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 3g6j_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 EQNMIGMTPT 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 ETXXXXXXXK 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 0.000 176.343 176.300 0.072 0.000 2.045 730 D CA 0.000 54.041 54.000 0.068 0.000 0.868 730 D CB 0.000 40.871 40.800 0.118 0.000 0.688 731 E N 0.522 120.775 120.200 0.087 0.000 2.343 731 E HA 0.450 4.800 4.350 0.000 0.000 0.269 731 E C -0.425 176.234 176.600 0.099 0.000 1.047 731 E CA -0.325 56.117 56.400 0.070 0.000 0.874 731 E CB 0.646 30.379 29.700 0.054 0.000 1.033 731 E HN 0.482 nan 8.360 nan 0.000 0.409 732 D N 0.289 120.723 120.400 0.055 0.000 2.746 732 D HA -0.184 4.456 4.640 0.000 0.000 0.236 732 D C -1.319 174.979 176.300 -0.003 0.000 1.129 732 D CA 0.695 54.718 54.000 0.038 0.000 0.691 732 D CB -0.854 40.006 40.800 0.100 0.000 1.077 732 D HN 0.479 nan 8.370 nan 0.000 0.432 733 I N -0.494 120.044 120.570 -0.054 0.000 2.787 733 I HA 0.355 4.525 4.170 0.000 0.000 0.294 733 I C -0.543 175.502 176.117 -0.119 0.000 1.365 733 I CA -1.086 60.109 61.300 -0.173 0.000 1.029 733 I CB 1.259 39.029 38.000 -0.383 0.000 1.313 733 I HN -0.041 nan 8.210 nan 0.000 0.431 734 I N 6.014 126.517 120.570 -0.113 0.000 2.618 734 I HA 0.231 4.401 4.170 0.000 0.000 0.284 734 I C 0.836 176.920 176.117 -0.055 0.000 1.146 734 I CA 0.149 61.422 61.300 -0.045 0.000 1.425 734 I CB 1.015 39.012 38.000 -0.006 0.000 1.383 734 I HN 0.654 nan 8.210 nan 0.000 0.562 735 A N 6.025 128.831 122.820 -0.024 0.000 2.340 735 A HA 0.138 4.458 4.320 0.000 0.000 0.268 735 A C 1.302 178.878 177.584 -0.014 0.000 1.100 735 A CA -0.431 51.593 52.037 -0.023 0.000 0.803 735 A CB 0.714 19.709 19.000 -0.008 0.000 1.043 735 A HN 0.855 nan 8.150 nan 0.000 0.488 736 E N 1.008 121.198 120.200 -0.017 0.000 2.070 736 E HA -0.258 4.092 4.350 0.000 0.000 0.197 736 E C 1.356 177.956 176.600 0.001 0.000 1.004 736 E CA 2.315 58.710 56.400 -0.009 0.000 0.805 736 E CB -0.023 29.671 29.700 -0.009 0.000 0.744 736 E HN 0.820 nan 8.360 nan 0.000 0.451 737 E N 0.559 120.760 120.200 0.001 0.000 2.204 737 E HA -0.105 4.245 4.350 0.000 0.000 0.195 737 E C 1.725 178.331 176.600 0.009 0.000 0.990 737 E CA 0.962 57.364 56.400 0.005 0.000 0.821 737 E CB -0.178 29.523 29.700 0.003 0.000 0.750 737 E HN 0.259 nan 8.360 nan 0.000 0.477 738 N N 0.299 119.005 118.700 0.011 0.000 2.512 738 N HA -0.005 4.735 4.740 0.000 0.000 0.183 738 N C 0.056 175.581 175.510 0.024 0.000 1.073 738 N CA 0.473 53.534 53.050 0.018 0.000 0.911 738 N CB 0.203 38.704 38.487 0.023 0.000 0.964 738 N HN 0.226 nan 8.380 nan 0.000 0.447 739 I N 1.460 122.043 120.570 0.023 0.000 2.352 739 I HA 0.052 4.222 4.170 0.000 0.000 0.290 739 I C -0.229 175.905 176.117 0.028 0.000 1.036 739 I CA -0.308 61.011 61.300 0.033 0.000 1.336 739 I CB 1.218 39.239 38.000 0.034 0.000 1.407 739 I HN -0.321 nan 8.210 nan 0.000 0.497 740 V N 6.429 126.361 119.914 0.030 0.000 2.333 740 V HA 0.181 4.301 4.120 0.000 0.000 0.274 740 V C 0.346 176.455 176.094 0.025 0.000 1.028 740 V CA -0.416 61.895 62.300 0.019 0.000 0.851 740 V CB 1.154 32.982 31.823 0.008 0.000 1.000 740 V HN 0.752 nan 8.190 nan 0.000 0.456 741 S N 5.375 121.090 115.700 0.025 0.000 2.562 741 S HA 0.291 4.761 4.470 0.000 0.000 0.281 741 S C 0.467 175.079 174.600 0.020 0.000 1.333 741 S CA -0.469 57.756 58.200 0.041 0.000 1.052 741 S CB 0.336 63.563 63.200 0.045 0.000 0.884 741 S HN 0.617 nan 8.310 nan 0.000 0.506 742 R N 1.577 122.107 120.500 0.051 0.000 2.489 742 R HA 0.131 4.471 4.340 0.000 0.000 0.287 742 R C 1.026 177.250 176.300 -0.127 0.000 1.053 742 R CA 0.172 56.253 56.100 -0.031 0.000 1.036 742 R CB 0.387 30.755 30.300 0.113 0.000 0.966 742 R HN 0.851 nan 8.270 nan 0.000 0.432 743 S N 0.955 116.377 115.700 -0.463 0.000 2.692 743 S HA 0.020 4.490 4.470 0.000 0.000 0.269 743 S C 0.085 174.229 174.600 -0.761 0.000 1.080 743 S CA -0.558 57.380 58.200 -0.436 0.000 1.058 743 S CB 0.390 63.499 63.200 -0.153 0.000 0.982 743 S HN 0.581 nan 8.310 nan 0.000 0.534 744 E N 1.460 121.192 120.200 -0.780 0.000 1.932 744 E HA 0.236 4.586 4.350 0.000 0.000 0.275 744 E C -1.446 174.797 176.600 -0.596 0.000 1.159 744 E CA -0.137 55.943 56.400 -0.534 0.000 0.905 744 E CB 0.027 29.498 29.700 -0.381 0.000 1.059 744 E HN 0.473 nan 8.360 nan 0.000 0.400 745 F N 3.434 123.386 119.950 0.004 0.000 2.627 745 F HA 0.229 4.756 4.527 0.000 0.000 0.329 745 F C -1.808 174.056 175.800 0.106 0.000 1.378 745 F CA -2.300 55.738 58.000 0.062 0.000 1.134 745 F CB 0.276 39.300 39.000 0.041 0.000 1.229 745 F HN 0.221 nan 8.300 nan 0.000 0.537 746 P HA 0.161 nan 4.420 nan 0.000 0.275 746 P C 0.461 177.988 177.300 0.379 0.000 1.228 746 P CA -0.040 63.199 63.100 0.233 0.000 0.786 746 P CB 1.480 33.263 31.700 0.138 0.000 0.927 747 E N 0.267 120.640 120.200 0.289 0.000 2.208 747 E HA -0.022 4.328 4.350 0.000 0.000 0.193 747 E C 0.673 177.496 176.600 0.371 0.000 0.988 747 E CA 0.764 57.335 56.400 0.285 0.000 0.828 747 E CB 0.141 29.942 29.700 0.169 0.000 0.763 747 E HN 0.620 nan 8.360 nan 0.000 0.478 748 S N -0.647 115.265 115.700 0.355 0.000 2.570 748 S HA 0.542 5.012 4.470 0.000 0.000 0.270 748 S C -1.384 173.458 174.600 0.402 0.000 1.149 748 S CA -1.082 57.329 58.200 0.353 0.000 0.837 748 S CB 1.634 64.939 63.200 0.175 0.000 1.124 748 S HN 0.344 nan 8.310 nan 0.000 0.465 749 W N 0.330 121.649 121.300 0.032 0.000 2.798 749 W HA 0.612 5.272 4.660 0.000 0.000 0.434 749 W C -0.754 175.795 176.519 0.050 0.000 1.055 749 W CA -0.767 56.580 57.345 0.004 0.000 1.205 749 W CB -0.178 29.221 29.460 -0.102 0.000 1.460 749 W HN 1.366 nan 8.180 nan 0.000 0.609 750 L N 1.365 122.673 121.223 0.143 0.000 3.717 750 L HA -0.220 4.120 4.340 0.000 0.000 0.411 750 L C 0.152 177.049 176.870 0.044 0.000 1.233 750 L CA 0.631 55.419 54.840 -0.088 0.000 0.917 750 L CB -1.004 40.653 42.059 -0.670 0.000 1.902 750 L HN 0.577 nan 8.230 nan 0.000 0.894 751 W N 2.614 123.893 121.300 -0.035 0.000 1.371 751 W HA 0.166 4.826 4.660 0.000 0.000 0.482 751 W C 0.501 177.011 176.519 -0.015 0.000 0.640 751 W CA -0.308 57.022 57.345 -0.025 0.000 2.164 751 W CB -0.235 29.230 29.460 0.008 0.000 1.613 751 W HN 0.441 nan 8.180 nan 0.000 0.212 752 N N 0.600 119.224 118.700 -0.128 0.000 2.477 752 N HA 0.415 5.155 4.740 0.000 0.000 0.284 752 N C -1.278 174.114 175.510 -0.197 0.000 1.182 752 N CA -0.707 52.276 53.050 -0.110 0.000 0.949 752 N CB 2.331 40.783 38.487 -0.058 0.000 1.204 752 N HN -0.241 nan 8.380 nan 0.000 0.526 753 V N 2.030 121.868 119.914 -0.126 0.000 2.398 753 V HA 0.256 4.376 4.120 0.000 0.000 0.282 753 V C -0.863 175.184 176.094 -0.078 0.000 1.014 753 V CA -0.572 61.654 62.300 -0.123 0.000 0.838 753 V CB 1.148 32.908 31.823 -0.106 0.000 1.018 753 V HN 0.571 nan 8.190 nan 0.000 0.432 754 E N 2.357 122.509 120.200 -0.079 0.000 2.212 754 E HA 0.567 4.917 4.350 0.000 0.000 0.268 754 E C -1.299 175.268 176.600 -0.055 0.000 0.902 754 E CA -0.764 55.602 56.400 -0.056 0.000 0.779 754 E CB 2.676 32.346 29.700 -0.050 0.000 1.172 754 E HN 0.543 nan 8.360 nan 0.000 0.409 755 D N 1.266 121.640 120.400 -0.043 0.000 2.181 755 D HA 0.294 4.934 4.640 0.000 0.000 0.248 755 D C 0.062 176.340 176.300 -0.035 0.000 1.020 755 D CA -0.452 53.524 54.000 -0.039 0.000 0.891 755 D CB 1.272 42.052 40.800 -0.033 0.000 1.187 755 D HN 0.172 nan 8.370 nan 0.000 0.443 756 L N 2.427 123.629 121.223 -0.036 0.000 2.536 756 L HA 0.201 4.541 4.340 0.000 0.000 0.242 756 L C 1.289 178.142 176.870 -0.027 0.000 1.280 756 L CA -0.121 54.699 54.840 -0.033 0.000 1.221 756 L CB 0.020 42.057 42.059 -0.036 0.000 1.449 756 L HN 0.180 nan 8.230 nan 0.000 0.405 757 K N 0.488 120.873 120.400 -0.024 0.000 2.487 757 K HA 0.022 4.342 4.320 0.000 0.000 0.192 757 K C 0.391 176.980 176.600 -0.019 0.000 1.027 757 K CA 0.275 56.549 56.287 -0.020 0.000 1.054 757 K CB 0.136 32.626 32.500 -0.018 0.000 0.824 757 K HN 0.350 nan 8.250 nan 0.000 0.510 758 E N 1.444 121.631 120.200 -0.020 0.000 2.390 758 E HA 0.095 4.446 4.350 0.000 0.000 0.261 758 E C -2.373 174.216 176.600 -0.019 0.000 1.076 758 E CA -2.043 54.345 56.400 -0.019 0.000 0.905 758 E CB 0.204 29.892 29.700 -0.020 0.000 0.984 758 E HN 0.045 nan 8.360 nan 0.000 0.427 759 P HA 0.163 nan 4.420 nan 0.000 0.276 759 P C -2.518 174.771 177.300 -0.017 0.000 1.235 759 P CA -1.267 61.824 63.100 -0.016 0.000 0.772 759 P CB 0.227 31.919 31.700 -0.014 0.000 0.871 760 P HA 0.399 nan 4.420 nan 0.000 0.276 760 P C -0.690 176.600 177.300 -0.017 0.000 1.252 760 P CA -0.350 62.738 63.100 -0.019 0.000 0.802 760 P CB 0.891 32.580 31.700 -0.018 0.000 1.035 761 K N 1.448 121.837 120.400 -0.019 0.000 2.565 761 K HA 0.262 4.582 4.320 0.000 0.000 0.249 761 K C -0.726 175.863 176.600 -0.018 0.000 0.958 761 K CA -0.591 55.685 56.287 -0.017 0.000 0.806 761 K CB 1.154 33.644 32.500 -0.017 0.000 1.194 761 K HN 0.269 nan 8.250 nan 0.000 0.434 762 N N 1.308 119.998 118.700 -0.016 0.000 2.741 762 N HA -0.187 4.553 4.740 0.000 0.000 0.250 762 N C 0.459 175.959 175.510 -0.017 0.000 1.115 762 N CA 1.590 54.630 53.050 -0.016 0.000 0.724 762 N CB -1.128 37.349 38.487 -0.017 0.000 1.090 762 N HN 1.104 nan 8.380 nan 0.000 0.558 763 G N -1.267 107.522 108.800 -0.017 0.000 2.160 763 G HA2 -0.272 3.688 3.960 0.000 0.000 0.251 763 G HA3 -0.272 3.688 3.960 0.000 0.000 0.251 763 G C -0.221 174.666 174.900 -0.021 0.000 1.008 763 G CA 0.385 45.474 45.100 -0.018 0.000 0.724 763 G HN 0.415 nan 8.290 nan 0.000 0.514 764 I N 1.513 122.070 120.570 -0.023 0.000 2.495 764 I HA 0.277 4.447 4.170 0.000 0.000 0.277 764 I C 0.394 176.494 176.117 -0.029 0.000 1.045 764 I CA -0.741 60.543 61.300 -0.027 0.000 1.135 764 I CB 1.099 39.081 38.000 -0.030 0.000 1.241 764 I HN 0.022 nan 8.210 nan 0.000 0.469 765 S N 4.594 120.277 115.700 -0.029 0.000 2.430 765 S HA 0.249 4.719 4.470 0.000 0.000 0.282 765 S C 0.608 175.187 174.600 -0.034 0.000 1.186 765 S CA -0.116 58.066 58.200 -0.029 0.000 1.060 765 S CB 0.246 63.430 63.200 -0.028 0.000 0.966 765 S HN 0.521 nan 8.310 nan 0.000 0.501 766 T N 4.180 118.713 114.554 -0.034 0.000 2.889 766 T HA 0.396 4.746 4.350 0.000 0.000 0.291 766 T C 0.071 174.749 174.700 -0.037 0.000 0.995 766 T CA -0.610 61.466 62.100 -0.040 0.000 1.092 766 T CB 0.810 69.654 68.868 -0.041 0.000 0.954 766 T HN 0.526 nan 8.240 nan 0.000 0.506 767 K N 2.643 123.017 120.400 -0.042 0.000 2.427 767 K HA 0.572 4.892 4.320 0.000 0.000 0.252 767 K C -1.505 175.071 176.600 -0.041 0.000 0.931 767 K CA -0.782 55.482 56.287 -0.038 0.000 0.793 767 K CB 1.102 33.579 32.500 -0.038 0.000 1.211 767 K HN 0.480 nan 8.250 nan 0.000 0.426 768 L N 5.015 126.218 121.223 -0.033 0.000 2.287 768 L HA 0.486 4.826 4.340 0.000 0.000 0.287 768 L C -0.256 176.599 176.870 -0.025 0.000 1.022 768 L CA -0.693 54.127 54.840 -0.033 0.000 0.814 768 L CB 1.545 43.587 42.059 -0.029 0.000 1.217 768 L HN 0.593 nan 8.230 nan 0.000 0.420 769 M N 3.301 122.885 119.600 -0.026 0.000 2.336 769 M HA 0.359 4.840 4.480 0.000 0.000 0.342 769 M C -0.688 175.602 176.300 -0.016 0.000 1.128 769 M CA -0.573 54.718 55.300 -0.014 0.000 1.016 769 M CB 1.818 34.410 32.600 -0.014 0.000 1.665 769 M HN 0.457 nan 8.290 nan 0.000 0.445 770 N N 4.783 123.479 118.700 -0.007 0.000 2.485 770 N HA 0.454 5.194 4.740 0.000 0.000 0.243 770 N C -0.965 174.539 175.510 -0.008 0.000 0.987 770 N CA -0.183 52.843 53.050 -0.041 0.000 0.940 770 N CB 0.832 39.297 38.487 -0.037 0.000 1.122 770 N HN 0.621 nan 8.380 nan 0.000 0.509 771 I N -1.731 118.816 120.570 -0.040 0.000 2.707 771 I HA 0.630 4.800 4.170 0.000 0.000 0.309 771 I C -0.891 175.181 176.117 -0.074 0.000 1.001 771 I CA -0.901 60.447 61.300 0.081 0.000 1.129 771 I CB 1.210 39.301 38.000 0.151 0.000 1.308 771 I HN 0.027 nan 8.210 nan 0.000 0.466 772 F N 4.617 124.613 119.950 0.076 0.000 2.347 772 F HA 0.508 5.035 4.527 0.000 0.000 0.366 772 F C -0.059 175.669 175.800 -0.120 0.000 1.107 772 F CA -0.622 57.370 58.000 -0.013 0.000 1.058 772 