.000 0.852 1559 Q CB 1.692 30.461 28.738 0.052 0.000 1.287 1559 Q HN 0.179 nan 8.270 nan 0.000 0.448 1560 R N 1.089 121.654 120.500 0.109 0.000 2.589 1560 R HA 0.483 4.823 4.340 0.000 0.000 0.293 1560 R C -0.735 175.698 176.300 0.222 0.000 0.963 1560 R CA -0.590 55.594 56.100 0.139 0.000 0.905 1560 R CB 1.896 32.257 30.300 0.102 0.000 1.144 1560 R HN 0.526 nan 8.270 nan 0.000 0.459 1561 T N 3.749 118.396 114.554 0.154 0.000 2.733 1561 T HA 0.428 4.778 4.350 0.000 0.000 0.294 1561 T C -0.213 174.591 174.700 0.174 0.000 0.956 1561 T CA -0.192 62.039 62.100 0.217 0.000 0.987 1561 T CB 0.070 69.041 68.868 0.171 0.000 0.920 1561 T HN 0.153 nan 8.240 nan 0.000 0.470 1562 F N 2.564 122.637 119.950 0.205 0.000 2.399 1562 F HA 0.640 5.167 4.527 0.000 0.000 0.328 1562 F C 0.551 176.502 175.800 0.252 0.000 1.084 1562 F CA -1.336 56.783 58.000 0.199 0.000 1.053 1562 F CB 0.903 39.974 39.000 0.119 0.000 1.209 1562 F HN 0.324 nan 8.300 nan 0.000 0.502 1563 I N 1.264 122.033 120.570 0.332 0.000 2.533 1563 I HA 0.421 4.591 4.170 0.000 0.000 0.290 1563 I C -0.745 175.481 176.117 0.182 0.000 1.056 1563 I CA -0.486 60.975 61.300 0.268 0.000 1.057 1563 I CB 2.160 40.221 38.000 0.102 0.000 1.240 1563 I HN 0.464 nan 8.210 nan 0.000 0.423 1564 S N 6.255 122.087 115.700 0.221 0.000 2.536 1564 S HA 0.634 5.104 4.470 0.000 0.000 0.271 1564 S C -2.772 171.900 174.600 0.121 0.000 1.134 1564 S CA -1.202 57.068 58.200 0.116 0.000 0.897 1564 S CB 2.060 65.270 63.200 0.015 0.000 1.094 1564 S HN 0.210 nan 8.310 nan 0.000 0.473 1565 P HA 0.195 nan 4.420 nan 0.000 0.270 1565 P C 0.567 177.899 177.300 0.053 0.000 1.227 1565 P CA -0.221 62.898 63.100 0.032 0.000 0.788 1565 P CB 0.299 31.999 31.700 -0.001 0.000 0.926 1566 I N 1.010 121.599 120.570 0.033 0.000 2.439 1566 I HA -0.219 3.951 4.170 0.000 0.000 0.251 1566 I C 2.198 178.331 176.117 0.027 0.000 1.139 1566 I CA 1.481 62.801 61.300 0.034 0.000 1.438 1566 I CB -0.985 37.023 38.000 0.013 0.000 1.085 1566 I HN 0.428 nan 8.210 nan 0.000 0.427 1567 K N 0.188 120.594 120.400 0.010 0.000 2.211 1567 K HA -0.134 4.186 4.320 0.000 0.000 0.204 1567 K C 1.681 178.282 176.600 0.002 0.000 1.047 1567 K CA 1.732 58.019 56.287 -0.000 0.000 0.935 1567 K CB -0.808 31.682 32.500 -0.016 0.000 0.728 1567 K HN 0.339 nan 8.250 nan 0.000 0.452 1568 c N 0.853 119.462 118.600 0.015 0.000 2.696 1568 c HA 0.255 4.825 4.570 0.000 0.000 0.264 1568 c C 2.401 176.529 174.090 0.062 0.000 1.288 1568 c CA -0.536 55.810 56.329 0.028 0.000 1.717 1568 c CB -0.980 41.550 42.510 0.034 0.000 1.893 1568 c HN 0.531 nan 8.230 nan 0.000 0.577 1569 R N 1.853 122.396 120.500 0.072 0.000 2.120 1569 R HA -0.171 4.169 4.340 0.000 0.000 0.234 1569 R C 2.079 178.421 176.300 0.069 0.000 1.123 1569 R CA 1.558 57.719 56.100 0.101 0.000 0.975 1569 R CB -0.194 30.167 30.300 0.102 0.000 0.866 1569 R HN 0.664 nan 8.270 nan 0.000 0.446 1570 E N -0.612 119.616 120.200 0.046 