F CB 1.435 40.399 39.000 -0.060 0.000 1.236 772 F HN 0.298 nan 8.300 nan 0.000 0.456 773 L N 4.798 126.049 121.223 0.045 0.000 2.485 773 L HA 0.093 4.433 4.340 0.000 0.000 0.275 773 L C 0.749 177.475 176.870 -0.240 0.000 1.207 773 L CA -0.179 54.617 54.840 -0.075 0.000 0.855 773 L CB 0.181 42.303 42.059 0.105 0.000 1.114 773 L HN 0.497 nan 8.230 nan 0.000 0.485 774 K N 1.580 121.676 120.400 -0.507 0.000 2.140 774 K HA 0.095 4.415 4.320 0.000 0.000 0.237 774 K C 0.241 176.812 176.600 -0.048 0.000 1.045 774 K CA -0.503 55.543 56.287 -0.401 0.000 0.896 774 K CB 0.455 32.571 32.500 -0.641 0.000 1.122 774 K HN 0.454 nan 8.250 nan 0.000 0.503 775 D N 0.154 120.486 120.400 -0.115 0.000 2.347 775 D HA -0.009 4.631 4.640 0.000 0.000 0.213 775 D C -0.057 176.390 176.300 0.244 0.000 0.985 775 D CA 0.482 54.445 54.000 -0.061 0.000 0.879 775 D CB 0.033 40.596 40.800 -0.395 0.000 0.919 775 D HN 0.221 nan 8.370 nan 0.000 0.526 776 S N 0.536 116.488 115.700 0.419 0.000 2.552 776 S HA 0.083 4.553 4.470 0.000 0.000 0.289 776 S C 0.716 175.348 174.600 0.053 0.000 1.304 776 S CA -0.116 58.299 58.200 0.358 0.000 1.063 776 S CB 0.746 64.074 63.200 0.213 0.000 0.848 776 S HN 0.134 nan 8.310 nan 0.000 0.499 777 I N 3.259 123.750 120.570 -0.132 0.000 2.282 777 I HA 0.305 4.475 4.170 0.000 0.000 0.290 777 I C 0.645 176.547 176.117 -0.358 0.000 1.090 777 I CA 0.088 61.193 61.300 -0.325 0.000 1.231 777 I CB 0.470 38.073 38.000 -0.661 0.000 1.434 777 I HN 0.632 nan 8.210 nan 0.000 0.487 778 T N 2.991 117.321 114.554 -0.373 0.000 2.647 778 T HA 0.366 4.716 4.350 0.000 0.000 0.302 778 T C -1.034 173.413 174.700 -0.420 0.000 1.389 778 T CA -0.266 61.578 62.100 -0.428 0.000 1.037 778 T CB 1.862 70.370 68.868 -0.600 0.000 1.755 778 T HN 0.298 nan 8.240 nan 0.000 0.467 779 T N 1.674 115.973 114.554 -0.426 0.000 2.812 779 T HA 0.572 4.922 4.350 0.000 0.000 0.282 779 T C -1.293 173.199 174.700 -0.346 0.000 0.990 779 T CA -0.272 61.638 62.100 -0.316 0.000 0.960 779 T CB 0.475 69.231 68.868 -0.186 0.000 0.948 779 T HN 0.444 nan 8.240 nan 0.000 0.438 780 W N 1.986 123.265 121.300 -0.035 0.000 2.376 780 W HA 0.484 5.144 4.660 0.000 0.000 0.322 780 W C 0.701 177.158 176.519 -0.104 0.000 1.160 780 W CA -0.745 56.588 57.345 -0.020 0.000 1.218 780 W CB 0.659 30.142 29.460 0.037 0.000 1.205 780 W HN 0.571 nan 8.180 nan 0.000 0.559 781 E N 3.624 123.928 120.200 0.172 0.000 2.133 781 E HA 0.413 4.763 4.350 0.000 0.000 0.274 781 E C -1.091 175.536 176.600 0.045 0.000 0.930 781 E CA -0.482 55.951 56.400 0.054 0.000 0.770 781 E CB 0.710 30.436 29.700 0.043 0.000 1.104 781 E HN 0.421 nan 8.360 nan 0.000 0.403 782 I N 5.263 125.839 120.570 0.010 0.000 2.336 782 I HA 0.261 4.431 4.170 0.000 0.000 0.292 782 I C -0.826 175.313 176.117 0.037 0.000 0.991 782 I CA -1.024 60.273 61.300 -0.005 0.000 1.227 782 I CB 1.313 39.330 38.000 0.027 0.000 1.366 782 I HN 0.480 nan 8.210 nan 0.000 0.466 783 L N 7.219 128.444 121.223 0.003 0.000 2.356 783 L HA 0.793 5.133 4.340 0.000 0.000 0.277 783 L C -0.625 176.227 176.870 -0.031 0.000 0.996 783 L CA -0.456 54.389 54.840 0.007 0.000 0.822 783 L CB 1.480 43.551 42.059 0.020 0.000 1.256 783 L HN 0.639 nan 8.230 nan 0.000 0.413 784 A N 5.072 127.873 122.820 -0.031 0.000 2.330 784 A HA 0.795 5.115 4.320 0.000 0.000 0.313 784 A C -1.293 176.257 177.584 -0.057 0.000 1.124 784 A CA -0.529 51.470 52.037 -0.063 0.000 0.774 784 A CB 1.375 20.340 19.000 -0.060 0.000 1.198 784 A HN 0.496 nan 8.150 nan 0.000 0.465 785 V N 2.278 122.145 119.914 -0.078 0.000 2.483 785 V HA 0.698 4.818 4.120 0.000 0.000 0.295 785 V C 0.465 176.515 176.094 -0.075 0.000 1.035 785 V CA -0.252 62.008 62.300 -0.066 0.000 0.896 785 V CB 1.689 33.472 31.823 -0.066 0.000 0.986 785 V HN 1.080 nan 8.190 nan 0.000 0.447 786 S N 4.537 120.202 115.700 -0.058 0.000 2.503 786 S HA 0.887 5.357 4.470 0.000 0.000 0.301 786 S C -0.858 173.714 174.600 -0.047 0.000 1.087 786 S CA -0.754 57.412 58.200 -0.057 0.000 1.042 786 S CB 1.874 65.043 63.200 -0.051 0.000 1.043 786 S HN 0.655 nan 8.310 nan 0.000 0.489 787 M N 2.804 122.376 119.600 -0.047 0.000 2.326 787 M HA 0.687 5.167 4.480 0.000 0.000 0.306 787 M C -0.870 175.409 176.300 -0.034 0.000 1.054 787 M CA -0.027 55.250 55.300 -0.038 0.000 0.922 787 M CB 2.107 34.684 32.600 -0.039 0.000 1.632 787 M HN 0.878 nan 8.290 nan 0.000 0.436 788 S N 2.512 118.195 115.700 -0.028 0.000 2.548 788 S HA 0.416 4.886 4.470 0.000 0.000 0.276 788 S C -0.089 174.498 174.600 -0.020 0.000 1.129 788 S CA -0.587 57.598 58.200 -0.025 0.000 0.931 788 S CB 1.281 64.466 63.200 -0.024 0.000 1.068 788 S HN 0.862 nan 8.310 nan 0.000 0.480 789 D N 2.339 122.728 120.400 -0.019 0.000 2.123 789 D HA -0.046 4.594 4.640 0.000 0.000 0.196 789 D C 1.447 177.738 176.300 -0.014 0.000 0.992 789 D CA 1.489 55.480 54.000 -0.016 0.000 0.833 789 D CB 0.181 40.973 40.800 -0.015 0.000 0.954 789 D HN 0.389 nan 8.370 nan 0.000 0.455 790 K N 0.042 120.433 120.400 -0.015 0.000 2.076 790 K HA 0.104 4.424 4.320 0.000 0.000 0.204 790 K C 1.266 177.858 176.600 -0.014 0.000 1.051 790 K CA 1.005 57.283 56.287 -0.014 0.000 0.949 790 K CB 0.305 32.797 32.500 -0.014 0.000 0.726 790 K HN -0.005 nan 8.250 nan 0.000 0.443 791 K N -0.859 119.531 120.400 -0.016 0.000 2.402 791 K HA 0.260 4.580 4.320 0.000 0.000 0.204 791 K C 0.304 176.895 176.600 -0.016 0.000 1.056 791 K CA 0.348 56.626 56.287 -0.016 0.000 1.069 791 K CB 1.485 33.975 32.500 -0.017 0.000 0.888 791 K HN 0.272 nan 8.250 nan 0.000 0.546 792 G N 2.407 111.197 108.800 -0.017 0.000 2.542 792 G HA2 -0.282 3.678 3.960 0.000 0.000 0.235 792 G HA3 -0.282 3.678 3.960 0.000 0.000 0.235 792 G C -0.601 174.288 174.900 -0.019 0.000 1.286 792 G CA -0.473 44.617 45.100 -0.016 0.000 0.904 792 G HN 0.201 nan 8.290 nan 0.000 0.577 793 I N 0.102 120.661 120.570 -0.018 0.000 2.396 793 I HA 0.574 4.744 4.170 0.000 0.000 0.292 793 I C 0.115 176.220 176.117 -0.020 0.000 0.999 793 I CA -0.512 60.776 61.300 -0.021 0.000 1.310 793 I CB 0.988 38.978 38.000 -0.017 0.000 1.404 793 I HN 0.905 nan 8.210 nan 0.000 0.496 794 C N 7.829 127.115 119.300 -0.024 0.000 2.571 794 C HA 0.458 4.918 4.460 0.000 0.000 0.343 794 C C -0.640 174.336 174.990 -0.025 0.000 1.082 794 C CA -0.488 58.516 59.018 -0.023 0.000 1.339 794 C CB 0.289 28.014 27.740 -0.025 0.000 1.893 794 C HN 0.553 nan 8.230 nan 0.000 0.445 795 V N 6.762 126.665 119.914 -0.018 0.000 2.408 795 V HA 0.518 4.638 4.120 0.000 0.000 0.267 795 V C 1.147 177.234 176.094 -0.011 0.000 1.047 795 V CA 0.454 62.745 62.300 -0.015 0.000 0.937 795 V CB 0.912 32.730 31.823 -0.007 0.000 0.999 795 V HN 1.066 nan 8.190 nan 0.000 0.472 796 A N 4.879 127.690 122.820 -0.014 0.000 2.296 796 A HA 0.340 4.660 4.320 0.000 0.000 0.264 796 A C 0.212 177.800 177.584 0.007 0.000 1.097 796 A CA -0.508 51.524 52.037 -0.009 0.000 0.811 796 A CB 0.166 19.156 19.000 -0.017 0.000 1.072 796 A HN 0.750 nan 8.150 nan 0.000 0.495 797 D N 0.760 121.168 120.400 0.014 0.000 2.345 797 D HA 0.391 5.031 4.640 0.000 0.000 0.247 797 D C -2.167 174.169 176.300 0.061 0.000 1.108 797 D CA -0.488 53.531 54.000 0.032 0.000 0.894 797 D CB 0.504 41.324 40.800 0.033 0.000 1.203 797 D HN 0.199 nan 8.370 nan 0.000 0.430 798 P HA 0.128 nan 4.420 nan 0.000 0.269 798 P C -0.685 176.712 177.300 0.163 0.000 1.209 798 P CA -0.239 62.914 63.100 0.088 0.000 0.776 798 P CB 0.293 32.026 31.700 0.054 0.000 0.876 799 F N 1.898 121.848 119.950 -0.000 0.000 2.477 799 F HA 0.345 4.872 4.527 -0.000 0.000 0.335 799 F C -0.290 175.525 175.800 0.026 0.000 1.130 799 F CA -0.979 57.024 58.000 0.005 0.000 0.948 799 F CB 1.373 40.368 39.000 -0.008 0.000 1.154 799 F HN 0.243 nan 8.300 nan 0.000 0.439 800 E N 4.809 124.664 120.200 -0.575 0.000 2.216 800 E HA 0.568 4.918 4.350 0.000 0.000 0.279 800 E C -1.230 174.927 176.600 -0.739 0.000 0.997 800 E CA -0.892 55.212 56.400 -0.493 0.000 0.817 800 E CB 2.471 32.043 29.700 -0.214 0.000 1.096 800 E HN 0.413 nan 8.360 nan 0.000 0.393 801 V N 2.434 122.115 119.914 -0.389 0.000 2.588 801 V HA 0.306 4.426 4.120 0.000 0.000 0.304 801 V C -0.316 175.765 176.094 -0.022 0.000 1.042 801 V CA -0.721 61.462 62.300 -0.195 0.000 0.877 801 V CB 2.183 33.980 31.823 -0.044 0.000 0.996 801 V HN 0.671 nan 8.190 nan 0.000 0.425 802 T N 4.078 118.614 114.554 -0.031 0.000 2.809 802 T HA 0.509 4.859 4.350 0.000 0.000 0.296 802 T C -0.321 174.365 174.700 -0.024 0.000 1.015 802 T CA -0.254 61.811 62.100 -0.058 0.000 0.954 802 T CB 1.249 70.064 68.868 -0.088 0.000 0.950 802 T HN 0.356 nan 8.240 nan 0.000 0.450 803 V N 5.111 125.009 119.914 -0.025 0.000 2.539 803 V HA 0.809 4.929 4.120 0.000 0.000 0.292 803 V C -0.020 176.007 176.094 -0.111 0.000 1.045 803 V CA -0.650 61.649 62.300 -0.001 0.000 0.945 803 V CB 1.444 33.335 31.823 0.114 0.000 0.993 803 V HN 0.941 nan 8.190 nan 0.000 0.464 804 M N 4.162 123.702 119.600 -0.099 0.000 2.569 804 M HA 0.452 4.932 4.480 0.000 0.000 0.287 804 M C -1.935 174.329 176.300 -0.059 0.000 1.130 804 M CA -0.024 55.182 55.300 -0.156 0.000 0.885 804 M CB 2.027 34.546 32.600 -0.135 0.000 1.759 804 M HN 0.654 nan 8.290 nan 0.000 0.515 805 Q N 1.335 121.125 119.800 -0.017 0.000 2.451 805 Q HA 0.411 4.751 4.340 0.000 0.000 0.281 805 Q C -0.701 175.500 176.000 0.335 0.000 1.099 805 Q CA -0.978 54.923 55.803 0.163 0.000 0.806 805 Q CB 1.940 30.808 28.738 0.215 0.000 1.419 805 Q HN 0.771 nan 8.270 nan 0.000 0.427 806 D N 0.023 120.610 120.400 0.310 0.000 2.219 806 D HA 0.009 4.649 4.640 0.000 0.000 0.205 806 D C -0.502 176.071 176.300 0.454 0.000 0.970 806 D CA 1.289 55.501 54.000 0.352 0.000 0.851 806 D CB 0.265 41.210 40.800 0.242 0.000 0.943 806 D HN 0.270 nan 8.370 nan 0.000 0.488 807 F N 0.546 120.672 119.950 0.293 0.000 2.581 807 F HA 0.484 5.011 4.527 0.000 0.000 0.311 807 F C -1.794 174.200 175.800 0.324 0.000 1.113 807 F CA -1.181 56.934 58.000 0.190 0.000 0.935 807 F CB 1.117 40.161 39.000 0.074 0.000 1.232 807 F HN -0.153 nan 8.300 nan 0.000 0.445 808 F N 4.093 123.500 119.950 -0.906 0.000 2.770 808 F HA 0.644 5.171 4.527 0.000 0.000 0.313 808 F C -2.206 173.307 175.800 -0.479 0.000 1.154 808 F CA -1.622 55.999 58.000 -0.632 0.000 0.923 808 F CB 0.752 39.650 39.000 -0.171 0.000 1.301 808 F HN 0.351 nan 8.300 nan 0.000 0.449 809 I N 1.995 122.545 120.570 -0.033 0.000 2.353 809 I HA 0.293 4.463 4.170 0.000 0.000 0.293 809 I C -0.913 175.349 176.117 0.242 0.000 0.992 809 I CA -0.246 61.072 61.300 0.029 0.000 1.268 809 I CB 1.185 39.205 38.000 0.032 0.000 1.387 809 I HN 0.511 nan 8.210 nan 0.000 0.478 810 D N 6.804 127.346 120.400 0.236 0.000 2.414 810 D HA 0.275 4.915 4.640 0.000 0.000 0.232 810 D C -1.158 175.188 176.300 0.077 0.000 1.070 810 D CA -0.519 53.600 54.000 0.199 0.000 0.839 810 D CB 1.473 42.477 40.800 0.341 0.000 1.079 810 D HN 0.158 nan 8.370 nan 0.000 0.521 811 L N 5.137 126.363 121.223 0.005 0.000 2.259 811 L HA 0.395 4.735 4.340 0.000 0.000 0.288 811 L C -0.371 176.480 176.870 -0.032 0.000 1.051 811 L CA -0.373 54.461 54.840 -0.009 0.000 0.824 811 L CB 0.419 42.462 42.059 -0.027 0.000 1.206 811 L HN 0.180 nan 8.230 nan 0.000 0.429 812 R N 5.559 126.056 120.500 -0.004 0.000 2.408 812 R HA 0.348 4.689 4.340 0.000 0.000 0.308 812 R C -0.927 175.368 176.300 -0.008 0.000 1.210 812 R CA -0.629 55.466 56.100 -0.007 0.000 1.115 812 R CB -0.101 30.205 30.300 0.009 0.000 1.127 812 R HN 0.425 nan 8.270 nan 0.000 0.523 813 L N 3.969 125.181 121.223 -0.019 0.000 2.325 813 L HA 0.480 4.820 4.340 0.000 0.000 0.279 813 L C -1.645 175.231 176.870 0.010 0.000 1.054 813 L CA -1.859 52.974 54.840 -0.011 0.000 0.804 813 L CB 0.621 42.665 42.059 -0.025 0.000 1.200 813 L HN 0.355 nan 8.230 nan 0.000 0.436 814 P HA 0.069 nan 4.420 nan 0.000 0.275 814 P C 0.125 177.473 177.300 0.080 0.000 1.266 814 P CA -0.214 62.918 63.100 0.054 0.000 0.793 814 P CB 0.360 32.091 31.700 0.053 0.000 1.074 815 Y N 0.244 120.548 120.300 0.006 0.000 2.263 815 Y HA -0.017 4.533 4.550 0.000 0.000 0.292 815 Y C 0.559 176.473 