0.000 2.158 1570 E HA -0.099 4.251 4.350 0.000 0.000 0.191 1570 E C 1.527 178.150 176.600 0.039 0.000 0.982 1570 E CA 0.853 57.273 56.400 0.033 0.000 0.823 1570 E CB 0.051 29.763 29.700 0.019 0.000 0.766 1570 E HN 0.461 nan 8.360 nan 0.000 0.468 1571 A N 0.575 123.431 122.820 0.059 0.000 2.021 1571 A HA 0.032 4.352 4.320 0.000 0.000 0.216 1571 A C 2.034 179.698 177.584 0.132 0.000 1.163 1571 A CA 0.343 52.444 52.037 0.106 0.000 0.676 1571 A CB -0.225 18.843 19.000 0.113 0.000 0.818 1571 A HN 0.248 nan 8.150 nan 0.000 0.453 1572 L N -0.820 120.448 121.223 0.076 0.000 2.131 1572 L HA -0.103 4.237 4.340 0.000 0.000 0.206 1572 L C 1.049 177.873 176.870 -0.077 0.000 1.087 1572 L CA 1.076 55.870 54.840 -0.077 0.000 0.767 1572 L CB -0.407 41.559 42.059 -0.155 0.000 0.917 1572 L HN 0.538 nan 8.230 nan 0.000 0.441 1573 K N 0.509 120.907 120.400 -0.002 0.000 3.264 1573 K HA -0.220 4.100 4.320 0.000 0.000 0.267 1573 K C -0.606 176.014 176.600 0.034 0.000 0.886 1573 K CA 0.978 57.278 56.287 0.021 0.000 0.665 1573 K CB -2.804 29.706 32.500 0.016 0.000 1.447 1573 K HN 0.276 nan 8.250 nan 0.000 0.464 1574 L N 1.094 122.326 121.223 0.015 0.000 2.360 1574 L HA 0.182 4.522 4.340 0.000 0.000 0.276 1574 L C 0.681 177.636 176.870 0.143 0.000 1.121 1574 L CA 0.053 54.908 54.840 0.026 0.000 0.845 1574 L CB 0.473 42.439 42.059 -0.156 0.000 1.143 1574 L HN 0.318 nan 8.230 nan 0.000 0.452 1575 E N 2.953 123.295 120.200 0.237 0.000 2.191 1575 E HA 0.295 4.645 4.350 0.000 0.000 0.274 1575 E C -0.704 176.000 176.600 0.173 0.000 0.948 1575 E CA -0.778 55.721 56.400 0.165 0.000 0.802 1575 E CB 1.767 31.545 29.700 0.130 0.000 1.137 1575 E HN 0.511 nan 8.360 nan 0.000 0.397 1576 E N 1.540 121.799 120.200 0.098 0.000 2.425 1576 E HA -0.026 4.324 4.350 0.000 0.000 0.258 1576 E C -0.277 176.343 176.600 0.033 0.000 1.151 1576 E CA 0.091 56.530 56.400 0.066 0.000 0.958 1576 E CB 0.354 30.073 29.700 0.032 0.000 0.968 1576 E HN 0.405 nan 8.360 nan 0.000 0.451 1577 K N -0.058 120.333 120.400 -0.014 0.000 3.088 1577 K HA -0.239 4.081 4.320 0.000 0.000 0.273 1577 K C -0.680 175.839 176.600 -0.135 0.000 1.111 1577 K CA 0.922 57.165 56.287 -0.074 0.000 0.803 1577 K CB -1.082 31.399 32.500 -0.032 0.000 1.226 1577 K HN 0.367 nan 8.250 nan 0.000 0.485 1578 K N 0.449 120.762 120.400 -0.144 0.000 2.328 1578 K HA 0.372 4.692 4.320 0.000 0.000 0.246 1578 K C -0.336 175.963 176.600 -0.501 0.000 0.955 1578 K CA -0.908 55.221 56.287 -0.263 0.000 0.817 1578 K CB 1.442 33.852 32.500 -0.149 0.000 1.208 1578 K HN 0.084 nan 8.250 nan 0.000 0.432 1579 H N 1.344 120.141 119.070 -0.454 0.000 2.481 1579 H HA 0.288 4.844 4.556 0.000 0.000 0.339 1579 H C -0.887 174.058 175.328 -0.639 0.000 1.131 1579 H CA -0.008 55.802 56.048 -0.396 0.000 1.301 1579 H CB 0.888 30.463 29.762 -0.312 0.000 1.476 1579 H HN 0.450 nan 8.280 nan 0.000 0.529 1580 Y N 0.674 121.007 120.300 0.055 0.000 2.504 1580 Y HA 0.156 4.706 4.550 0.000 0.000 0.344 1580 Y C -0.564 175.418 175.900 0.137 0.000 1.023 1580 Y CA -0.947 57.193 58.100 0.066 0.000 1.020 1580 Y CB 1.780 40.206 38.460 -0.057 0.000 1.282 1580 Y HN 0.370 nan 8.280 nan 0.000 0.454 1581 L N 6.060 127.538 121.223 0.425 0.000 2.255 1581 L HA 0.672 5.012 4.340 0.000 0.000 0.289 1581 L C -0.743 176.317 176.870 0.315 0.000 1.046 1581 L CA -0.621 54.479 54.840 0.434 0.000 0.816 1581 L CB 0.172 42.603 42.059 0.620 0.000 1.197 1581 L HN 0.660 nan 8.230 nan 0.000 0.427 1582 M N 4.200 123.957 119.600 0.262 0.000 2.386 1582 M HA 0.723 5.203 4.480 0.000 0.000 0.293 1582 M C -1.855 174.593 176.300 0.246 0.000 1.120 1582 M CA -0.636 54.749 55.300 0.140 0.000 0.909 1582 M CB 1.947 34.552 32.600 0.008 0.000 1.661 1582 M HN 0.633 nan 8.290 nan 0.000 0.452 1583 W N 1.343 122.700 121.300 0.095 0.000 3.022 1583 W HA 0.944 5.604 4.660 0.000 0.000 0.335 1583 W C -1.219 175.092 176.519 -0.347 0.000 1.133 1583 W CA -0.723 56.471 57.345 -0.251 0.000 1.219 1583 W CB 0.824 30.151 29.460 -0.222 0.000 1.409 1583 W HN 0.975 nan 8.180 nan 0.000 0.507 1584 G N 1.895 110.226 108.800 -0.782 0.000 3.105 1584 G HA2 0.742 4.702 3.960 0.000 0.000 0.277 1584 G HA3 0.742 4.702 3.960 0.000 0.000 0.277 1584 G C -1.481 173.323 174.900 -0.161 0.000 1.375 1584 G CA -1.357 43.569 45.100 -0.289 0.000 0.962 1584 G HN 0.709 nan 8.290 nan 0.000 0.541 1585 L N 0.241 121.549 121.223 0.143 0.000 2.439 1585 L HA 0.275 4.615 4.340 0.000 0.000 0.259 1585 L C 1.922 179.007 176.870 0.358 0.000 1.129 1585 L CA -0.383 54.581 54.840 0.207 0.000 0.803 1585 L CB 1.731 43.901 42.059 0.185 0.000 1.161 1585 L HN 0.693 nan 8.230 nan 0.000 0.462 1586 S N -1.829 114.097 115.700 0.378 0.000 2.561 1586 S HA -0.081 4.389 4.470 0.000 0.000 0.225 1586 S C 1.189 176.102 174.600 0.521 0.000 0.977 1586 S CA 0.459 58.999 58.200 0.566 0.000 0.926 1586 S CB -0.282 63.131 63.200 0.355 0.000 0.769 1586 S HN 0.722 nan 8.310 nan 0.000 0.533 1587 S N 0.163 116.066 115.700 0.338 0.000 2.614 1587 S HA 0.285 4.755 4.470 0.000 0.000 0.230 1587 S C -0.102 174.649 174.600 0.251 0.000 0.952 1587 S CA -0.492 57.870 58.200 0.270 0.000 0.949 1587 S CB -0.008 63.303 63.200 0.185 0.000 0.786 1587 S HN 0.277 nan 8.310 nan 0.000 0.478 1588 D N 0.835 121.379 120.400 0.240 0.000 2.462 1588 D HA 0.353 4.993 4.640 0.000 0.000 0.221 1588 D C -0.606 175.671 176.300 -0.038 0.000 1.173 1588 D CA -0.297 53.774 54.000 0.118 0.000 0.831 1588 D CB -0.017 40.871 40.800 0.147 0.000 1.001 1588 D HN 0.354 nan 8.370 nan 0.000 0.499 1589 F N 0.267 120.254 119.950 0.062 0.000 2.371 1589 F HA 0.372 4.899 4.527 0.000 0.000 0.329 1589 F C 0.456 176.324 175.800 0.114 0.000 1.107 1589 F CA -0.556 57.407 58.000 -0.062 0.000 1.137 1589 F CB 1.182 40.097 39.000 -0.142 0.000 1.214 1589 F HN -0.095 nan 8.300 nan 0.000 0.536 1590 W N 2.860 124.145 121.300 -0.025 0.000 2.835 1590 W HA 0.469 5.129 4.660 0.000 0.000 0.326 1590 W C -0.577 175.882 176.519 -0.100 0.000 1.024 1590 W CA -0.504 56.800 57.345 -0.069 0.000 1.267 1590 W CB 1.488 30.884 29.460 -0.107 0.000 1.267 1590 W HN 0.817 nan 8.180 nan 0.000 0.412 1591 G N 3.297 111.824 108.800 -0.455 0.000 2.440 1591 G HA2 -0.118 3.842 3.960 0.000 0.000 0.684 1591 G HA3 -0.118 3.842 3.960 0.000 0.000 0.684 1591 G C -1.373 173.381 174.900 -0.243 0.000 1.309 1591 G CA -1.083 43.785 45.100 -0.388 0.000 0.931 1591 G HN 0.249 nan 8.290 nan 0.000 0.612 1592 E N 0.770 120.847 120.200 -0.204 0.000 2.249 1592 E HA 0.332 4.682 4.350 0.000 0.000 0.280 1592 E C 0.550 177.080 176.600 -0.117 0.000 1.016 1592 E CA -0.471 55.836 56.400 -0.154 0.000 0.830 1592 E CB 1.396 31.013 29.700 -0.137 0.000 1.081 1592 E HN 0.524 nan 8.360 nan 0.000 0.395 1593 K N 2.452 122.786 120.400 -0.109 0.000 2.380 1593 K HA 0.061 4.381 4.320 0.000 0.000 0.267 1593 K C -1.553 175.007 176.600 -0.065 0.000 0.990 1593 K CA -1.033 55.202 56.287 -0.086 0.000 0.946 1593 K CB 0.062 32.506 32.500 -0.092 0.000 0.937 1593 K HN 0.178 nan 8.250 nan 0.000 0.491 1594 P HA 0.048 nan 4.420 nan 0.000 0.253 1594 P C -0.826 176.453 177.300 -0.035 0.000 1.260 1594 P CA 0.323 63.400 63.100 -0.039 0.000 0.800 1594 P CB 0.199 31.885 31.700 -0.023 0.000 1.162 1595 N N 0.676 119.348 118.700 -0.046 0.000 3.303 1595 N HA 0.120 4.860 4.740 0.000 0.000 0.304 1595 N C -0.112 175.363 175.510 -0.058 0.000 1.302 1595 N CA 0.134 53.159 53.050 -0.042 0.000 1.213 1595 N CB -0.398 38.063 38.487 -0.045 0.000 1.481 1595 N HN 0.235 nan 8.380 nan 0.000 0.546 1596 L N -0.012 121.179 121.223 -0.054 0.000 2.418 1596 L HA 0.360 4.700 4.340 0.000 0.000 0.265 1596 L C 0.328 177.146 176.870 -0.086 0.000 1.143 1596 L CA -0.134 54.663 54.840 -0.073 0.000 0.809 1596 L CB 0.824 42.839 42.059 -0.073 0.000 1.124 1596 L HN 0.074 nan 8.230 nan 0.000 0.456 1597 S N 0.683 116.318 115.700 -0.107 0.000 2.776 1597 S HA 0.404 4.874 4.470 0.000 0.000 0.284 1597 S C -0.936 173.528 174.600 -0.228 0.000 1.160 1597 S CA -0.653 57.487 58.200 -0.098 0.000 1.051 1597 S CB 0.701 63.923 63.200 0.037 0.000 1.037 1597 S HN 0.223 nan 8.310 nan 0.000 0.485 1598 Y N 2.437 122.424 120.300 -0.522 0.000 2.480 1598 Y HA 0.239 4.789 4.550 0.000 0.000 0.338 1598 Y C 0.682 176.378 175.900 -0.340 0.000 1.220 1598 Y CA -0.204 57.470 58.100 -0.710 0.000 1.430 1598 Y CB 0.373 37.946 38.460 -1.479 0.000 1.311 1598 Y HN 0.405 nan 8.280 nan 0.000 0.575 1599 I N 4.497 125.057 120.570 -0.017 0.000 2.406 1599 I HA 0.217 4.387 4.170 0.000 0.000 0.290 1599 I C -0.154 176.058 176.117 0.159 0.000 0.999 1599 I CA -0.979 60.353 61.300 0.055 0.000 1.124 1599 I CB 1.448 39.441 38.000 -0.013 0.000 1.289 1599 I HN 0.546 nan 8.210 nan 0.000 0.441 1600 I N 6.010 126.675 120.570 0.158 0.000 2.227 1600 I HA 0.183 4.353 4.170 0.000 0.000 0.297 1600 I C 1.166 177.335 176.117 0.086 0.000 1.173 1600 I CA -0.017 61.363 61.300 0.132 0.000 1.356 1600 I CB -0.075 