175.900 0.024 0.000 1.130 815 Y CA 1.549 59.657 58.100 0.013 0.000 1.179 815 Y CB 0.212 38.678 38.460 0.009 0.000 0.998 815 Y HN 0.427 nan 8.280 nan 0.000 0.532 816 S N -0.382 115.339 115.700 0.035 0.000 2.547 816 S HA 0.627 5.097 4.470 0.000 0.000 0.270 816 S C -1.276 173.352 174.600 0.047 0.000 1.150 816 S CA -0.361 57.816 58.200 -0.037 0.000 0.850 816 S CB 1.458 64.655 63.200 -0.005 0.000 1.118 816 S HN 0.607 nan 8.310 nan 0.000 0.461 817 V N -0.656 119.279 119.914 0.035 0.000 2.876 817 V HA 0.887 5.007 4.120 0.000 0.000 0.312 817 V C -0.250 175.870 176.094 0.042 0.000 1.085 817 V CA -0.949 61.385 62.300 0.057 0.000 0.945 817 V CB 1.278 33.150 31.823 0.082 0.000 1.017 817 V HN 0.883 nan 8.190 nan 0.000 0.428 818 V N 2.768 122.710 119.914 0.046 0.000 2.732 818 V HA 0.401 4.521 4.120 0.000 0.000 0.297 818 V C 0.776 176.879 176.094 0.015 0.000 1.060 818 V CA -0.385 61.933 62.300 0.030 0.000 1.038 818 V CB 1.267 33.113 31.823 0.039 0.000 1.003 818 V HN 1.065 nan 8.190 nan 0.000 0.481 819 R N 3.289 123.783 120.500 -0.011 0.000 2.537 819 R HA 0.097 4.437 4.340 0.000 0.000 0.280 819 R C 0.857 177.149 176.300 -0.014 0.000 1.058 819 R CA 0.941 57.023 56.100 -0.030 0.000 1.057 819 R CB -0.379 29.889 30.300 -0.053 0.000 0.973 819 R HN 0.888 nan 8.270 nan 0.000 0.438 820 N N 0.245 118.933 118.700 -0.019 0.000 2.815 820 N HA -0.277 4.463 4.740 0.000 0.000 0.247 820 N C -1.034 174.480 175.510 0.007 0.000 1.030 820 N CA 1.203 54.249 53.050 -0.007 0.000 0.881 820 N CB -0.596 37.891 38.487 -0.001 0.000 1.134 820 N HN 0.721 nan 8.380 nan 0.000 0.582 821 E N 1.650 121.863 120.200 0.021 0.000 2.081 821 E HA 0.122 4.472 4.350 0.000 0.000 0.281 821 E C -0.270 176.358 176.600 0.047 0.000 0.986 821 E CA -0.404 56.022 56.400 0.042 0.000 0.796 821 E CB 0.738 30.474 29.700 0.059 0.000 1.085 821 E HN 0.163 nan 8.360 nan 0.000 0.398 822 Q N 3.267 123.075 119.800 0.012 0.000 2.300 822 Q HA 0.161 4.501 4.340 0.000 0.000 0.280 822 Q C -0.740 175.319 176.000 0.098 0.000 1.033 822 Q CA -0.145 55.615 55.803 -0.070 0.000 0.903 822 Q CB 0.668 29.199 28.738 -0.345 0.000 1.195 822 Q HN 0.407 nan 8.270 nan 0.000 0.386 823 V N 0.641 120.629 119.914 0.123 0.000 3.007 823 V HA 0.581 4.701 4.120 0.000 0.000 0.311 823 V C -1.045 175.215 176.094 0.277 0.000 1.120 823 V CA -1.132 61.335 62.300 0.277 0.000 0.980 823 V CB 1.823 33.743 31.823 0.163 0.000 1.033 823 V HN 0.907 nan 8.190 nan 0.000 0.429 824 E N 2.952 123.346 120.200 0.324 0.000 2.175 824 E HA 0.734 5.084 4.350 0.000 0.000 0.278 824 E C -0.706 175.969 176.600 0.126 0.000 0.969 824 E CA -0.807 55.734 56.400 0.235 0.000 0.796 824 E CB 1.698 31.533 29.700 0.225 0.000 1.104 824 E HN 0.891 nan 8.360 nan 0.000 0.395 825 I N 0.429 121.065 120.570 0.111 0.000 2.957 825 I HA 0.659 4.830 4.170 0.000 0.000 0.310 825 I C -0.815 175.355 176.117 0.089 0.000 1.063 825 I CA -1.265 60.081 61.300 0.077 0.000 1.033 825 I CB 2.042 40.071 38.000 0.049 0.000 1.230 825 I HN 0.311 nan 8.210 nan 0.000 0.447 826 R N 2.862 123.399 120.500 0.061 0.000 2.561 826 R HA 0.706 5.046 4.340 0.000 0.000 0.297 826 R C -1.203 175.131 176.300 0.056 0.000 0.969 826 R CA -0.910 55.214 56.100 0.040 0.000 0.879 826 R CB 2.122 32.424 30.300 0.003 0.000 1.178 826 R HN 0.888 nan 8.270 nan 0.000 0.445 827 A N 3.164 126.025 122.820 0.069 0.000 2.277 827 A HA 0.474 4.794 4.320 0.000 0.000 0.318 827 A C -0.157 177.414 177.584 -0.023 0.000 1.339 827 A CA -0.634 51.442 52.037 0.064 0.000 0.875 827 A CB 0.766 19.868 19.000 0.169 0.000 1.158 827 A HN 0.388 nan 8.150 nan 0.000 0.514 828 V N 3.551 123.436 119.914 -0.048 0.000 2.465 828 V HA 0.364 4.484 4.120 0.000 0.000 0.279 828 V C -0.401 175.528 176.094 -0.274 0.000 1.045 828 V CA -0.308 61.880 62.300 -0.187 0.000 0.938 828 V CB 0.941 32.652 31.823 -0.187 0.000 0.986 828 V HN 0.695 nan 8.190 nan 0.000 0.467 829 L N 5.753 126.724 121.223 -0.420 0.000 2.333 829 L HA 0.540 4.880 4.340 0.000 0.000 0.280 829 L C -0.775 175.715 176.870 -0.633 0.000 1.004 829 L CA -0.208 54.385 54.840 -0.413 0.000 0.820 829 L CB 1.332 43.287 42.059 -0.173 0.000 1.247 829 L HN 0.488 nan 8.230 nan 0.000 0.416 830 Y N 1.840 121.729 120.300 -0.685 0.000 2.352 830 Y HA 0.439 4.989 4.550 0.000 0.000 0.339 830 Y C 0.388 176.004 175.900 -0.473 0.000 0.992 830 Y CA -0.565 57.094 58.100 -0.734 0.000 1.100 830 Y CB 1.575 39.325 38.460 -1.182 0.000 1.192 830 Y HN 0.505 nan 8.280 nan 0.000 0.458 831 N N 2.770 121.349 118.700 -0.202 0.000 2.707 831 N HA 0.124 4.864 4.740 0.000 0.000 0.235 831 N C -0.828 174.622 175.510 -0.099 0.000 1.028 831 N CA -0.360 52.679 53.050 -0.018 0.000 0.906 831 N CB 0.019 38.519 38.487 0.023 0.000 1.131 831 N HN 0.637 nan 8.380 nan 0.000 0.509 832 Y N 0.877 121.253 120.300 0.126 0.000 2.529 832 Y HA 0.215 4.765 4.550 0.000 0.000 0.290 832 Y C 1.209 177.166 175.900 0.096 0.000 1.177 832 Y CA -0.256 57.914 58.100 0.116 0.000 1.305 832 Y CB 0.318 38.859 38.460 0.136 0.000 1.047 832 Y HN 0.190 nan 8.280 nan 0.000 0.522 833 R N 0.767 121.380 120.500 0.188 0.000 2.679 833 R HA -0.077 4.263 4.340 0.000 0.000 0.268 833 R C 1.142 177.505 176.300 0.106 0.000 1.044 833 R CA 0.234 56.409 56.100 0.125 0.000 1.105 833 R CB 0.908 31.248 30.300 0.066 0.000 0.989 833 R HN 0.280 nan 8.270 nan 0.000 0.447 834 Q N 1.799 121.654 119.800 0.092 0.000 2.061 834 Q HA -0.089 4.251 4.340 0.000 0.000 0.195 834 Q C -0.119 175.918 176.000 0.061 0.000 0.967 834 Q CA 1.738 57.589 55.803 0.081 0.000 0.829 834 Q CB 0.276 29.059 28.738 0.074 0.000 0.900 834 Q HN 0.722 nan 8.270 nan 0.000 0.450 835 N N 0.248 118.980 118.700 0.054 0.000 2.642 835 N HA 0.166 4.906 4.740 0.000 0.000 0.308 835 N C -1.564 173.972 175.510 0.042 0.000 1.914 835 N CA -0.516 52.560 53.050 0.044 0.000 0.893 835 N CB 0.592 39.104 38.487 0.041 0.000 1.322 835 N HN 0.179 nan 8.380 nan 0.000 0.490 836 Q N -0.958 118.866 119.800 0.041 0.000 2.438 836 Q HA 0.181 4.521 4.340 0.000 0.000 0.272 836 Q C -1.524 174.494 176.000 0.030 0.000 0.994 836 Q CA -0.947 54.881 55.803 0.041 0.000 0.887 836 Q CB 1.440 30.212 28.738 0.057 0.000 1.432 836 Q HN 0.370 nan 8.270 nan 0.000 0.392 837 E N 3.340 123.559 120.200 0.032 0.000 2.371 837 E HA 0.487 4.837 4.350 0.000 0.000 0.257 837 E C -0.893 175.723 176.600 0.026 0.000 1.134 837 E CA -0.646 55.769 56.400 0.024 0.000 0.919 837 E CB 1.040 30.755 29.700 0.025 0.000 1.025 837 E HN 0.538 nan 8.360 nan 0.000 0.438 838 L N 1.338 122.565 121.223 0.007 0.000 2.346 838 L HA 0.392 4.732 4.340 0.000 0.000 0.276 838 L C -0.028 176.858 176.870 0.026 0.000 1.006 838 L CA -0.980 53.851 54.840 -0.015 0.000 0.817 838 L CB 1.741 43.721 42.059 -0.132 0.000 1.272 838 L HN 0.592 nan 8.230 nan 0.000 0.421 839 K N 2.747 123.199 120.400 0.086 0.000 2.268 839 K HA 0.483 4.803 4.320 0.000 0.000 0.276 839 K C -1.171 175.510 176.600 0.136 0.000 1.080 839 K CA -0.408 55.961 56.287 0.136 0.000 0.910 839 K CB 0.934 33.546 32.500 0.187 0.000 1.163 839 K HN 0.347 nan 8.250 nan 0.000 0.465 840 V N 4.397 124.348 119.914 0.062 0.000 2.483 840 V HA 0.414 4.534 4.120 0.000 0.000 0.295 840 V C 0.096 176.199 176.094 0.015 0.000 1.035 840 V CA -0.940 61.344 62.300 -0.025 0.000 0.896 840 V CB 1.520 33.344 31.823 0.002 0.000 0.986 840 V HN 0.685 nan 8.190 nan 0.000 0.447 841 R N 2.564 122.995 120.500 -0.115 0.000 2.294 841 R HA 0.708 5.048 4.340 0.000 0.000 0.319 841 R C -1.407 174.863 176.300 -0.049 0.000 0.984 841 R CA -0.218 55.837 56.100 -0.075 0.000 0.861 841 R CB 1.744 31.941 30.300 -0.173 0.000 1.104 841 R HN 0.566 nan 8.270 nan 0.000 0.451 842 V N 3.429 123.340 119.914 -0.004 0.000 2.769 842 V HA 0.544 4.664 4.120 0.000 0.000 0.312 842 V C -1.279 174.830 176.094 0.025 0.000 1.061 842 V CA -0.519 61.801 62.300 0.035 0.000 0.931 842 V CB 2.066 33.935 31.823 0.077 0.000 1.010 842 V HN 0.958 nan 8.190 nan 0.000 0.433 843 E N 4.457 124.668 120.200 0.019 0.000 2.304 843 E HA 0.465 4.815 4.350 0.000 0.000 0.277 843 E C -2.078 174.435 176.600 -0.145 0.000 0.898 843 E CA -0.848 55.531 56.400 -0.036 0.000 0.764 843 E CB 2.067 31.749 29.700 -0.030 0.000 1.216 843 E HN 0.723 nan 8.360 nan 0.000 0.419 844 L N 4.894 125.926 121.223 -0.319 0.000 2.265 844 L HA 0.364 4.704 4.340 0.000 0.000 0.288 844 L C -1.393 175.363 176.870 -0.189 0.000 1.058 844 L CA -0.427 54.113 54.840 -0.500 0.000 0.809 844 L CB 0.736 42.225 42.059 -0.951 0.000 1.179 844 L HN 0.610 nan 8.230 nan 0.000 0.429 845 L N 4.880 126.013 121.223 -0.150 0.000 2.397 845 L HA 0.263 4.603 4.340 0.000 0.000 0.271 845 L C 0.084 176.946 176.870 -0.014 0.000 1.148 845 L CA 0.107 54.920 54.840 -0.044 0.000 0.825 845 L CB 0.490 42.528 42.059 -0.034 0.000 1.117 845 L HN 0.685 nan 8.230 nan 0.000 0.456 846 H N 3.388 122.441 119.070 -0.029 0.000 2.871 846 H HA 0.247 4.803 4.556 0.000 0.000 0.355 846 H C -0.340 175.001 175.328 0.022 0.000 1.092 846 H CA 0.524 56.570 56.048 -0.003 0.000 1.420 846 H CB 0.431 30.195 29.762 0.004 0.000 1.400 846 H HN 0.576 nan 8.280 nan 0.000 0.604 847 N N 4.247 122.570 118.700 -0.627 0.000 2.503 847 N HA 0.159 4.899 4.740 0.000 0.000 0.287 847 N C -2.485 172.790 175.510 -0.391 0.000 1.096 847 N CA -1.877 50.994 53.050 -0.298 0.000 0.936 847 N CB 1.925 40.450 38.487 0.062 0.000 1.570 847 N HN 0.366 nan 8.380 nan 0.000 0.504 848 P HA 0.026 nan 4.420 nan 0.000 0.222 848 P C 0.865 178.102 177.300 -0.106 0.000 1.147 848 P CA 0.823 63.866 63.100 -0.095 0.000 0.790 848 P CB 0.297 32.019 31.700 0.037 0.000 0.780 849 A N -1.973 120.763 122.820 -0.140 0.000 2.067 849 A HA -0.015 4.305 4.320 0.000 0.000 0.219 849 A C 0.714 177.950 177.584 -0.581 0.000 1.158 849 A CA 1.054 52.879 52.037 -0.353 0.000 0.661 849 A CB -0.890 17.836 19.000 -0.456 0.000 0.801 849 A HN 0.100 nan 8.150 nan 0.000 0.452 850 F N -2.861 117.013 119.950 -0.127 0.000 2.575 850 F HA 0.546 5.073 4.527 0.000 0.000 0.330 850 F C 0.171 175.898 175.800 -0.122 0.000 1.056 850 F CA -1.256 56.676 58.000 -0.113 0.000 0.964 850 F CB 1.159 40.090 39.000 -0.114 0.000 1.258 850 F HN -0.100 nan 8.300 nan 0.000 0.484 851 c N 2.304 120.971 118.600 0.113 0.000 2.319 851 c HA 0.838 5.408 4.570 0.000 0.000 0.323 851 c C -0.414 173.685 174.090 0.014 0.000 1.277 851 c CA -0.149 56.197 56.329 0.028 0.000 1.517 851 c CB -0.863 41.642 42.510 -0.009 0.000 2.206 851 c HN 0.868 nan 8.230 nan 0.000 0.486 852 S N 5.259 120.955 115.700 -0.007 0.000 2.656 852 S HA 0.455 4.925 4.470 0.000 0.000 0.273 852 S C 0.446 175.004 174.600 -0.070 0.000 1.168 852 S CA -0.823 57.351 58.200 -0.044 0.000 0.817 852 S CB 0.661 63.842 63.200 -0.031 0.000 1.146 852 S HN 0.645 nan 8.310 nan 0.000 0.475 853 L N 0.647 121.764 121.223 -0.177 0.000 2.261 853 L HA 0.068 4.408 4.340 0.000 0.000 0.216 853 L C 1.601 178.408 176.870 -0.105 0.000 1.114 853 L CA 1.238 55.941 54.840 -0.228 0.000 0.777 853 L CB -1.099 40.657 42.059 -0.505 0.000 0.910 853 L HN 0.845 nan 8.230 nan 0.000 0.440 854 A N 1.063 123.875 122.820 -0.014 0.000 2.438 854 A HA 0.333 4.653 4.320 0.000 0.000 0.280 854 A C 0.684 178.381 177.584 0.187 0.000 1.160 854 A CA 0.088 52.192 52.037 0.111 0.000 0.821 854 A CB -0.277 18.800 19.000 0.130 0.000 1.101 854 A HN 0.370 nan 8.150 nan 0.000 0.515 855 T N -0.877 113.738 114.554 0.101 0.000 2.938 855 T HA 0.394 4.744 4.350 0.000 0.000 0.285 855 T C 1.185 175.750 174.700 -0.226 0.000 1.028 855 T CA 0.306 62.423 62.100 0.028 0.000 1.005 855 T CB 1.263 70.116 68.868 -0.025 0.000 1.157 855 T HN 0.421 nan 8.240 nan 0.000 0.550 856 T N -0.387 113.887 114.554 -0.467 0.000 2.803 856 T HA -0.026 4.324 4.350 0.000 0.000 0.269 856 T C 1.234 175.796 174.700 -0.229 0.000 1.052 856 T CA 1.310 63.108 62.100 -0.503 0.000 1.136 856 T CB -0.458 68.173 68.868 -0.395 0.000 0.864 856 T HN 0.656 nan 8.240 nan 0.000 0.467 857 K N -0.006 120.302 120.400 -0.154 0.000 2.402 857 K HA 0.254 4.574 4.320 0.000 0.000 0.204 857 K C 0.486 177.046 176.600 -0.067 0.000 1.056 857 K CA -0.249 55.978 56.287 -0.100 0.000 1.069 857 K CB 1.130 33.572 32.500 -0.097 0.000 0.888 857 K HN 