37.947 38.000 0.035 0.000 1.485 1600 I HN 0.644 nan 8.210 nan 0.000 0.604 1601 G N 4.032 112.890 108.800 0.097 0.000 2.525 1601 G HA2 0.178 4.138 3.960 0.000 0.000 0.287 1601 G HA3 0.178 4.138 3.960 0.000 0.000 0.287 1601 G C 0.897 175.840 174.900 0.070 0.000 1.350 1601 G CA -0.600 44.540 45.100 0.068 0.000 1.039 1601 G HN 0.718 nan 8.290 nan 0.000 0.513 1602 K N -1.332 119.092 120.400 0.040 0.000 2.515 1602 K HA 0.033 4.354 4.320 0.000 0.000 0.196 1602 K C -0.189 176.445 176.600 0.056 0.000 1.038 1602 K CA 1.172 57.469 56.287 0.017 0.000 0.967 1602 K CB 0.274 32.766 32.500 -0.013 0.000 0.780 1602 K HN 0.171 nan 8.250 nan 0.000 0.483 1603 D N 1.138 121.590 120.400 0.088 0.000 2.593 1603 D HA 0.080 4.720 4.640 0.000 0.000 0.241 1603 D C -0.830 175.551 176.300 0.136 0.000 1.257 1603 D CA 0.004 54.075 54.000 0.119 0.000 0.828 1603 D CB 1.169 42.041 40.800 0.119 0.000 1.049 1603 D HN 0.018 nan 8.370 nan 0.000 0.490 1604 T N 0.871 115.492 114.554 0.111 0.000 2.772 1604 T HA 0.102 4.452 4.350 0.000 0.000 0.288 1604 T C -0.347 174.319 174.700 -0.056 0.000 0.994 1604 T CA -0.694 61.445 62.100 0.065 0.000 0.951 1604 T CB 1.423 70.359 68.868 0.113 0.000 0.933 1604 T HN 0.120 nan 8.240 nan 0.000 0.447 1605 W N 4.992 125.988 121.300 -0.505 0.000 2.238 1605 W HA 0.489 5.149 4.660 0.000 0.000 0.321 1605 W C -1.534 174.592 176.519 -0.655 0.000 1.293 1605 W CA -0.394 56.472 57.345 -0.798 0.000 1.204 1605 W CB 0.501 28.798 29.460 -1.938 0.000 1.167 1605 W HN 0.284 nan 8.180 nan 0.000 0.553 1606 V N 5.930 125.271 119.914 -0.955 0.000 2.612 1606 V HA 0.244 4.364 4.120 0.000 0.000 0.301 1606 V C -0.674 174.996 176.094 -0.708 0.000 1.059 1606 V CA -0.813 61.068 62.300 -0.698 0.000 0.886 1606 V CB 1.755 33.105 31.823 -0.789 0.000 1.007 1606 V HN 0.547 nan 8.190 nan 0.000 0.426 1607 E N 2.557 122.621 120.200 -0.225 0.000 2.292 1607 E HA 0.440 4.790 4.350 0.000 0.000 0.272 1607 E C -1.274 175.471 176.600 0.242 0.000 0.881 1607 E CA -0.861 55.519 56.400 -0.033 0.000 0.754 1607 E CB 1.880 31.673 29.700 0.155 0.000 1.201 1607 E HN 0.874 nan 8.360 nan 0.000 0.425 1608 H N 4.010 123.160 119.070 0.132 0.000 2.848 1608 H HA 0.068 4.624 4.556 0.000 0.000 0.317 1608 H C -1.191 174.167 175.328 0.051 0.000 1.046 1608 H CA -0.023 56.077 56.048 0.086 0.000 1.470 1608 H CB 0.550 30.331 29.762 0.032 0.000 1.483 1608 H HN 0.354 nan 8.280 nan 0.000 0.548 1609 W N 9.239 130.149 121.300 -0.651 0.000 2.288 1609 W HA 0.280 4.940 4.660 0.000 0.000 0.325 1609 W C -2.781 173.449 176.519 -0.482 0.000 1.019 1609 W CA -3.035 54.081 57.345 -0.381 0.000 1.403 1609 W CB 0.740 30.074 29.460 -0.211 0.000 1.226 1609 W HN 0.633 nan 8.180 nan 0.000 0.391 1610 P HA -0.086 nan 4.420 nan 0.000 0.261 1610 P C 0.140 177.524 177.300 0.139 0.000 1.183 1610 P CA 0.839 63.961 63.100 0.036 0.000 0.761 1610 P CB 0.611 32.311 31.700 0.001 0.000 0.785 1611 E N 1.992 122.271 120.200 0.130 0.000 2.416 1611 E HA -0.101 4.249 4.350 0.000 0.000 0.254 1611 E C 1.241 177.892 176.600 0.084 0.000 1.241 1611 E CA -0.269 56.199 56.400 0.113 0.000 0.969 1611 E CB 0.485 30.258 29.700 0.123 0.000 0.999 1611 E HN 0.346 nan 8.360 nan 0.000 0.481 1612 E N 0.978 121.208 120.200 0.049 0.000 2.013 1612 E HA -0.273 4.077 4.350 0.000 0.000 0.202 1612 E C 1.296 177.921 176.600 0.042 0.000 1.018 1612 E CA 2.523 58.950 56.400 0.044 0.000 0.834 1612 E CB -0.264 29.450 29.700 0.023 0.000 0.770 1612 E HN 0.648 nan 8.360 nan 0.000 0.459 1613 D N -0.175 120.248 120.400 0.039 0.000 2.350 1613 D HA -0.161 4.479 4.640 0.000 0.000 0.216 1613 D C 1.203 177.523 176.300 0.034 0.000 0.968 1613 D CA 0.985 55.005 54.000 0.033 0.000 0.894 1613 D CB -0.415 40.404 40.800 0.031 0.000 0.909 1613 D HN 0.471 nan 8.370 nan 0.000 0.520 1614 E N -0.699 119.528 120.200 0.045 0.000 2.385 1614 E HA 0.049 4.399 4.350 0.000 0.000 0.194 1614 E C 0.761 177.379 176.600 0.031 0.000 1.013 1614 E CA 0.135 56.562 56.400 0.044 0.000 0.866 1614 E CB 0.083 29.825 29.700 0.069 0.000 0.832 1614 E HN 0.258 nan 8.360 nan 0.000 0.500 1615 c N 2.071 120.688 118.600 0.028 0.000 2.379 1615 c HA 0.110 4.680 4.570 0.000 0.000 0.346 1615 c C 1.316 175.410 174.090 0.008 0.000 1.305 1615 c CA -0.036 56.299 56.329 0.009 0.000 1.657 1615 c CB -1.021 41.495 42.510 0.010 0.000 1.739 1615 c HN 0.335 nan 8.230 nan 0.000 0.594 1616 Q N -0.229 119.578 119.800 0.012 0.000 2.214 1616 Q HA 0.147 4.487 4.340 0.000 0.000 0.229 1616 Q C -0.329 175.674 176.000 0.006 0.000 0.835 1616 Q CA 0.326 56.135 55.803 0.009 0.000 0.953 1616 Q CB 0.306 29.052 28.738 0.013 0.000 1.131 1616 Q HN 0.586 nan 8.270 nan 0.000 0.501 1617 D N 2.076 122.480 120.400 0.005 0.000 2.341 1617 D HA -0.015 4.625 4.640 0.000 0.000 0.245 1617 D C 0.914 177.213 176.300 -0.002 0.000 1.106 1617 D CA 0.008 54.010 54.000 0.003 0.000 0.905 1617 D CB 0.745 41.547 40.800 0.004 0.000 1.202 1617 D HN 0.185 nan 8.370 nan 0.000 0.426 1618 E N 0.124 120.323 120.200 -0.002 0.000 2.357 1618 E HA -0.056 4.294 4.350 0.000 0.000 0.194 1618 E C 0.041 176.637 176.600 -0.007 0.000 1.177 1618 E CA 0.618 57.015 56.400 -0.004 0.000 0.998 1618 E CB -0.111 29.587 29.700 -0.003 0.000 1.106 1618 E HN 0.479 nan 8.360 nan 0.000 0.470 1619 E N -0.276 119.919 120.200 -0.009 0.000 2.535 1619 E HA 0.096 4.446 4.350 0.000 0.000 0.216 1619 E C 0.804 177.395 176.600 -0.016 0.000 0.845 1619 E CA -0.071 56.322 56.400 -0.012 0.000 1.306 1619 E CB 0.428 30.121 29.700 -0.011 0.000 1.291 1619 E HN 0.129 nan 8.360 nan 0.000 0.635 1620 N N 0.753 119.443 118.700 -0.016 0.000 2.250 1620 N HA 0.039 4.779 4.740 0.000 0.000 0.190 1620 N C 1.321 176.808 175.510 -0.038 0.000 1.116 1620 N CA 0.258 53.293 53.050 -0.026 0.000 0.881 1620 N CB 0.365 38.843 38.487 -0.015 0.000 1.006 1620 N HN 0.107 nan 8.380 nan 0.000 0.491 1621 Q N 0.498 120.282 119.800 -0.026 0.000 2.135 1621 Q HA -0.131 4.210 4.340 0.000 0.000 0.204 