0.131 nan 8.250 nan 0.000 0.546 858 R N 1.513 121.980 120.500 -0.055 0.000 2.514 858 R HA 0.262 4.602 4.340 0.000 0.000 0.296 858 R C -1.009 175.300 176.300 0.014 0.000 1.012 858 R CA -0.539 55.550 56.100 -0.018 0.000 0.897 858 R CB 1.253 31.545 30.300 -0.014 0.000 1.184 858 R HN -0.051 nan 8.270 nan 0.000 0.440 859 R N 1.977 122.495 120.500 0.030 0.000 2.582 859 R HA 0.088 4.428 4.340 0.000 0.000 0.271 859 R C -0.169 176.210 176.300 0.132 0.000 1.078 859 R CA -0.294 55.844 56.100 0.063 0.000 1.127 859 R CB 0.717 31.040 30.300 0.038 0.000 1.038 859 R HN 0.555 nan 8.270 nan 0.000 0.500 860 H N 2.998 122.084 119.070 0.026 0.000 2.700 860 H HA 0.133 4.689 4.556 0.000 0.000 0.269 860 H C -1.060 174.318 175.328 0.083 0.000 1.222 860 H CA -0.665 55.417 56.048 0.057 0.000 1.254 860 H CB 0.536 30.344 29.762 0.076 0.000 1.413 860 H HN 0.530 nan 8.280 nan 0.000 0.507 861 Q N 3.716 123.524 119.800 0.013 0.000 2.304 861 Q HA 0.369 4.709 4.340 0.000 0.000 0.270 861 Q C -1.279 174.678 176.000 -0.071 0.000 1.035 861 Q CA -1.137 54.635 55.803 -0.052 0.000 0.781 861 Q CB 2.523 31.255 28.738 -0.010 0.000 1.261 861 Q HN 0.470 nan 8.270 nan 0.000 0.444 862 Q N 0.600 120.338 119.800 -0.104 0.000 2.248 862 Q HA 0.591 4.931 4.340 0.000 0.000 0.263 862 Q C -0.807 175.153 176.000 -0.067 0.000 1.007 862 Q CA -0.618 55.114 55.803 -0.118 0.000 0.877 862 Q CB 2.110 30.756 28.738 -0.153 0.000 1.315 862 Q HN 0.568 nan 8.270 nan 0.000 0.454 863 T N 1.333 115.841 114.554 -0.076 0.000 2.821 863 T HA 0.487 4.837 4.350 0.000 0.000 0.307 863 T C -0.426 174.276 174.700 0.004 0.000 1.034 863 T CA -0.609 61.500 62.100 0.015 0.000 0.953 863 T CB 0.215 69.135 68.868 0.087 0.000 0.968 863 T HN 0.465 nan 8.240 nan 0.000 0.462 864 V N 1.826 121.753 119.914 0.023 0.000 3.109 864 V HA 0.829 4.949 4.120 0.000 0.000 0.317 864 V C -0.012 176.115 176.094 0.055 0.000 1.074 864 V CA -0.596 61.722 62.300 0.029 0.000 1.033 864 V CB 1.762 33.587 31.823 0.003 0.000 1.111 864 V HN 0.655 nan 8.190 nan 0.000 0.458 865 T N 3.687 118.269 114.554 0.046 0.000 2.934 865 T HA 0.555 4.905 4.350 0.000 0.000 0.328 865 T C -0.261 174.449 174.700 0.016 0.000 1.068 865 T CA -0.039 62.087 62.100 0.043 0.000 1.018 865 T CB 0.209 69.108 68.868 0.051 0.000 1.009 865 T HN 0.604 nan 8.240 nan 0.000 0.471 866 I N 5.650 126.227 120.570 0.012 0.000 2.352 866 I HA 0.277 4.447 4.170 0.000 0.000 0.290 866 I C -2.046 174.065 176.117 -0.010 0.000 1.036 866 I CA -2.409 58.885 61.300 -0.010 0.000 1.336 866 I CB 0.919 38.917 38.000 -0.003 0.000 1.407 866 I HN 0.261 nan 8.210 nan 0.000 0.497 867 P HA 0.159 nan 4.420 nan 0.000 0.271 867 P C -2.535 174.759 177.300 -0.009 0.000 1.244 867 P CA -1.201 61.892 63.100 -0.012 0.000 0.793 867 P CB -0.354 31.333 31.700 -0.021 0.000 0.984 868 P HA 0.039 nan 4.420 nan 0.000 0.271 868 P C -0.347 176.967 177.300 0.023 0.000 1.218 868 P CA 0.087 63.200 63.100 0.021 0.000 0.780 868 P CB 0.041 31.762 31.700 0.035 0.000 0.901 869 K N -0.449 119.971 120.400 0.033 0.000 3.278 869 K HA -0.122 4.198 4.320 0.000 0.000 0.270 869 K C -0.144 176.455 176.600 -0.002 0.000 0.955 869 K CA 0.977 57.296 56.287 0.053 0.000 0.723 869 K CB -2.070 30.503 32.500 0.122 0.000 1.382 869 K HN 0.810 nan 8.250 nan 0.000 0.461 870 S N -2.037 113.604 115.700 -0.099 0.000 2.615 870 S HA 0.704 5.174 4.470 0.000 0.000 0.269 870 S C -0.453 174.028 174.600 -0.198 0.000 1.161 870 S CA -0.342 57.812 58.200 -0.078 0.000 0.817 870 S CB 2.528 65.726 63.200 -0.003 0.000 1.131 870 S HN 0.339 nan 8.310 nan 0.000 0.467 871 S N 0.239 115.820 115.700 -0.199 0.000 2.709 871 S HA 0.917 5.387 4.470 0.000 0.000 0.302 871 S C -1.084 173.353 174.600 -0.271 0.000 1.127 871 S CA -0.841 57.107 58.200 -0.420 0.000 0.905 871 S CB 1.480 64.201 63.200 -0.798 0.000 1.151 871 S HN 1.277 nan 8.310 nan 0.000 0.510 872 L N 0.154 121.176 121.223 -0.335 0.000 2.506 872 L HA 0.672 5.012 4.340 0.000 0.000 0.257 872 L C -1.331 175.414 176.870 -0.207 0.000 0.964 872 L CA -0.274 54.449 54.840 -0.195 0.000 0.836 872 L CB 2.315 44.291 42.059 -0.137 0.000 1.384 872 L HN 0.839 nan 8.230 nan 0.000 0.410 873 S N 1.712 117.329 115.700 -0.138 0.000 2.454 873 S HA 0.669 5.139 4.470 0.000 0.000 0.306 873 S C -0.911 173.612 174.600 -0.127 0.000 1.100 873 S CA -0.465 57.660 58.200 -0.125 0.000 1.087 873 S CB 1.753 64.899 63.200 -0.091 0.000 1.019 873 S HN 0.323 nan 8.310 nan 0.000 0.480 874 V N 6.203 126.025 119.914 -0.154 0.000 2.378 874 V HA 0.418 4.538 4.120 0.000 0.000 0.288 874 V C -2.391 173.498 176.094 -0.341 0.000 1.016 874 V CA -2.021 60.119 62.300 -0.266 0.000 0.840 874 V CB 1.333 32.980 31.823 -0.294 0.000 0.994 874 V HN 0.626 nan 8.190 nan 0.000 0.431 875 P HA 0.476 nan 4.420 nan 0.000 0.286 875 P C -1.548 175.527 177.300 -0.375 0.000 1.261 875 P CA -0.510 62.456 63.100 -0.222 0.000 0.821 875 P CB 0.643 32.283 31.700 -0.101 0.000 1.013 876 Y N 0.526 120.853 120.300 0.045 0.000 2.329 876 Y HA 0.309 4.859 4.550 0.000 0.000 0.328 876 Y C 0.149 176.081 175.900 0.054 0.000 0.992 876 Y CA -1.133 57.009 58.100 0.071 0.000 1.151 876 Y CB 1.708 40.189 38.460 0.035 0.000 1.150 876 Y HN 0.161 nan 8.280 nan 0.000 0.450 877 V N 4.538 124.567 119.914 0.192 0.000 2.498 877 V HA 0.780 4.900 4.120 0.000 0.000 0.279 877 V C -0.166 175.942 176.094 0.023 0.000 1.048 877 V CA -0.479 61.871 62.300 0.084 0.000 0.967 877 V CB 0.648 32.461 31.823 -0.017 0.000 0.988 877 V HN 0.680 nan 8.190 nan 0.000 0.473 878 I N 2.592 123.165 120.570 0.005 0.000 2.994 878 I HA 0.874 5.044 4.170 0.000 0.000 0.306 878 I C -1.314 174.828 176.117 0.041 0.000 1.195 878 I CA -1.121 60.187 61.300 0.014 0.000 1.001 878 I CB 2.599 40.590 38.000 -0.015 0.000 1.244 878 I HN 0.393 nan 8.210 nan 0.000 0.437 879 V N 3.511 123.477 119.914 0.088 0.000 2.409 879 V HA 0.447 4.567 4.120 0.000 0.000 0.290 879 V C -2.460 173.701 176.094 0.113 0.000 1.017 879 V CA -1.549 60.792 62.300 0.068 0.000 0.841 879 V CB 1.403 33.217 31.823 -0.014 0.000 1.003 879 V HN 0.642 nan 8.190 nan 0.000 0.426 880 P HA 0.312 nan 4.420 nan 0.000 0.271 880 P C 0.315 177.520 177.300 -0.158 0.000 1.216 880 P CA 0.133 63.159 63.100 -0.124 0.000 0.771 880 P CB 0.911 32.576 31.700 -0.059 0.000 0.864 881 L N 0.817 121.884 121.223 -0.260 0.000 2.803 881 L HA 0.313 4.653 4.340 0.000 0.000 0.246 881 L C 0.852 177.625 176.870 -0.161 0.000 1.100 881 L CA 0.258 55.003 54.840 -0.158 0.000 0.919 881 L CB 0.065 42.051 42.059 -0.122 0.000 1.285 881 L HN 0.250 nan 8.230 nan 0.000 0.522 882 K N 0.833 121.086 120.400 -0.244 0.000 2.274 882 K HA 0.335 4.655 4.320 0.000 0.000 0.262 882 K C -0.216 176.272 176.600 -0.187 0.000 0.961 882 K CA -0.234 55.938 56.287 -0.190 0.000 0.833 882 K CB 2.049 34.429 32.500 -0.200 0.000 1.102 882 K HN -0.244 nan 8.250 nan 0.000 0.436 883 T N 1.836 116.312 114.554 -0.129 0.000 2.898 883 T HA 0.555 4.905 4.350 0.000 0.000 0.301 883 T C 0.286 174.927 174.700 -0.100 0.000 1.049 883 T CA 1.073 63.106 62.100 -0.112 0.000 1.095 883 T CB 0.368 69.177 68.868 -0.099 0.000 0.976 883 T HN 0.870 nan 8.240 nan 0.000 0.539 884 G N 2.102 110.850 108.800 -0.086 0.000 2.409 884 G HA2 -0.014 3.946 3.960 0.000 0.000 0.421 884 G HA3 -0.014 3.946 3.960 0.000 0.000 0.421 884 G C -1.032 173.831 174.900 -0.061 0.000 1.259 884 G CA -0.448 44.612 45.100 -0.066 0.000 1.011 884 G HN 0.985 nan 8.290 nan 0.000 0.497 885 L N 1.280 122.476 121.223 -0.044 0.000 2.456 885 L HA 0.525 4.865 4.340 0.000 0.000 0.277 885 L C 0.475 177.340 176.870 -0.008 0.000 1.124 885 L CA 0.270 55.092 54.840 -0.030 0.000 0.880 885 L CB 0.419 42.465 42.059 -0.022 0.000 1.192 885 L HN 0.613 nan 8.230 nan 0.000 0.463 886 Q N 4.047 123.865 119.800 0.030 0.000 2.495 886 Q HA 0.547 4.887 4.340 0.000 0.000 0.283 886 Q C -1.013 175.099 176.000 0.187 0.000 1.097 886 Q CA -0.707 55.160 55.803 0.106 0.000 0.836 886 Q CB 1.960 30.742 28.738 0.075 0.000 1.426 886 Q HN 0.540 nan 8.270 nan 0.000 0.459 887 E N 0.500 120.855 120.200 0.260 0.000 2.234 887 E HA 0.505 4.855 4.350 0.000 0.000 0.266 887 E C -1.217 175.386 176.600 0.005 0.000 0.877 887 E CA -0.553 55.920 56.400 0.121 0.000 0.758 887 E CB 2.451 32.199 29.700 0.079 0.000 1.170 887 E HN 0.160 nan 8.360 nan 0.000 0.415 888 V N 2.749 122.582 119.914 -0.135 0.000 2.459 888 V HA 0.358 4.478 4.120 0.000 0.000 0.295 888 V C -0.307 175.697 176.094 -0.150 0.000 1.029 888 V CA -0.571 61.557 62.300 -0.286 0.000 0.874 888 V CB 1.692 33.294 31.823 -0.368 0.000 0.985 888 V HN 0.675 nan 8.190 nan 0.000 0.438 889 E N 3.340 123.445 120.200 -0.158 0.000 2.260 889 E HA 0.654 5.004 4.350 0.000 0.000 0.266 889 E C -1.836 174.683 176.600 -0.135 0.000 0.887 889 E CA -0.485 55.859 56.400 -0.093 0.000 0.777 889 E CB 2.374 32.046 29.700 -0.046 0.000 1.205 889 E HN 0.560 nan 8.360 nan 0.000 0.414 890 V N 3.708 123.559 119.914 -0.104 0.000 2.680 890 V HA 0.665 4.785 4.120 0.000 0.000 0.309 890 V C -1.485 174.594 176.094 -0.026 0.000 1.052 890 V CA -0.439 61.789 62.300 -0.119 0.000 0.908 890 V CB 1.711 33.444 31.823 -0.149 0.000 1.001 890 V HN 0.703 nan 8.190 nan 0.000 0.431 891 K N 4.186 124.577 120.400 -0.014 0.000 2.385 891 K HA 0.915 5.235 4.320 0.000 0.000 0.248 891 K C -0.958 175.673 176.600 0.052 0.000 0.955 891 K CA -0.478 55.827 56.287 0.029 0.000 0.816 891 K CB 2.338 34.848 32.500 0.017 0.000 1.250 891 K HN 1.018 nan 8.250 nan 0.000 0.434 892 A N 0.933 123.815 122.820 0.102 0.000 2.475 892 A HA 0.868 5.188 4.320 0.000 0.000 0.301 892 A C -1.632 176.017 177.584 0.108 0.000 1.059 892 A CA -0.686 51.432 52.037 0.135 0.000 0.710 892 A CB 1.819 20.990 19.000 0.285 0.000 1.288 892 A HN 0.681 nan 8.150 nan 0.000 0.408 893 A N 0.610 123.415 122.820 -0.024 0.000 2.422 893 A HA 0.720 5.040 4.320 0.000 0.000 0.302 893 A C -0.421 176.985 177.584 -0.297 0.000 1.041 893 A CA -0.090 51.865 52.037 -0.135 0.000 0.708 893 A CB 1.296 20.194 19.000 -0.169 0.000 1.257 893 A HN 2.287 nan 8.150 nan 0.000 0.414 894 V N 1.593 121.295 119.914 -0.352 0.000 2.481 894 V HA 0.669 4.789 4.120 0.000 0.000 0.286 894 V C -0.624 175.302 176.094 -0.279 0.000 1.042 894 V CA -0.586 61.498 62.300 -0.361 0.000 0.928 894 V CB 0.369 31.902 31.823 -0.482 0.000 0.986 894 V HN 0.722 nan 8.190 nan 0.000 0.462 895 Y N 5.312 125.464 120.300 -0.246 0.000 2.457 895 Y HA 0.314 4.864 4.550 0.000 0.000 0.341 895 Y C 1.493 177.144 175.900 -0.416 0.000 1.240 895 Y CA 1.184 58.995 58.100 -0.482 0.000 1.437 895 Y CB 0.233 38.197 38.460 -0.825 0.000 1.328 895 Y HN 0.971 nan 8.280 nan 0.000 0.588 896 H N -0.168 118.926 119.070 0.040 0.000 3.047 896 H HA -0.220 4.336 4.556 0.000 0.000 0.263 896 H C -0.811 174.179 175.328 -0.564 0.000 1.168 896 H CA 1.188 57.105 56.048 -0.217 0.000 1.152 896 H CB -2.348 27.295 29.762 -0.198 0.000 1.278 896 H HN 0.681 nan 8.280 nan 0.000 0.339 897 H N -1.245 117.722 119.070 -0.173 0.000 3.046 897 H HA 0.158 4.714 4.556 0.000 0.000 0.361 897 H C -0.101 175.051 175.328 -0.293 0.000 1.235 897 H CA -0.792 55.122 56.048 -0.222 0.000 1.146 897 H CB 0.652 30.365 29.762 -0.081 0.000 1.859 897 H HN -0.056 nan 8.280 nan 0.000 0.548 898 F N 2.174 122.201 119.950 0.128 0.000 2.668 898 F HA 0.160 4.687 4.527 0.000 0.000 0.365 898 F C 0.379 176.219 175.800 0.068 0.000 1.165 898 F CA 0.192 58.236 58.000 0.073 0.000 1.344 898 F CB -0.332 38.706 39.000 0.064 0.000 1.658 898 F HN 0.123 nan 8.300 nan 0.000 0.620 899 I N 1.153 121.801 120.570 0.130 0.000 2.498 899 I HA 0.436 4.606 4.170 0.000 0.000 0.290 899 I C -0.146 175.987 176.117 0.027 0.000 1.032 899 I CA -0.496 60.848 61.300 0.073 0.000 1.073 899 I CB 1.953 39.918 38.000 -0.058 0.000 1.251 899 I HN 0.239 nan 8.210 nan 0.000 0.426 900 S N 3.915 119.690 115.700 0.125 0.000 2.565 900 S HA 0.775 5.245 4.470 0.000 0.000 0.269 900 S C -1.541 173.219 174.600 0.267 0.000 1.153 900 S CA -0.746 57.547 58.200 0.155 0.000 0.835 900 S CB 3.231 66.484 63.200 0.089 0.000 1.122 900 S HN 0.582 nan 8.310 nan 0.000 0.462 901 D N -1.167 119.409 120.400 0.293 0.000 2.583 901 D HA 0.780 5.420 4.640 