1621 Q C 1.518 177.498 176.000 -0.033 0.000 0.981 1621 Q CA 1.321 57.109 55.803 -0.025 0.000 0.856 1621 Q CB 0.025 28.755 28.738 -0.013 0.000 0.902 1621 Q HN 0.069 nan 8.270 nan 0.000 0.425 1622 K N 0.893 121.274 120.400 -0.031 0.000 2.217 1622 K HA -0.149 4.171 4.320 0.000 0.000 0.202 1622 K C 1.801 178.372 176.600 -0.049 0.000 1.051 1622 K CA 1.195 57.463 56.287 -0.031 0.000 0.952 1622 K CB 0.081 32.568 32.500 -0.022 0.000 0.736 1622 K HN 0.181 nan 8.250 nan 0.000 0.453 1623 Q N -1.038 118.720 119.800 -0.069 0.000 2.134 1623 Q HA -0.057 4.283 4.340 0.000 0.000 0.195 1623 Q C 1.882 177.773 176.000 -0.182 0.000 0.958 1623 Q CA 1.301 57.037 55.803 -0.110 0.000 0.840 1623 Q CB -0.085 28.588 28.738 -0.108 0.000 0.918 1623 Q HN 0.372 nan 8.270 nan 0.000 0.467 1624 c N 1.209 119.702 118.600 -0.178 0.000 2.425 1624 c HA -0.112 4.458 4.570 0.000 0.000 0.277 1624 c C 2.566 176.574 174.090 -0.136 0.000 1.280 1624 c CA 0.815 57.013 56.329 -0.219 0.000 1.744 1624 c CB -0.839 41.594 42.510 -0.129 0.000 1.989 1624 c HN 0.599 nan 8.230 nan 0.000 0.491 1625 Q N 0.589 120.343 119.800 -0.076 0.000 2.124 1625 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 1625 Q C 1.673 177.659 176.000 -0.023 0.000 0.977 1625 Q CA 1.556 57.341 55.803 -0.031 0.000 0.850 1625 Q CB -0.194 28.534 28.738 -0.018 0.000 0.901 1625 Q HN 0.660 nan 8.270 nan 0.000 0.429 1626 D N 0.648 121.019 120.400 -0.049 0.000 2.084 1626 D HA -0.116 4.524 4.640 0.000 0.000 0.196 1626 D C 1.970 178.265 176.300 -0.009 0.000 0.985 1626 D CA 0.930 54.915 54.000 -0.025 0.000 0.826 1626 D CB -0.252 40.520 40.800 -0.047 0.000 0.978 1626 D HN 0.169 nan 8.370 nan 0.000 0.456 1627 L N 0.593 121.728 121.223 -0.146 0.000 2.046 1627 L HA -0.080 4.260 4.340 0.000 0.000 0.208 1627 L C 2.562 179.492 176.870 0.099 0.000 1.077 1627 L CA 1.435 56.157 54.840 -0.198 0.000 0.747 1627 L CB -0.909 40.600 42.059 -0.916 0.000 0.896 1627 L HN 0.101 nan 8.230 nan 0.000 0.432 1628 G N -0.163 108.671 108.800 0.058 0.000 2.459 1628 G HA2 -0.283 3.677 3.960 0.000 0.000 0.217 1628 G HA3 -0.283 3.677 3.960 0.000 0.000 0.217 1628 G C 1.760 176.759 174.900 0.165 0.000 1.183 1628 G CA 0.898 46.096 45.100 0.163 0.000 0.776 1628 G HN 0.471 nan 8.290 nan 0.000 0.552 1629 A N 0.082 122.975 122.820 0.122 0.000 1.972 1629 A HA 0.095 4.415 4.320 0.000 0.000 0.219 1629 A C 2.157 179.822 177.584 0.134 0.000 1.169 1629 A CA 1.555 53.657 52.037 0.107 0.000 0.635 1629 A CB -0.505 18.539 19.000 0.074 0.000 0.810 1629 A HN 0.431 nan 8.150 nan 0.000 0.446 1630 F N 1.349 121.321 119.950 0.036 0.000 2.102 1630 F HA -0.171 4.356 4.527 0.000 0.000 0.298 1630 F C 2.459 178.301 175.800 0.070 0.000 1.105 1630 F CA 2.388 60.407 58.000 0.032 0.000 1.239 1630 F CB -0.699 38.316 39.000 0.026 0.000 0.991 1630 F HN 0.201 nan 8.300 nan 0.000 0.474 1631 T N 0.371 115.057 114.554 0.220 0.000 2.652 1631 T HA -0.219 4.131 4.350 0.000 0.000 0.267 1631 T C 1.739 176.436 174.700 -0.005 0.000 1.039 1631 T CA 1.931 64.103 62.100 0.119 0.000 1.153 1631 T CB -0.414 68.626 68.868 0.285 0.000 0.863 1631 T HN 0.406 nan 8.240 nan 0.000 0.428 1632 E N 0.833 121.062 120.200 0.049 0.000 2.085 1632 E HA -0.118 4.232 4.350 0.000 0.000 0.194 1632 E C 2.469 179.098 176.600 0.050 0.000 0.994 1632 E CA 1.245 57.672 56.400 0.044 0.000 0.801 1632 E CB -0.235 29.511 29.700 0.076 0.000 0.743 1632 E HN 0.337 nan 8.360 nan 0.000 0.453 1633 S N -0.061 115.657 115.700 0.029 0.000 2.399 1633 S HA -0.100 4.370 4.470 0.000 0.000 0.231 1633 S C 1.839 176.426 174.600 -0.021 0.000 1.022 1633 S CA 0.843 59.084 58.200 0.069 0.000 0.983 1633 S CB 0.056 63.220 63.200 -0.060 0.000 0.803 1633 S HN 0.132 nan 8.310 nan 0.000 0.480 1634 M N 0.434 119.902 119.600 -0.220 0.000 2.476 1634 M HA 0.146 4.626 4.480 0.000 0.000 0.262 1634 M C 1.858 178.076 176.300 -0.137 0.000 1.111 1634 M CA 0.630 55.763 55.300 -0.278 0.000 1.127 1634 M CB -0.606 31.660 32.600 -0.555 0.000 1.376 1634 M HN 0.221 nan 8.290 nan 0.000 0.465 1635 V N -0.893 118.968 119.914 -0.088 0.000 2.492 1635 V HA -0.059 4.061 4.120 0.000 0.000 0.241 1635 V C 2.365 178.407 176.094 -0.085 0.000 1.041 1635 V CA 0.740 63.002 62.300 -0.064 0.000 1.057 1635 V CB -0.091 31.708 31.823 -0.041 0.000 0.711 1635 V HN 0.115 nan 8.190 nan 0.000 0.468 1636 V N -0.383 119.463 119.914 -0.113 0.000 2.283 1636 V HA -0.146 3.975 4.120 0.000 0.000 0.243 1636 V C 2.073 177.928 176.094 -0.398 0.000 1.039 1636 V CA 2.259 64.377 62.300 -0.303 0.000 1.016 1636 V CB -0.585 30.956 31.823 -0.470 0.000 0.650 1636 V HN 0.482 nan 8.190 nan 0.000 0.449 1637 F N 0.094 120.002 119.950 -0.069 0.000 2.505 1637 F HA 0.532 5.059 4.527 0.000 0.000 0.289 1637 F C 1.544 177.297 175.800 -0.078 0.000 1.101 1637 F CA 0.658 58.618 58.000 -0.067 0.000 1.446 1637 F CB -0.606 38.353 39.000 -0.068 0.000 1.123 1637 F HN 0.306 nan 8.300 nan 0.000 0.564 1638 G N 0.017 108.859 108.800 0.071 0.000 2.860 1638 G HA2 -0.268 3.692 3.960 0.000 0.000 0.553 1638 G HA3 -0.268 3.692 3.960 0.000 0.000 0.553 1638 G C -0.477 174.404 174.900 -0.032 0.000 1.439 1638 G CA -1.115 43.974 45.100 -0.018 0.000 0.879 1638 G HN 0.287 nan 8.290 nan 0.000 0.545 1639 c N 3.273 121.826 118.600 -0.078 0.000 2.519 1639 c HA 0.326 4.896 4.570 0.000 0.000 0.402 1639 c C -0.374 173.685 174.090 -0.052 0.000 1.475 1639 c CA -0.070 56.206 56.329 -0.089 0.000 1.504 1639 c CB -0.668 41.781 42.510 -0.102 0.000 2.454 1639 c HN 0.729 nan 8.230 nan 0.000 0.615 1640 P HA 0.170 nan 4.420 nan 0.000 0.269 1640 P C -0.104 177.174 177.300 -0.037 0.000 1.215 1640 P CA 0.281 63.357 63.100 -0.040 0.000 0.780 1640 P CB 0.423 32.087 31.700 -0.060 0.000 0.898 1641 N N 0.000 118.685 118.700 -0.025 0.000 1.763 1641 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1641 N CA 0.000 53.037 53.050 -0.021 0.000 0.885 1641 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667