0.000 0.000 0.248 901 D C -0.745 175.649 176.300 0.157 0.000 1.209 901 D CA 0.097 54.238 54.000 0.235 0.000 0.848 901 D CB 2.020 42.965 40.800 0.243 0.000 1.431 901 D HN 1.124 nan 8.370 nan 0.000 0.436 902 G N -0.001 108.876 108.800 0.127 0.000 2.750 902 G HA2 0.501 4.461 3.960 0.000 0.000 0.298 902 G HA3 0.501 4.461 3.960 0.000 0.000 0.298 902 G C -1.822 173.150 174.900 0.120 0.000 1.412 902 G CA -0.412 44.747 45.100 0.098 0.000 1.078 902 G HN 0.383 nan 8.290 nan 0.000 0.573 903 V N 2.065 122.047 119.914 0.113 0.000 2.448 903 V HA 0.642 4.762 4.120 0.000 0.000 0.295 903 V C 0.161 176.330 176.094 0.126 0.000 1.025 903 V CA -0.824 61.579 62.300 0.171 0.000 0.859 903 V CB 1.752 33.644 31.823 0.116 0.000 0.988 903 V HN 0.741 nan 8.190 nan 0.000 0.431 904 R N 4.681 125.298 120.500 0.194 0.000 2.352 904 R HA 0.477 4.817 4.340 0.000 0.000 0.304 904 R C -0.515 175.900 176.300 0.193 0.000 1.104 904 R CA -0.460 55.714 56.100 0.124 0.000 0.991 904 R CB 0.665 31.010 30.300 0.075 0.000 1.140 904 R HN 0.652 nan 8.270 nan 0.000 0.540 905 K N 1.202 121.670 120.400 0.114 0.000 2.185 905 K HA 0.477 4.797 4.320 0.000 0.000 0.240 905 K C -0.582 176.050 176.600 0.054 0.000 0.983 905 K CA -0.760 55.590 56.287 0.105 0.000 0.873 905 K CB 2.109 34.613 32.500 0.007 0.000 1.118 905 K HN 0.371 nan 8.250 nan 0.000 0.441 906 S N 0.869 116.602 115.700 0.055 0.000 2.648 906 S HA 0.688 5.158 4.470 0.000 0.000 0.305 906 S C -1.018 173.586 174.600 0.007 0.000 1.094 906 S CA -0.957 57.265 58.200 0.037 0.000 0.983 906 S CB 1.056 64.279 63.200 0.039 0.000 1.101 906 S HN 0.547 nan 8.310 nan 0.000 0.514 907 L N -1.113 120.112 121.223 0.005 0.000 2.518 907 L HA 0.679 5.019 4.340 0.000 0.000 0.257 907 L C -1.703 175.126 176.870 -0.069 0.000 0.980 907 L CA -1.083 53.725 54.840 -0.052 0.000 0.837 907 L CB 1.824 43.873 42.059 -0.016 0.000 1.410 907 L HN 0.396 nan 8.230 nan 0.000 0.410 908 K N 2.112 122.399 120.400 -0.187 0.000 2.267 908 K HA 0.488 4.809 4.320 0.000 0.000 0.282 908 K C -0.811 175.729 176.600 -0.101 0.000 1.078 908 K CA -0.565 55.619 56.287 -0.172 0.000 0.903 908 K CB 1.834 34.154 32.500 -0.300 0.000 1.111 908 K HN 0.411 nan 8.250 nan 0.000 0.475 909 V N 4.387 124.263 119.914 -0.062 0.000 2.461 909 V HA 0.172 4.292 4.120 0.000 0.000 0.275 909 V C 0.064 176.123 176.094 -0.059 0.000 1.047 909 V CA -0.596 61.673 62.300 -0.052 0.000 0.955 909 V CB 1.321 33.090 31.823 -0.090 0.000 0.988 909 V HN 0.430 nan 8.190 nan 0.000 0.471 910 V N 7.280 127.171 119.914 -0.039 0.000 2.769 910 V HA 0.452 4.573 4.120 0.000 0.000 0.312 910 V C -2.240 173.819 176.094 -0.059 0.000 1.061 910 V CA -2.158 60.118 62.300 -0.039 0.000 0.931 910 V CB 2.352 34.185 31.823 0.017 0.000 1.010 910 V HN 0.696 nan 8.190 nan 0.000 0.433 911 P HA 0.013 nan 4.420 nan 0.000 0.270 911 P C 0.343 177.612 177.300 -0.050 0.000 1.216 911 P CA 0.231 63.239 63.100 -0.155 0.000 0.788 911 P CB 0.585 32.037 31.700 -0.414 0.000 0.883 912 E N 0.235 120.416 120.200 -0.031 0.000 2.204 912 E HA -0.043 4.307 4.350 0.000 0.000 0.194 912 E C 1.553 178.178 176.600 0.042 0.000 0.989 912 E CA 1.325 57.731 56.400 0.010 0.000 0.824 912 E CB -0.544 29.160 29.700 0.007 0.000 0.756 912 E HN 0.573 nan 8.360 nan 0.000 0.477 913 G N 0.244 109.090 108.800 0.076 0.000 2.624 913 G HA2 0.475 4.435 3.960 0.000 0.000 0.217 913 G HA3 0.475 4.435 3.960 0.000 0.000 0.217 913 G C -0.436 174.528 174.900 0.107 0.000 1.506 913 G CA -0.473 44.686 45.100 0.099 0.000 1.072 913 G HN 0.176 nan 8.290 nan 0.000 0.568 914 I N -1.153 119.428 120.570 0.018 0.000 2.802 914 I HA 0.450 4.620 4.170 0.000 0.000 0.298 914 I C -0.677 175.251 176.117 -0.315 0.000 1.176 914 I CA -1.138 60.106 61.300 -0.092 0.000 1.025 914 I CB 2.017 39.967 38.000 -0.083 0.000 1.243 914 I HN 0.239 nan 8.210 nan 0.000 0.424 915 R N 7.024 127.346 120.500 -0.296 0.000 2.389 915 R HA 0.488 4.828 4.340 0.000 0.000 0.295 915 R C -0.857 175.283 176.300 -0.267 0.000 1.075 915 R CA -0.284 55.596 56.100 -0.367 0.000 1.005 915 R CB 0.897 31.071 30.300 -0.209 0.000 0.987 915 R HN 0.541 nan 8.270 nan 0.000 0.452 916 M N 1.857 121.287 119.600 -0.284 0.000 2.518 916 M HA 0.270 4.750 4.480 0.000 0.000 0.300 916 M C -0.656 175.619 176.300 -0.042 0.000 1.175 916 M CA -0.978 54.219 55.300 -0.172 0.000 0.890 916 M CB 2.218 34.652 32.600 -0.277 0.000 1.710 916 M HN 0.316 nan 8.290 nan 0.000 0.453 917 N N 1.986 120.689 118.700 0.005 0.000 3.112 917 N HA 0.223 4.963 4.740 0.000 0.000 0.270 917 N C -0.504 175.045 175.510 0.065 0.000 1.385 917 N CA -0.269 52.802 53.050 0.035 0.000 0.986 917 N CB 0.723 39.219 38.487 0.015 0.000 1.261 917 N HN 0.474 nan 8.380 nan 0.000 0.495 918 K N 0.132 120.601 120.400 0.115 0.000 2.258 918 K HA 0.314 4.634 4.320 0.000 0.000 0.264 918 K C -0.538 176.097 176.600 0.059 0.000 1.007 918 K CA 0.161 56.507 56.287 0.098 0.000 0.941 918 K CB 0.556 33.127 32.500 0.117 0.000 0.966 918 K HN 0.078 nan 8.250 nan 0.000 0.480 919 T N 2.645 117.222 114.554 0.038 0.000 2.906 919 T HA 0.183 4.533 4.350 0.000 0.000 0.302 919 T C 0.725 175.434 174.700 0.015 0.000 1.002 919 T CA -0.772 61.346 62.100 0.029 0.000 0.988 919 T CB 1.562 70.445 68.868 0.025 0.000 0.972 919 T HN 0.382 nan 8.240 nan 0.000 0.447 920 V N 1.377 121.299 119.914 0.013 0.000 2.788 920 V HA 0.406 4.526 4.120 0.000 0.000 0.251 920 V C 1.072 177.157 176.094 -0.015 0.000 1.068 920 V CA 1.070 63.365 62.300 -0.008 0.000 1.090 920 V CB -0.554 31.261 31.823 -0.014 0.000 0.710 920 V HN 1.009 nan 8.190 nan 0.000 0.467 921 A N -0.348 122.472 122.820 -0.000 0.000 2.605 921 A HA 0.675 4.995 4.320 0.000 0.000 0.294 921 A C -1.050 176.541 177.584 0.011 0.000 1.062 921 A CA 0.119 52.154 52.037 -0.004 0.000 0.682 921 A CB 1.931 20.919 19.000 -0.020 0.000 1.278 921 A HN 0.758 nan 8.150 nan 0.000 0.410 922 V N -0.180 119.738 119.914 0.008 0.000 2.554 922 V HA 0.513 4.633 4.120 0.000 0.000 0.258 922 V C -0.132 175.968 176.094 0.010 0.000 0.919 922 V CA -0.860 61.447 62.300 0.012 0.000 0.910 922 V CB 0.029 31.859 31.823 0.011 0.000 1.100 922 V HN 0.829 nan 8.190 nan 0.000 0.491 923 R N 0.998 121.505 120.500 0.012 0.000 2.519 923 R HA 0.768 5.108 4.340 0.000 0.000 0.244 923 R C -0.228 176.080 176.300 0.013 0.000 1.241 923 R CA -0.402 55.704 56.100 0.010 0.000 1.120 923 R CB 0.704 31.009 30.300 0.008 0.000 1.333 923 R HN 0.575 nan 8.270 nan 0.000 0.587 924 T N 1.190 115.752 114.554 0.013 0.000 2.928 924 T HA 0.402 4.752 4.350 0.000 0.000 0.296 924 T C -0.241 174.468 174.700 0.016 0.000 1.000 924 T CA -0.633 61.476 62.100 0.015 0.000 0.989 924 T CB 1.323 70.200 68.868 0.014 0.000 1.005 924 T HN 0.201 nan 8.240 nan 0.000 0.442 925 L N 3.474 124.708 121.223 0.018 0.000 2.255 925 L HA 0.564 4.904 4.340 0.000 0.000 0.289 925 L C -0.344 176.537 176.870 0.018 0.000 1.046 925 L CA -0.333 54.518 54.840 0.018 0.000 0.816 925 L CB 0.593 42.664 42.059 0.021 0.000 1.197 925 L HN 0.614 nan 8.230 nan 0.000 0.427 926 D N 5.206 125.616 120.400 0.017 0.000 2.318 926 D HA 0.271 4.911 4.640 0.000 0.000 0.233 926 D C -2.706 173.604 176.300 0.016 0.000 1.348 926 D CA -1.448 52.562 54.000 0.017 0.000 0.983 926 D CB 1.974 42.785 40.800 0.018 0.000 1.416 926 D HN 0.023 nan 8.370 nan 0.000 0.558 927 P HA 0.183 nan 4.420 nan 0.000 0.265 927 P C -0.006 177.304 177.300 0.016 0.000 1.193 927 P CA 0.479 63.589 63.100 0.016 0.000 0.765 927 P CB 0.725 32.434 31.700 0.016 0.000 0.823 928 E N 0.056 120.266 120.200 0.015 0.000 4.216 928 E HA -0.195 4.156 4.350 0.000 0.000 0.149 928 E C 0.170 176.779 176.600 0.015 0.000 0.900 928 E CA 0.596 57.005 56.400 0.016 0.000 2.729 928 E CB -1.295 28.415 29.700 0.018 0.000 1.510 928 E HN 0.443 nan 8.360 nan 0.000 0.639 929 R N 1.611 122.120 120.500 0.015 0.000 3.247 929 R HA 0.289 4.629 4.340 0.000 0.000 0.212 929 R C 0.507 176.814 176.300 0.012 0.000 1.604 929 R CA 0.559 56.668 56.100 0.014 0.000 1.279 929 R CB -0.292 30.017 30.300 0.015 0.000 1.277 929 R HN 0.301 nan 8.270 nan 0.000 0.669 930 L N -0.229 121.001 121.223 0.011 0.000 5.144 930 L HA -0.322 4.018 4.340 0.000 0.000 0.440 930 L C 1.630 178.506 176.870 0.009 0.000 1.049 930 L CA 1.167 56.013 54.840 0.009 0.000 1.070 930 L CB -0.788 41.275 42.059 0.008 0.000 1.866 930 L HN 0.751 nan 8.230 nan 0.000 0.743 931 G N -0.514 108.293 108.800 0.011 0.000 2.534 931 G HA2 0.027 3.987 3.960 0.000 0.000 0.217 931 G HA3 0.027 3.987 3.960 0.000 0.000 0.217 931 G C 0.657 175.564 174.900 0.011 0.000 1.128 931 G CA 0.743 45.850 45.100 0.011 0.000 0.784 931 G HN 0.435 nan 8.290 nan 0.000 0.542 932 R N -1.820 118.687 120.500 0.012 0.000 4.015 932 R HA -0.144 4.197 4.340 0.000 0.000 0.436 932 R C 0.817 177.125 176.300 0.013 0.000 0.243 932 R CA 0.705 56.812 56.100 0.011 0.000 1.380 932 R CB -0.977 29.328 30.300 0.009 0.000 1.148 932 R HN 0.438 nan 8.270 nan 0.000 0.490 933 E N 0.399 120.607 120.200 0.013 0.000 2.110 933 E HA -0.073 4.277 4.350 0.000 0.000 0.193 933 E C 1.109 177.717 176.600 0.013 0.000 0.988 933 E CA 1.260 57.668 56.400 0.014 0.000 0.804 933 E CB -0.038 29.670 29.700 0.013 0.000 0.745 933 E HN 0.542 nan 8.360 nan 0.000 0.458 934 G N 2.107 110.914 108.800 0.012 0.000 2.361 934 G HA2 0.284 4.244 3.960 0.000 0.000 0.260 934 G HA3 0.284 4.244 3.960 0.000 0.000 0.260 934 G C 0.370 175.278 174.900 0.012 0.000 1.261 934 G CA -0.452 44.655 45.100 0.011 0.000 0.897 934 G HN 0.077 nan 8.290 nan 0.000 0.499 935 V N 1.444 121.366 119.914 0.013 0.000 3.032 935 V HA 0.180 4.300 4.120 0.000 0.000 0.307 935 V C 0.674 176.776 176.094 0.014 0.000 1.097 935 V CA -0.723 61.586 62.300 0.014 0.000 1.191 935 V CB 0.545 32.377 31.823 0.015 0.000 0.964 935 V HN 0.829 nan 8.190 nan 0.000 0.494 936 Q N 2.840 122.649 119.800 0.015 0.000 2.361 936 Q HA 0.264 4.605 4.340 0.000 0.000 0.276 936 Q C -0.080 175.930 176.000 0.017 0.000 1.022 936 Q CA 0.056 55.868 55.803 0.015 0.000 0.898 936 Q CB 0.521 29.268 28.738 0.016 0.000 1.246 936 Q HN 0.954 nan 8.270 nan 0.000 0.410 937 K N 1.654 122.062 120.400 0.014 0.000 2.443 937 K HA 0.501 4.821 4.320 0.000 0.000 0.252 937 K C -1.327 175.278 176.600 0.008 0.000 0.933 937 K CA -0.885 55.410 56.287 0.014 0.000 0.792 937 K CB 1.905 34.411 32.500 0.010 0.000 1.185 937 K HN 0.328 nan 8.250 nan 0.000 0.425 938 E N 2.346 122.553 120.200 0.011 0.000 2.460 938 E HA 0.202 4.552 4.350 0.000 0.000 0.249 938 E C -1.584 175.000 176.600 -0.027 0.000 0.962 938 E CA -0.412 55.986 56.400 -0.002 0.000 0.787 938 E CB 0.952 30.660 29.700 0.013 0.000 1.341 938 E HN 0.527 nan 8.360 nan 0.000 0.407 939 D N 3.257 123.623 120.400 -0.056 0.000 2.348 939 D HA 0.254 4.894 4.640 0.000 0.000 0.253 939 D C -0.044 176.144 176.300 -0.186 0.000 1.161 939 D CA 0.195 54.127 54.000 -0.113 0.000 0.876 939 D CB 0.702 41.450 40.800 -0.087 0.000 1.160 939 D HN 0.417 nan 8.370 nan 0.000 0.459 940 I N 4.431 124.781 120.570 -0.367 0.000 2.406 940 I HA 0.299 4.469 4.170 0.000 0.000 0.290 940 I C -2.113 173.701 176.117 -0.505 0.000 0.999 940 I CA -2.046 58.984 61.300 -0.450 0.000 1.124 940 I CB 2.061 39.701 38.000 -0.600 0.000 1.289 940 I HN 0.111 nan 8.210 nan 0.000 0.441 941 P HA 0.436 nan 4.420 nan 0.000 0.279 941 P C -2.694 174.509 177.300 -0.163 0.000 1.276 941 P CA -1.890 61.090 63.100 -0.201 0.000 0.801 941 P CB -0.274 31.353 31.700 -0.122 0.000 1.127 942 P HA 0.176 nan 4.420 nan 0.000 0.272 942 P C -0.260 177.012 177.300 -0.048 0.000 1.240 942 P CA -0.082 62.992 63.100 -0.043 0.000 0.791 942 P CB 0.062 31.743 31.700 -0.032 0.000 0.978 943 A N 0.761 123.557 122.820 -0.040 0.000 2.267 943 A HA 0.133 4.453 4.320 0.000 0.000 0.271 943 A C 1.346 178.867 177.584 -0.105 0.000 1.131 943 A CA 0.322 52.317 52.037 -0.070 0.000 0.818 943 A CB -0.508 18.442 19.000 -0.083 0.000 1.118 943 A HN 0.592 nan 8.150 nan 0.000 0.501 944 D N -1.057 119.256 120.400 -0.144 0.000 2.087 944 D HA -0.092 4.548 4.640 0.000 0.000 0.210 944 D C 0.721 176.907 176.300 -0.191 0.000 0.973 944 D CA 1.932 55.842 54.000 -0.150 0.000 0.882 944 D CB -0.349 40.364 40.800 -0.145 0.000 1.019 944 D HN 0.573 nan 8.370 nan 0.000 0.450 945 L N -0.450 120.569 121.223 -0.339 0.000 3.717 945 L HA -0.222 4.118 4.340 0.000 0.000 0.414 945 L C 0.863 177.646 176.870 -0.145 0.000 1.228 945 L CA 0.375 55.012 54.840 -0.338 0.000 0.918 945 L CB -2.469 39.431 42.059 -0.265 0.000 1.865 945 L HN 0.267 nan 8.230 nan 0.000 0.922 946 S N -2.332 113.307 115.700 -0.102 0.000 2.524 946 S HA 0.052 4.522 4.470 0.000 0.000 0.215 946 S C 1.040 175.639 174.600 -0.002 0.000 0.986 946 S CA 0.197 58.373 58.200 -0.041 0.000 0.911 946 S CB 0.256 63.436 63.200 -0.034 0.000 0.805 946 S HN 0.641 nan 8.310 nan 0.000 0.501 947 D N 0.611 121.023 120.400 0.021 0.000 2.462 947 D HA 0.071 4.711 4.640 0.000 0.000 0.221 947 D C 0.374 176.798 176.300 0.208 0.000 1.173 947 D CA -0.331 53.728 54.000 0.098 0.000 0.831 947 D CB -0.276 40.593 40.800 0.116 0.000 1.001 947 D HN 0.500 nan 8.370 nan 0.000 0.499 948 Q N 1.009 120.924 119.800 0.192 0.000 2.373 948 Q HA 0.214 4.554 4.340 0.000 0.000 0.255 948 Q C -0.460 175.645 176.000 0.175 0.000 0.980 948 Q CA -0.451 55.541 55.803 0.314 0.000 0.882 948 Q CB 1.500 30.373 28.738 0.225 0.000 1.249 948 Q HN -0.065 nan 8.270 nan 0.000 0.438 949 V N 6.547 126.562 119.914 0.169 0.000 2.521 949 V HA 0.144 4.264 4.120 0.000 0.000 0.286 949 V C -1.984 174.141 176.094 0.053 0.000 1.034 949 V CA -1.130 61.220 62.300 0.083 0.000 1.045 949 V CB 0.590 32.449 31.823 0.060 0.000 0.974 949 V HN 0.833 nan 8.190 nan 0.000 0.480 950 P HA 0.165 nan 4.420 nan 0.000 0.272 950 P C 0.079 177.366 177.300 -0.021 0.000 1.240 950 P CA -0.075 63.024 63.100 -0.003 0.000 0.791 950 P CB 0.222 31.909 31.700 -0.022 0.000 0.978 951 D N -1.573 118.811 120.400 -0.027 0.000 2.699 951 D HA -0.135 4.505 4.640 0.000 0.000 0.239 951 D C -0.895 175.374 176.300 -0.052 0.000 1.136 951 D CA 1.475 55.452 54.000 -0.040 0.000 0.668 951 D CB -1.462 39.309 40.800 -0.049 0.000 1.060 951 D HN 0.554 nan 8.370 nan 0.000 0.429 952 T N -2.070 112.465 114.554 -0.032 0.000 2.909 952 T HA 0.613 4.963 4.350 0.000 0.000 0.299 952 T C -0.100 174.608 174.700 0.013 0.000 1.073 952 T CA -0.871 61.201 62.100 -0.047 0.000 0.999 952 T CB 1.872 70.712 68.868 -0.047 0.000 1.098 952 T HN 0.215 nan 8.240 nan 0.000 0.477 953 E N 1.128 121.340 120.200 0.020 0.000 2.383 953 E HA 0.484 4.834 4.350 0.000 0.000 0.264 953 E C -0.320 176.359 176.600 0.132 0.000 1.050 953 E CA -0.640 55.798 56.400 0.063 0.000 0.896 953 E CB 0.613 30.346 29.700 0.055 0.000 0.982 953 E HN 0.740 nan 8.360 nan 0.000 0.424 954 S N 1.333 117.099 115.700 0.110 0.000 2.389 954 S HA 0.195 4.665 4.470 0.000 0.000 0.201 954 S C -0.555 174.101 174.600 0.093 0.000 1.422 954 S CA -0.952 57.327 58.200 0.131 0.000 1.216 954 S CB 0.260 63.525 63.200 0.108 0.000 1.130 954 S HN 0.662 nan 8.310 nan 0.000 0.465 955 E N 2.424 122.680 120.200 0.094 0.000 2.104 955 E HA 0.119 4.469 4.350 0.000 0.000 0.278 955 E C -0.641 175.997 176.600 0.062 0.000 1.127 955 E CA -0.104 56.335 56.400 0.064 0.000 0.897 955 E CB 0.230 29.965 29.700 0.057 0.000 1.043 955 E HN 0.509 nan 8.360 nan 0.000 0.410 956 T N 6.170 120.756 114.554 0.054 0.000 2.978 956 T HA 0.078 4.428 4.350 0.000 0.000 0.278 956 T C 0.084 174.801 174.700 0.029 0.000 0.945 956 T CA -0.079 62.059 62.100 0.064 0.000 1.070 956 T CB -0.094 68.832 68.868 0.097 0.000 0.948 956 T HN 0.340 nan 8.240 nan 0.000 0.617 957 R N 3.542 124.064 120.500 0.037 0.000 2.404 957 R HA 0.573 4.913 4.340 0.000 0.000 0.291 957 R C -0.520 175.792 176.300 0.020 0.000 1.025 957 R CA -0.558 55.551 56.100 0.015 0.000 0.991 957 R CB 0.652 30.965 30.300 0.022 0.000 1.053 957 R HN 0.520 nan 8.270 nan 0.000 0.479 958 I N 4.276 124.840 120.570 -0.009 0.000 2.603 958 I HA 0.405 4.575 4.170 0.000 0.000 0.300 958 I C -0.671 175.445 176.117 -0.002 0.000 1.017 958 I CA -1.034 60.267 61.300 0.003 0.000 1.098 958 I CB 2.069 40.041 38.000 -0.048 0.000 1.279 958 I HN 0.452 nan 8.210 nan 0.000 0.437 959 L N 6.314 127.540 121.223 0.006 0.000 2.404 959 L HA 0.520 4.860 4.340 0.000 0.000 0.272 959 L C -1.587 175.268 176.870 -0.025 0.000 0.980 959 L CA -0.399 54.431 54.840 -0.016 0.000 0.836 959 L CB 1.291 43.346 42.059 -0.006 0.000 1.238 959 L HN 0.542 nan 8.230 nan 0.000 0.408 960 L N 5.408 126.589 121.223 -0.070 0.000 2.335 960 L HA 0.431 4.771 4.340 0.000 0.000 0.268 960 L C 0.175 176.990 176.870 -0.092 0.000 1.037 960 L CA -0.046 54.745 54.840 -0.082 0.000 0.895 960 L CB 1.470 43.446 42.059 -0.138 0.000 1.266 960 L HN 0.732 nan 8.230 nan 0.000 0.439 961 Q N 1.228 120.997 119.800 -0.052 0.000 2.177 961 Q HA 0.558 4.898 4.340 0.000 0.000 0.183 961 Q C 0.379 176.357 176.000 -0.036 0.000 1.040 961 Q CA -0.118 55.657 55.803 -0.046 0.000 1.089 961 Q CB 1.432 30.154 28.738 -0.026 0.000 1.130 961 Q HN 0.625 nan 8.270 nan 0.000 0.575 962 G N 0.892 109.678 108.800 -0.023 0.000 4.775 962 G HA2 0.085 4.045 3.960 0.000 0.000 0.222 962 G HA3 0.085 4.045 3.960 0.000 0.000 0.222 962 G C -0.821 174.095 174.900 0.026 0.000 0.974 962 G CA -0.297 44.803 45.100 0.001 0.000 0.614 962 G HN 0.570 nan 8.290 nan 0.000 0.427 963 T N 1.401 115.972 114.554 0.028 0.000 2.736 963 T HA 0.438 4.788 4.350 0.000 0.000 0.275 963 T C -2.048 172.704 174.700 0.087 0.000 0.962 963 T CA -0.803 61.325 62.100 0.047 0.000 1.214 963 T CB 1.361 70.250 68.868 0.035 0.000 0.904 963 T HN 0.240 nan 8.240 nan 0.000 0.529 964 P HA 0.717 nan 4.420 nan 0.000 0.286 964 P C -0.981 176.426 177.300 0.179 0.000 1.292 964 P CA -0.940 62.289 63.100 0.215 0.000 0.842 964 P CB 1.325 33.310 31.700 0.474 0.000 1.207 965 V N -1.033 118.957 119.914 0.127 0.000 3.049 965 V HA 0.729 4.849 4.120 0.000 0.000 0.309 965 V C -0.637 175.459 176.094 0.003 0.000 1.148 965 V CA -0.948 61.398 62.300 0.078 0.000 0.990 965 V CB 1.950 33.801 31.823 0.047 0.000 1.039 965 V HN 0.760 nan 8.190 nan 0.000 0.430 966 A N 2.556 125.372 122.820 -0.007 0.000 2.310 966 A HA 0.818 5.138 4.320 0.000 0.000 0.304 966 A C -0.547 176.998 177.584 -0.064 0.000 1.231 966 A CA -0.381 51.605 52.037 -0.085 0.000 0.799 966 A CB 0.927 19.896 19.000 -0.052 0.000 1.162 966 A HN 1.063 nan 8.150 nan 0.000 0.486 967 Q N 0.198 119.941 119.800 -0.094 0.000 2.873 967 Q HA -0.128 4.212 4.340 0.000 0.000 0.029 967 Q C -0.134 175.849 176.000 -0.028 0.000 1.603 967 Q CA 0.908 56.663 55.803 -0.079 0.000 0.223 967 Q CB -0.310 28.372 28.738 -0.094 0.000 2.716 967 Q HN 0.749 nan 8.270 nan 0.000 0.315 968 M N 0.781 120.374 119.600 -0.012 0.000 2.875 968 M HA 0.131 4.611 4.480 0.000 0.000 0.403 968 M C -0.763 175.587 176.300 0.083 0.000 1.304 968 M CA 0.107 55.429 55.300 0.036 0.000 0.854 968 M CB 0.426 33.053 32.600 0.045 0.000 1.415 968 M HN 0.631 nan 8.290 nan 0.000 0.505 969 T N 2.378 116.966 114.554 0.056 0.000 2.761 969 T HA 0.081 4.431 4.350 0.000 0.000 0.287 969 T C 0.593 175.400 174.700 0.178 0.000 0.931 969 T CA 0.240 62.408 62.100 0.114 0.000 1.164 969 T CB 0.328 69.190 68.868 -0.010 0.000 0.876 969 T HN 0.204 nan 8.240 nan 0.000 0.534 970 E N 3.006 123.380 120.200 0.289 0.000 2.418 970 E HA 0.021 4.371 4.350 0.000 0.000 0.261 970 E C 0.230 176.935 176.600 0.174 0.000 1.070 970 E CA -0.224 56.283 56.400 0.178 0.000 0.931 970 E CB 0.527 30.286 29.700 0.099 0.000 0.954 970 E HN 0.530 nan 8.360 nan 0.000 0.439 971 D N 0.707 121.174 120.400 0.112 0.000 2.488 971 D HA 0.104 4.744 4.640 0.000 0.000 0.238 971 D C 0.063 176.444 176.300 0.135 0.000 1.138 971 D CA 0.287 54.349 54.000 0.103 0.000 0.873 971 D CB 0.694 41.540 40.800 0.077 0.000 1.183 971 D HN 0.397 nan 8.370 nan 0.000 0.458 972 A N 2.306 125.208 122.820 0.137 0.000 2.406 972 A HA 0.220 4.540 4.320 0.000 0.000 0.243 972 A C 0.263 177.982 177.584 0.225 0.000 1.082 972 A CA -0.562 51.592 52.037 0.195 0.000 0.786 972 A CB 0.445 19.496 19.000 0.084 0.000 1.029 972 A HN 0.393 nan 8.150 nan 0.000 0.495 973 V N 2.626 122.770 119.914 0.383 0.000 2.529 973 V HA -0.003 4.117 4.120 0.000 0.000 0.292 973 V C 0.818 177.050 176.094 0.231 0.000 1.028 973 V CA -0.176 62.321 62.300 0.327 0.000 1.074 973 V CB 0.466 32.526 31.823 0.396 0.000 0.958 973 V HN 0.908 nan 8.190 nan 0.000 0.481 974 D N 3.804 124.271 120.400 0.112 0.000 2.487 974 D HA 0.055 4.695 4.640 0.000 0.000 0.243 974 D C 1.011 177.297 176.300 -0.023 0.000 1.154 974 D CA 0.551 54.566 54.000 0.025 0.000 0.876 974 D CB 1.591 42.383 40.800 -0.013 0.000 1.161 974 D HN 0.686 nan 8.370 nan 0.000 0.478 975 A N 4.091 126.905 122.820 -0.010 0.000 2.067 975 A HA -0.162 4.158 4.320 0.000 0.000 0.219 975 A C 1.893 179.505 177.584 0.047 0.000 1.158 975 A CA 1.179 53.205 52.037 -0.018 0.000 0.661 975 A CB -0.219 18.759 19.000 -0.038 0.000 0.801 975 A HN 0.773 nan 8.150 nan 0.000 0.452 976 E N -0.441 119.750 120.200 -0.016 0.000 2.338 976 E HA -0.135 4.215 4.350 0.000 0.000 0.197 976 E C 1.534 178.037 176.600 -0.161 0.000 1.007 976 E CA 0.416 56.775 56.400 -0.069 0.000 0.849 976 E CB 0.063 29.714 29.700 -0.082 0.000 0.774 976 E HN 0.301 nan 8.360 nan 0.000 0.506 977 R N -0.172 120.160 120.500 -0.281 0.000 2.299 977 R HA 0.071 4.411 4.340 0.000 0.000 0.197 977 R C 1.119 177.095 176.300 -0.541 0.000 0.971 977 R CA 0.370 56.158 56.100 -0.520 0.000 1.030 977 R CB 0.013 29.620 30.300 -1.155 0.000 0.932 977 R HN 0.286 nan 8.270 nan 0.000 0.477 978 L N 0.226 121.216 121.223 -0.389 0.000 2.872 978 L HA 0.227 4.567 4.340 0.000 0.000 0.245 978 L C 1.408 178.089 176.870 -0.315 0.000 1.211 978 L CA -0.076 54.473 54.840 -0.485 0.000 1.013 978 L CB 0.173 41.991 42.059 -0.402 0.000 1.326 978 L HN -0.079 nan 8.230 nan 0.000 0.525 979 K N 0.171 120.453 120.400 -0.197 0.000 2.211 979 K HA -0.115 4.205 4.320 0.000 0.000 0.203 979 K C 1.861 178.457 176.600 -0.008 0.000 1.050 979 K CA 1.046 57.350 56.287 0.028 0.000 0.945 979 K CB -0.029 32.420 32.500 -0.086 0.000 0.732 979 K HN 0.613 nan 8.250 nan 0.000 0.451 980 H N -0.129 118.975 119.070 0.057 0.000 2.529 980 H HA 0.038 4.594 4.556 0.000 0.000 0.277 980 H C 1.749 177.103 175.328 0.044 0.000 0.999 980 H CA 0.320 56.395 56.048 0.047 0.000 1.256 980 H CB -0.221 29.562 29.762 0.035 0.000 1.402 980 H HN 0.107 nan 8.280 nan 0.000 0.566 981 L N 1.235 122.528 121.223 0.117 0.000 2.395 981 L HA 0.035 4.375 4.340 0.000 0.000 0.218 981 L C 0.595 177.513 176.870 0.080 0.000 1.130 981 L CA 0.093 55.002 54.840 0.114 0.000 0.826 981 L CB 0.009 42.033 42.059 -0.058 0.000 0.941 981 L HN 0.184 nan 8.230 nan 0.000 0.451 982 I N 1.772 122.397 120.570 0.092 0.000 2.406 982 I HA 0.116 4.286 4.170 0.000 0.000 0.293 982 I C -0.150 176.036 176.117 0.114 0.000 1.101 982 I CA 0.421 61.788 61.300 0.112 0.000 1.334 982 I CB 0.283 38.383 38.000 0.166 0.000 1.421 982 I HN -0.217 nan 8.210 nan 0.000 0.513 983 V N 5.116 125.093 119.914 0.105 0.000 2.841 983 V HA 0.333 4.453 4.120 0.000 0.000 0.310 983 V C 0.250 176.400 176.094 0.093 0.000 1.090 983 V CA -0.737 61.624 62.300 0.101 0.000 0.930 983 V CB 2.329 34.216 31.823 0.106 0.000 1.014 983 V HN 0.626 nan 8.190 nan 0.000 0.425 984 T N 5.665 120.270 114.554 0.086 0.000 2.723 984 T HA 0.347 4.697 4.350 0.000 0.000 0.297 984 T C -2.443 172.307 174.700 0.083 0.000 0.925 984 T CA -0.686 61.462 62.100 0.081 0.000 1.030 984 T CB 0.822 69.733 68.868 0.073 0.000 0.905 984 T HN 0.443 nan 8.240 nan 0.000 0.502 985 P HA 0.238 nan 4.420 nan 0.000 0.267 985 P C -0.506 176.849 177.300 0.092 0.000 1.205 985 P CA -0.163 62.991 63.100 0.090 0.000 0.765 985 P CB 0.590 32.351 31.700 0.102 0.000 0.828 986 S N 1.217 116.968 115.700 0.086 0.000 2.794 986 S HA 0.880 5.350 4.470 0.000 0.000 0.299 986 S C 0.030 174.682 174.600 0.087 0.000 1.179 986 S CA -0.228 58.030 58.200 0.096 0.000 0.838 986 S CB 1.227 64.480 63.200 0.088 0.000 1.206 986 S HN 0.839 nan 8.310 nan 0.000 0.523 987 G N -0.582 108.283 108.800 0.107 0.000 2.760 987 G HA2 -0.102 3.858 3.960 0.000 0.000 0.246 987 G HA3 -0.102 3.858 3.960 0.000 0.000 0.246 987 G C 0.224 175.162 174.900 0.064 0.000 1.359 987 G CA -0.489 44.666 45.100 0.092 0.000 0.861 987 G HN 1.333 nan 8.290 nan 0.000 0.541 988 C N -0.513 118.760 119.300 -0.044 0.000 2.310 988 C HA 0.608 5.068 4.460 0.000 0.000 0.279 988 C C 2.808 177.187 174.990 -1.019 0.000 2.750 988 C CA 1.012 59.781 59.018 -0.415 0.000 1.792 988 C CB -0.047 27.618 27.740 -0.124 0.000 1.957 988 C HN 1.646 nan 8.230 nan 0.000 0.463 989 G N -0.482 107.425 108.800 -1.488 0.000 2.448 989 G HA2 -0.123 3.837 3.960 0.000 0.000 0.219 989 G HA3 -0.123 3.837 3.960 0.000 0.000 0.219 989 G C 1.358 175.982 174.900 -0.460 0.000 1.127 989 G CA 0.889 45.339 45.100 -1.084 0.000 0.766 989 G HN 0.852 nan 8.290 nan 0.000 0.552 990 E N -0.663 119.292 120.200 -0.408 0.000 2.110 990 E HA -0.001 4.349 4.350 0.000 0.000 0.193 990 E C 2.355 178.754 176.600 -0.335 0.000 0.950 990 E CA 0.268 56.498 56.400 -0.284 0.000 0.840 990 E CB -0.198 29.355 29.700 -0.245 0.000 0.809 990 E HN 0.411 nan 8.360 nan 0.000 0.465 991 Q N 1.352 120.899 119.800 -0.421 0.000 2.135 991 Q HA -0.257 4.083 4.340 0.000 0.000 0.204 991 Q C 1.946 177.870 176.000 -0.127 0.000 0.981 991 Q CA 1.807 57.427 55.803 -0.305 0.000 0.856 991 Q CB -0.064 28.581 28.738 -0.155 0.000 0.902 991 Q HN 0.052 nan 8.270 nan 0.000 0.425 992 N N -0.785 117.848 118.700 -0.112 0.000 2.149 992 N HA -0.152 4.588 4.740 0.000 0.000 0.188 992 N C 1.496 177.020 175.510 0.023 0.000 1.019 992 N CA 1.541 54.587 53.050 -0.008 0.000 0.857 992 N CB 0.011 38.522 38.487 0.039 0.000 0.997 992 N HN 0.240 nan 8.380 nan 0.000 0.426 993 M N -0.057 119.537 119.600 -0.009 0.000 2.319 993 M HA 0.035 4.515 4.480 0.000 0.000 0.265 993 M C 1.832 178.202 176.300 0.117 0.000 1.068 993 M CA 0.717 56.049 55.300 0.053 0.000 1.118 993 M CB -0.690 31.942 32.600 0.054 0.000 1.395 993 M HN 0.263 nan 8.290 nan 0.000 0.435 994 I N -0.503 120.097 120.570 0.050 0.000 2.252 994 I HA -0.179 3.991 4.170 0.000 0.000 0.245 994 I C 2.410 178.582 176.117 0.092 0.000 1.102 994 I CA 1.365 62.702 61.300 0.062 0.000 1.385 994 I CB -0.825 37.153 38.000 -0.037 0.000 1.064 994 I HN 0.302 nan 8.210 nan 0.000 0.414 995 G N 0.147 108.991 108.800 0.072 0.000 2.421 995 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 995 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 995 G C 1.719 176.686 174.900 0.110 0.000 1.143 995 G CA 0.174 45.328 45.100 0.090 0.000 0.784 995 G HN 0.250 nan 8.290 nan 0.000 0.541 996 M N 0.636 120.306 119.600 0.117 0.000 2.349 996 M HA -0.007 4.473 4.480 0.000 0.000 0.266 996 M C 2.480 178.876 176.300 0.159 0.000 1.076 996 M CA 1.171 56.549 55.300 0.129 0.000 1.126 996 M CB -0.164 32.514 32.600 0.131 0.000 1.392 996 M HN 0.182 nan 8.290 nan 0.000 0.440 997 T N 1.894 116.564 114.554 0.193 0.000 2.622 997 T HA -0.086 4.264 4.350 0.000 0.000 0.266 997 T C -0.899 173.969 174.700 0.280 0.000 1.047 997 T CA 1.773 64.045 62.100 0.287 0.000 1.159 997 T CB -1.588 67.494 68.868 0.358 0.000 0.863 997 T HN 0.393 nan 8.240 nan 0.000 0.422 998 P HA -0.033 nan 4.420 nan 0.000 0.218 998 P C 1.361 178.711 177.300 0.084 0.000 1.149 998 P CA 1.238 64.427 63.100 0.148 0.000 0.817 998 P CB -0.340 31.444 31.700 0.139 0.000 0.785 999 T N 0.151 114.766 114.554 0.102 0.000 2.777 999 T HA -0.059 4.291 4.350 0.000 0.000 0.266 999 T C 2.023 176.773 174.700 0.084 0.000 1.040 999 T CA 1.199 63.347 62.100 0.080 0.000 1.141 999 T CB -0.964 67.961 68.868 0.095 0.000 0.868 999 T HN -0.105 nan 8.240 nan 0.000 0.444 1000 V N 1.056 121.043 119.914 0.122 0.000 2.295 1000 V HA -0.109 4.011 4.120 0.000 0.000 0.246 1000 V C 2.344 178.503 176.094 0.108 0.000 1.049 1000 V CA 1.313 63.692 62.300 0.132 0.000 1.024 1000 V CB -0.511 31.427 31.823 0.191 0.000 0.648 1000 V HN 0.333 nan 8.190 nan 0.000 0.447 1001 I N 0.134 120.750 120.570 0.076 0.000 2.500 1001 I HA -0.023 4.148 4.170 0.000 0.000 0.252 1001 I C 2.370 178.460 176.117 -0.047 0.000 1.142 1001 I CA 1.238 62.525 61.300 -0.022 0.000 1.451 1001 I CB -0.525 37.417 38.000 -0.096 0.000 1.093 1001 I HN 0.167 nan 8.210 nan 0.000 0.430 1002 A N -0.384 122.359 122.820 -0.127 0.000 1.877 1002 A HA -0.164 4.156 4.320 0.000 0.000 0.216 1002 A C 2.391 179.867 177.584 -0.181 0.000 1.186 1002 A CA 2.154 54.031 52.037 -0.267 0.000 0.620 1002 A CB -1.157 17.684 19.000 -0.266 0.000 0.822 1002 A HN 0.237 nan 8.150 nan 0.000 0.443 1003 V N -0.390 119.517 119.914 -0.012 0.000 2.343 1003 V HA -0.286 3.834 4.120 0.000 0.000 0.247 1003 V C 2.486 178.663 176.094 0.140 0.000 1.051 1003 V CA 2.545 64.938 62.300 0.155 0.000 1.036 1003 V CB -1.043 30.913 31.823 0.222 0.000 0.654 1003 V HN 0.874 nan 8.190 nan 0.000 0.451 1004 H N -1.024 118.066 119.070 0.033 0.000 2.352 1004 H HA -0.269 4.288 4.556 0.000 0.000 0.299 1004 H C 2.134 177.481 175.328 0.032 0.000 1.097 1004 H CA 2.506 58.573 56.048 0.032 0.000 1.311 1004 H CB -0.290 29.474 29.762 0.003 0.000 1.377 1004 H HN 0.485 nan 8.280 nan 0.000 0.504 1005 Y N 0.337 120.576 120.300 -0.101 0.000 2.220 1005 Y HA -0.093 4.457 4.550 0.000 0.000 0.291 1005 Y C 2.183 177.928 175.900 -0.257 0.000 1.129 1005 Y CA 1.498 59.505 58.100 -0.155 0.000 1.161 1005 Y CB -0.299 38.088 38.460 -0.122 0.000 0.997 1005 Y HN 0.223 nan 8.280 nan 0.000 0.522 1006 L N -0.254 120.761 121.223 -0.346 0.000 2.131 1006 L HA -0.208 4.132 4.340 0.000 0.000 0.210 1006 L C 1.972 178.576 176.870 -0.442 0.000 1.092 1006 L CA 1.406 55.840 54.840 -0.676 0.000 0.759 1006 L CB -0.540 40.719 42.059 -1.333 0.000 0.903 1006 L HN 0.146 nan 8.230 nan 0.000 0.435 1007 D N -0.245 120.095 120.400 -0.100 0.000 2.092 1007 D HA -0.193 4.447 4.640 0.000 0.000 0.193 1007 D C 2.275 178.508 176.300 -0.110 0.000 0.994 1007 D CA 1.072 55.104 54.000 0.053 0.000 0.828 1007 D CB 0.043 40.858 40.800 0.026 0.000 0.963 1007 D HN 0.142 nan 8.370 nan 0.000 0.450 1008 E N -0.380 119.666 120.200 -0.256 0.000 2.072 1008 E HA -0.082 4.268 4.350 0.000 0.000 0.190 1008 E C 2.182 178.626 176.600 -0.261 0.000 0.982 1008 E CA 1.390 57.638 56.400 -0.254 0.000 0.803 1008 E CB -0.365 29.155 29.700 -0.298 0.000 0.755 1008 E HN 0.448 nan 8.360 nan 0.000 0.453 1009 T N -1.323 112.989 114.554 -0.403 0.000 3.035 1009 T HA -0.039 4.311 4.350 0.000 0.000 0.268 1009 T C 0.486 175.045 174.700 -0.234 0.000 1.109 1009 T CA 0.497 62.377 62.100 -0.367 0.000 1.119 1009 T CB -0.168 68.359 68.868 -0.568 0.000 0.900 1009 T HN 0.171 nan 8.240 nan 0.000 0.503 1010 E N 1.043 121.123 120.200 -0.199 0.000 2.230 1010 E HA -0.206 4.144 4.350 0.000 0.000 0.206 1010 E C -0.146 176.398 176.600 -0.093 0.000 1.309 1010 E CA 0.253 56.608 56.400 -0.074 0.000 0.697 1010 E CB -1.346 28.342 29.700 -0.020 0.000 1.146 1010 E HN 0.745 nan 8.360 nan 0.000 0.363 1011 Q N -1.225 118.436 119.800 -0.232 0.000 2.201 1011 Q HA 0.056 4.396 4.340 0.000 0.000 0.236 1011 Q C 0.847 176.765 176.000 -0.138 0.000 0.857 1011 Q CA -0.288 55.409 55.803 -0.175 0.000 1.025 1011 Q CB 0.178 28.787 28.738 -0.214 0.000 1.124 1011 Q HN 0.483 nan 8.270 nan 0.000 0.473 1012 W N 1.536 122.827 121.300 -0.015 0.000 2.363 1012 W HA -0.122 4.538 4.660 -0.000 0.000 0.296 1012 W C 1.861 178.423 176.519 0.073 0.000 1.212 1012 W CA 0.690 58.052 57.345 0.029 0.000 1.260 1012 W CB 0.255 29.711 29.460 -0.008 0.000 1.131 1012 W HN 0.312 nan 8.180 nan 0.000 0.530 1013 E N 0.542 120.887 120.200 0.241 0.000 2.035 1013 E HA -0.288 4.062 4.350 0.000 0.000 0.204 1013 E C 2.122 178.796 176.600 0.123 0.000 1.025 1013 E CA 1.674 58.163 56.400 0.148 0.000 0.835 1013 E CB -0.338 29.416 29.700 0.090 0.000 0.764 1013 E HN 0.194 nan 8.360 nan 0.000 0.457 1014 K N -0.055 120.401 120.400 0.093 0.000 2.103 1014 K HA -0.154 4.166 4.320 0.000 0.000 0.207 1014 K C 2.058 178.707 176.600 0.081 0.000 1.048 1014 K CA 0.897 57.221 56.287 0.062 0.000 0.930 1014 K CB -0.399 32.123 32.500 0.037 0.000 0.716 1014 K HN 0.135 nan 8.250 nan 0.000 0.444 1015 F N 0.518 120.453 119.950 -0.025 0.000 2.149 1015 F HA 0.037 4.564 4.527 0.000 0.000 0.294 1015 F C 0.770 176.602 175.800 0.053 0.000 1.095 1015 F CA 1.484 59.465 58.000 -0.030 0.000 1.276 1015 F CB 0.476 39.401 39.000 -0.125 0.000 1.023 1015 F HN 0.144 nan 8.300 nan 0.000 0.480 1016 G N 0.210 109.186 108.800 0.293 0.000 2.299 1016 G HA2 -0.004 3.956 3.960 0.000 0.000 0.219 1016 G HA3 -0.004 3.956 3.960 0.000 0.000 0.219 1016 G C 0.139 175.235 174.900 0.326 0.000 2.786 1016 G CA -0.224 45.003 45.100 0.211 0.000 1.025 1016 G HN 0.274 nan 8.290 nan 0.000 0.582 1017 L N 1.010 122.375 121.223 0.236 0.000 2.054 1017 L HA -0.201 4.139 4.340 0.000 0.000 0.220 1017 L C 2.789 179.684 176.870 0.042 0.000 1.081 1017 L CA 3.211 58.150 54.840 0.165 0.000 0.780 1017 L CB 0.036 42.145 42.059 0.084 0.000 0.893 1017 L HN 0.761 nan 8.230 nan 0.000 0.438 1018 E N -1.263 118.962 120.200 0.042 0.000 2.358 1018 E HA -0.152 4.198 4.350 0.000 0.000 0.195 1018 E C 1.815 178.419 176.600 0.006 0.000 1.010 1018 E CA 0.861 57.257 56.400 -0.008 0.000 0.856 1018 E CB -0.524 29.177 29.700 0.001 0.000 0.795 1018 E HN 0.402 nan 8.360 nan 0.000 0.504 1019 K N 0.540 121.004 120.400 0.108 0.000 2.365 1019 K HA 0.022 4.342 4.320 0.000 0.000 0.199 1019 K C 2.048 178.723 176.600 0.126 0.000 1.045 1019 K CA 0.554 56.951 56.287 0.183 0.000 0.962 1019 K CB -0.045 32.674 32.500 0.365 0.000 0.759 1019 K HN 0.067 nan 8.250 nan 0.000 0.469 1020 R N 1.292 121.689 120.500 -0.172 0.000 2.083 1020 R HA -0.228 4.112 4.340 0.000 0.000 0.237 1020 R C 2.302 178.444 176.300 -0.263 0.000 1.137 1020 R CA 1.735 57.481 56.100 -0.589 0.000 0.951 1020 R CB -0.055 29.410 30.300 -1.391 0.000 0.851 1020 R HN 0.020 nan 8.270 nan 0.000 0.434 1021 Q N -0.202 119.478 119.800 -0.201 0.000 2.135 1021 Q HA -0.099 4.241 4.340 0.000 0.000 0.204 1021 Q C 1.773 177.744 176.000 -0.048 0.000 0.981 1021 Q CA 2.143 57.876 55.803 -0.116 0.000 0.856 1021 Q CB -0.649 28.034 28.738 -0.092 0.000 0.902 1021 Q HN 0.499 nan 8.270 nan 0.000 0.425 1022 G N -0.248 108.546 108.800 -0.010 0.000 2.433 1022 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 1022 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 1022 G C 1.477 176.407 174.900 0.049 0.000 1.186 1022 G CA 0.999 46.118 45.100 0.032 0.000 0.779 1022 G HN 0.531 nan 8.290 nan 0.000 0.543 1023 A N 0.378 123.244 122.820 0.076 0.000 1.940 1023 A HA 0.065 4.385 4.320 0.000 0.000 0.219 1023 A C 2.357 179.972 177.584 0.051 0.000 1.176 1023 A CA 1.195 53.290 52.037 0.096 0.000 0.631 1023 A CB -0.365 18.739 19.000 0.173 0.000 0.814 1023 A HN 0.315 nan 8.150 nan 0.000 0.446 1024 L N -0.138 121.087 121.223 0.003 0.000 2.046 1024 L HA -0.171 4.169 4.340 0.000 0.000 0.208 1024 L C 2.343 179.210 176.870 -0.006 0.000 1.077 1024 L CA 2.188 57.016 54.840 -0.019 0.000 0.747 1024 L CB -1.285 40.735 42.059 -0.065 0.000 0.896 1024 L HN 0.552 nan 8.230 nan 0.000 0.432 1025 E N -0.556 119.646 120.200 0.002 0.000 2.150 1025 E HA -0.189 4.161 4.350 0.000 0.000 0.193 1025 E C 2.311 178.931 176.600 0.034 0.000 0.985 1025 E CA 0.706 57.114 56.400 0.013 0.000 0.814 1025 E CB 0.005 29.714 29.700 0.015 0.000 0.752 1025 E HN 0.448 nan 8.360 nan 0.000 0.466 1026 L N 0.538 121.789 121.223 0.045 0.000 2.093 1026 L HA -0.127 4.213 4.340 0.000 0.000 0.208 1026 L C 2.398 179.308 176.870 0.067 0.000 1.085 1026 L CA 0.875 55.752 54.840 0.062 0.000 0.755 1026 L CB -0.412 41.690 42.059 0.072 0.000 0.904 1026 L HN 0.187 nan 8.230 nan 0.000 0.435 1027 I N 0.196 120.798 120.570 0.054 0.000 2.252 1027 I HA -0.284 3.886 4.170 0.000 0.000 0.245 1027 I C 2.715 178.858 176.117 0.044 0.000 1.102 1027 I CA 1.272 62.601 61.300 0.048 0.000 1.385 1027 I CB -0.246 37.769 38.000 0.025 0.000 1.064 1027 I HN 0.246 nan 8.210 nan 0.000 0.414 1028 K N 1.584 121.999 120.400 0.025 0.000 2.097 1028 K HA -0.241 4.079 4.320 0.000 0.000 0.206 1028 K C 2.207 178.880 176.600 0.122 0.000 1.049 1028 K CA 1.487 57.803 56.287 0.047 0.000 0.933 1028 K CB 0.002 32.507 32.500 0.008 0.000 0.717 1028 K HN 0.091 nan 8.250 nan 0.000 0.442 1029 K N -0.234 120.219 120.400 0.089 0.000 2.057 1029 K HA -0.100 4.220 4.320 0.000 0.000 0.207 1029 K C 2.018 178.685 176.600 0.111 0.000 1.049 1029 K CA 1.604 57.946 56.287 0.091 0.000 0.931 1029 K CB -0.343 32.201 32.500 0.074 0.000 0.714 1029 K HN 0.301 nan 8.250 nan 0.000 0.440 1030 G N 0.135 109.006 108.800 0.120 0.000 2.421 1030 G HA2 -0.319 3.641 3.960 0.000 0.000 0.216 1030 G HA3 -0.319 3.641 3.960 0.000 0.000 0.216 1030 G C 1.378 176.379 174.900 0.168 0.000 1.171 1030 G CA 1.025 46.209 45.100 0.140 0.000 0.775 1030 G HN 0.467 nan 8.290 nan 0.000 0.543 1031 Y N 1.988 122.295 120.300 0.012 0.000 2.053 1031 Y HA -0.219 4.331 4.550 0.000 0.000 0.277 1031 Y C 3.065 179.001 175.900 0.059 0.000 1.159 1031 Y CA 2.568 60.634 58.100 -0.057 0.000 1.125 1031 Y CB -0.694 37.616 38.460 -0.249 0.000 0.969 1031 Y HN 0.195 nan 8.280 nan 0.000 0.492 1032 T N 0.693 115.242 114.554 -0.009 0.000 2.652 1032 T HA -0.273 4.077 4.350 0.000 0.000 0.267 1032 T C 1.762 176.428 174.700 -0.057 0.000 1.039 1032 T CA 1.981 64.032 62.100 -0.081 0.000 1.153 1032 T CB -0.421 68.476 68.868 0.049 0.000 0.863 1032 T HN 0.474 nan 8.240 nan 0.000 0.428 1033 Q N 0.304 120.128 119.800 0.040 0.000 2.152 1033 Q HA -0.222 4.118 4.340 0.000 0.000 0.206 1033 Q C 2.484 178.591 176.000 0.178 0.000 0.985 1033 Q CA 1.550 57.411 55.803 0.096 0.000 0.863 1033 Q CB -0.203 28.630 28.738 0.159 0.000 0.904 1033 Q HN 0.386 nan 8.270 nan 0.000 0.422 1034 Q N 0.696 120.628 119.800 0.221 0.000 2.167 1034 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 1034 Q C 1.738 177.955 176.000 0.361 0.000 0.970 1034 Q CA 1.104 57.138 55.803 0.385 0.000 0.855 1034 Q CB -0.104 28.814 28.738 0.300 0.000 0.911 1034 Q HN 0.411 nan 8.270 nan 0.000 0.438 1035 L N -0.370 120.909 121.223 0.093 0.000 2.127 1035 L HA -0.150 4.190 4.340 0.000 0.000 0.211 1035 L C 2.218 179.020 176.870 -0.114 0.000 1.089 1035 L CA 0.892 55.736 54.840 0.007 0.000 0.757 1035 L CB -0.760 41.221 42.059 -0.131 0.000 0.899 1035 L HN 0.259 nan 8.230 nan 0.000 0.434 1036 A N -0.299 122.351 122.820 -0.284 0.000 2.186 1036 A HA -0.143 4.177 4.320 0.000 0.000 0.219 1036 A C 1.428 178.565 177.584 -0.745 0.000 1.159 1036 A CA 1.335 53.025 52.037 -0.579 0.000 0.680 1036 A CB -0.599 17.916 19.000 -0.809 0.000 0.787 1036 A HN 0.461 nan 8.150 nan 0.000 0.467 1037 F N -1.171 118.798 119.950 0.032 0.000 2.683 1037 F HA 0.318 4.845 4.527 0.000 0.000 0.306 1037 F C 0.829 176.522 175.800 -0.177 0.000 1.102 1037 F CA -0.557 57.451 58.000 0.014 0.000 1.244 1037 F CB 0.224 39.290 39.000 0.110 0.000 1.029 1037 F HN -0.014 nan 8.300 nan 0.000 0.545 1038 R N 2.489 122.835 120.500 -0.255 0.000 2.248 1038 R HA 0.189 4.529 4.340 0.000 0.000 0.328 1038 R C 0.072 176.102 176.300 -0.450 0.000 1.067 1038 R CA -0.037 55.629 56.100 -0.723 0.000 0.924 1038 R CB 0.494 30.460 30.300 -0.558 0.000 1.013 1038 R HN 0.324 nan 8.270 nan 0.000 0.454 1039 Q N 4.483 123.988 119.800 -0.491 0.000 2.318 1039 Q HA 0.137 4.477 4.340 0.000 0.000 0.222 1039 Q C -1.650 174.192 176.000 -0.263 0.000 1.003 1039 Q CA -1.841 53.782 55.803 -0.301 0.000 0.936 1039 Q CB 0.611 29.179 28.738 -0.282 0.000 1.204 1039 Q HN 0.465 nan 8.270 nan 0.000 0.524 1040 P HA -0.190 nan 4.420 nan 0.000 0.216 1040 P C 1.186 178.420 177.300 -0.110 0.000 1.150 1040 P CA 1.634 64.667 63.100 -0.112 0.000 0.837 1040 P CB 0.074 31.737 31.700 -0.062 0.000 0.786 1041 S N -2.232 113.385 115.700 -0.138 0.000 2.515 1041 S HA -0.017 4.453 4.470 0.000 0.000 0.231 1041 S C 1.037 175.518 174.600 -0.198 0.000 0.987 1041 S CA 0.813 58.955 58.200 -0.097 0.000 0.936 1041 S CB -0.989 62.174 63.200 -0.061 0.000 0.766 1041 S HN 0.080 nan 8.310 nan 0.000 0.528 1042 S N -0.585 114.925 115.700 -0.317 0.000 2.990 1042 S HA -0.089 4.381 4.470 0.000 0.000 0.273 1042 S C 0.390 174.687 174.600 -0.505 0.000 1.323 1042 S CA 0.400 58.406 58.200 -0.323 0.000 1.084 1042 S CB -2.244 60.898 63.200 -0.097 0.000 1.323 1042 S HN 1.243 nan 8.310 nan 0.000 0.682 1043 A N 0.001 122.318 122.820 -0.838 0.000 2.274 1043 A HA 0.890 5.210 4.320 0.000 0.000 0.297 1043 A C -0.229 176.894 177.584 -0.768 0.000 1.191 1043 A CA -0.140 51.306 52.037 -0.984 0.000 0.889 1043 A CB 0.424 18.212 19.000 -2.020 0.000 1.294 1043 A HN 0.322 nan 8.150 nan 0.000 0.506 1044 F N -2.234 117.474 119.950 -0.403 0.000 2.620 1044 F HA 0.736 5.263 4.527 0.000 0.000 0.320 1044 F C 0.379 176.096 175.800 -0.139 0.000 1.069 1044 F CA 0.281 58.160 58.000 -0.202 0.000 0.953 1044 F CB 2.410 41.310 39.000 -0.168 0.000 1.322 1044 F HN 0.855 nan 8.300 nan 0.000 0.479 1045 A N 0.100 122.991 122.820 0.120 0.000 2.608 1045 A HA 0.667 4.987 4.320 0.000 0.000 0.292 1045 A C 0.145 177.670 177.584 -0.100 0.000 1.066 1045 A CA -0.195 51.855 52.037 0.021 0.000 0.676 1045 A CB 0.553 19.565 19.000 0.020 0.000 1.277 1045 A HN 1.184 nan 8.150 nan 0.000 0.413 1046 A N 0.272 122.922 122.820 -0.282 0.000 1.915 1046 A HA 0.214 4.535 4.320 0.000 0.000 0.220 1046 A C 0.552 177.638 177.584 -0.829 0.000 1.198 1046 A CA 2.290 53.893 52.037 -0.724 0.000 0.647 1046 A CB -0.686 17.684 19.000 -1.050 0.000 0.825 1046 A HN 1.093 nan 8.150 nan 0.000 0.456 1047 F N -3.719 116.270 119.950 0.064 0.000 2.654 1047 F HA 0.461 4.988 4.527 0.000 0.000 0.334 1047 F C 1.255 177.155 175.800 0.168 0.000 1.078 1047 F CA -0.525 57.562 58.000 0.145 0.000 0.986 1047 F CB 1.230 40.289 39.000 0.100 0.000 1.362 1047 F HN -0.059 nan 8.300 nan 0.000 0.498 1048 V N -1.118 119.022 119.914 0.378 0.000 2.453 1048 V HA 0.026 4.146 4.120 0.000 0.000 0.247 1048 V C 0.827 177.000 176.094 0.132 0.000 1.048 1048 V CA 1.280 63.699 62.300 0.199 0.000 1.049 1048 V CB -0.602 31.298 31.823 0.128 0.000 0.672 1048 V HN 0.660 nan 8.190 nan 0.000 0.457 1049 K N 1.376 121.864 120.400 0.147 0.000 3.129 1049 K HA 0.395 4.715 4.320 0.000 0.000 0.241 1049 K C 0.089 176.765 176.600 0.127 0.000 1.239 1049 K CA -0.118 56.230 56.287 0.101 0.000 1.239 1049 K CB 0.173 32.714 32.500 0.067 0.000 1.347 1049 K HN 0.459 nan 8.250 nan 0.000 0.435 1050 R N 0.256 120.843 120.500 0.145 0.000 2.744 1050 R HA 0.434 4.774 4.340 0.000 0.000 0.279 1050 R C -1.007 175.351 176.300 0.097 0.000 0.977 1050 R CA -0.629 55.557 56.100 0.144 0.000 0.906 1050 R CB 1.630 32.053 30.300 0.206 0.000 1.197 1050 R HN 0.240 nan 8.270 nan 0.000 0.463 1051 A N 4.374 127.252 122.820 0.097 0.000 2.565 1051 A HA 0.230 4.550 4.320 0.000 0.000 0.237 1051 A C -2.163 175.479 177.584 0.098 0.000 1.053 1051 A CA -0.684 51.413 52.037 0.100 0.000 0.755 1051 A CB -0.306 18.759 19.000 0.108 0.000 0.980 1051 A HN 0.428 nan 8.150 nan 0.000 0.506 1052 P HA 0.245 nan 4.420 nan 0.000 0.278 1052 P C -0.352 177.059 177.300 0.184 0.000 1.238 1052 P CA -0.312 62.819 63.100 0.052 0.000 0.794 1052 P CB 1.195 32.797 31.700 -0.165 0.000 0.955 1053 S N 0.952 116.752 115.700 0.166 0.000 2.475 1053 S HA 0.190 4.660 4.470 0.000 0.000 0.281 1053 S C 1.214 176.025 174.600 0.352 0.000 1.198 1053 S CA -0.267 58.081 58.200 0.246 0.000 1.063 1053 S CB -0.216 63.114 63.200 0.216 0.000 0.972 1053 S HN 0.368 nan 8.310 nan 0.000 0.486 1054 T N 4.681 119.485 114.554 0.418 0.000 2.746 1054 T HA -0.122 4.228 4.350 0.000 0.000 0.267 1054 T C 1.205 176.114 174.700 0.347 0.000 1.039 1054 T CA 1.498 63.859 62.100 0.435 0.000 1.142 1054 T CB -0.378 68.672 68.868 0.305 0.000 0.866 1054 T HN 0.867 nan 8.240 nan 0.000 0.444 1055 W N 1.457 122.858 121.300 0.168 0.000 2.353 1055 W HA -0.074 4.586 4.660 0.000 0.000 0.319 1055 W C 2.024 178.660 176.519 0.196 0.000 1.207 1055 W CA 0.696 58.129 57.345 0.146 0.000 1.291 1055 W CB -0.782 28.663 29.460 -0.024 0.000 1.159 1055 W HN 0.111 nan 8.180 nan 0.000 0.478 1056 L N 0.691 122.139 121.223 0.376 0.000 2.012 1056 L HA -0.225 4.115 4.340 0.000 0.000 0.210 1056 L C 2.371 179.204 176.870 -0.062 0.000 1.073 1056 L CA 2.841 57.787 54.840 0.175 0.000 0.748 1056 L CB -1.405 40.789 42.059 0.226 0.000 0.891 1056 L HN -0.002 nan 8.230 nan 0.000 0.431 1057 T N -0.260 114.320 114.554 0.044 0.000 2.684 1057 T HA -0.213 4.137 4.350 0.000 0.000 0.267 1057 T C 1.876 176.507 174.700 -0.114 0.000 1.036 1057 T CA 1.504 63.616 62.100 0.020 0.000 1.148 1057 T CB -0.583 68.391 68.868 0.177 0.000 0.863 1057 T HN 0.538 nan 8.240 nan 0.000 0.436 1058 A N 0.317 123.082 122.820 -0.090 0.000 1.930 1058 A HA -0.073 4.247 4.320 0.000 0.000 0.217 1058 A C 2.116 179.479 177.584 -0.368 0.000 1.175 1058 A CA 1.385 53.289 52.037 -0.223 0.000 0.627 1058 A CB -0.904 17.984 19.000 -0.187 0.000 0.815 1058 A HN 0.568 nan 8.150 nan 0.000 0.443 1059 Y N 0.587 120.548 120.300 -0.565 0.000 2.242 1059 Y HA -0.113 4.437 4.550 0.000 0.000 0.291 1059 Y C 2.320 177.890 175.900 -0.549 0.000 1.137 1059 Y CA 1.392 59.110 58.100 -0.637 0.000 1.181 1059 Y CB -0.422 37.416 38.460 -1.036 0.000 0.989 1059 Y HN 0.059 nan 8.280 nan 0.000 0.527 1060 V N -0.903 118.599 119.914 -0.687 0.000 2.332 1060 V HA -0.320 3.800 4.120 0.000 0.000 0.248 1060 V C 2.400 177.980 176.094 -0.856 0.000 1.055 1060 V CA 1.801 63.516 62.300 -0.975 0.000 1.038 1060 V CB -0.952 30.085 31.823 -1.310 0.000 0.651 1060 V HN 0.311 nan 8.190 nan 0.000 0.450 1061 V N -0.198 119.380 119.914 -0.561 0.000 2.343 1061 V HA -0.295 3.825 4.120 0.000 0.000 0.247 1061 V C 2.425 178.358 176.094 -0.269 0.000 1.051 1061 V CA 2.358 64.464 62.300 -0.323 0.000 1.036 1061 V CB -0.666 31.023 31.823 -0.223 0.000 0.654 1061 V HN 0.551 nan 8.190 nan 0.000 0.451 1062 K N -0.200 119.967 120.400 -0.388 0.000 2.097 1062 K HA -0.154 4.166 4.320 0.000 0.000 0.206 1062 K C 2.029 178.453 176.600 -0.293 0.000 1.049 1062 K CA 1.580 57.669 56.287 -0.331 0.000 0.933 1062 K CB -0.094 32.158 32.500 -0.414 0.000 0.717 1062 K HN 0.350 nan 8.250 nan 0.000 0.442 1063 V N 0.836 120.440 119.914 -0.516 0.000 2.255 1063 V HA -0.209 3.911 4.120 0.000 0.000 0.243 1063 V C 2.162 178.317 176.094 0.102 0.000 1.038 1063 V CA 1.539 63.673 62.300 -0.276 0.000 1.008 1063 V CB -0.609 30.957 31.823 -0.430 0.000 0.645 1063 V HN 0.194 nan 8.190 nan 0.000 0.449 1064 F N 1.370 121.208 119.950 -0.187 0.000 2.091 1064 F HA -0.210 4.317 4.527 0.000 0.000 0.299 1064 F C 2.790 178.561 175.800 -0.048 0.000 1.103 1064 F CA 1.657 59.610 58.000 -0.079 0.000 1.228 1064 F CB -1.417 37.550 39.000 -0.057 0.000 0.984 1064 F HN 0.079 nan 8.300 nan 0.000 0.477 1065 S N 0.379 116.162 115.700 0.138 0.000 2.359 1065 S HA -0.245 4.225 4.470 0.000 0.000 0.223 1065 S C 2.197 176.834 174.600 0.060 0.000 1.039 1065 S CA 1.582 59.825 58.200 0.071 0.000 1.042 1065 S CB -0.876 62.343 63.200 0.030 0.000 0.915 1065 S HN 0.449 nan 8.310 nan 0.000 0.439 1066 L N 1.003 122.272 121.223 0.078 0.000 2.141 1066 L HA 0.021 4.361 4.340 0.000 0.000 0.209 1066 L C 2.208 179.110 176.870 0.052 0.000 1.094 1066 L CA 1.256 56.127 54.840 0.053 0.000 0.763 1066 L CB -0.434 41.649 42.059 0.039 0.000 0.908 1066 L HN 0.315 nan 8.230 nan 0.000 0.437 1067 A N -0.619 122.234 122.820 0.056 0.000 2.168 1067 A HA -0.053 4.267 4.320 0.000 0.000 0.215 1067 A C 2.181 179.733 177.584 -0.052 0.000 1.152 1067 A CA 1.078 53.120 52.037 0.008 0.000 0.716 1067 A CB -0.927 18.058 19.000 -0.026 0.000 0.794 1067 A HN 0.484 nan 8.150 nan 0.000 0.465 1068 V N -1.273 118.616 119.914 -0.042 0.000 2.594 1068 V HA -0.235 3.885 4.120 0.000 0.000 0.253 1068 V C 1.595 177.657 176.094 -0.054 0.000 1.069 1068 V CA 2.184 64.440 62.300 -0.073 0.000 1.082 1068 V CB -1.026 30.775 31.823 -0.036 0.000 0.680 1068 V HN 0.554 nan 8.190 nan 0.000 0.469 1069 N N 0.993 119.687 118.700 -0.011 0.000 2.396 1069 N HA 0.028 4.768 4.740 0.000 0.000 0.180 1069 N C 1.717 177.216 175.510 -0.017 0.000 1.028 1069 N CA 1.840 54.890 53.050 0.001 0.000 0.893 1069 N CB -0.085 38.428 38.487 0.045 0.000 0.967 1069 N HN 0.533 nan 8.380 nan 0.000 0.440 1070 L N 0.215 121.422 121.223 -0.027 0.000 2.357 1070 L HA 0.338 4.678 4.340 0.000 0.000 0.211 1070 L C 0.985 177.805 176.870 -0.082 0.000 1.075 1070 L CA 0.336 55.154 54.840 -0.037 0.000 0.830 1070 L CB -0.017 42.039 42.059 -0.004 0.000 0.996 1070 L HN 0.052 nan 8.230 nan 0.000 0.467 1071 I N -3.962 116.531 120.570 -0.129 0.000 3.102 1071 I HA 0.701 4.871 4.170 0.000 0.000 0.310 1071 I C -0.488 175.475 176.117 -0.257 0.000 1.246 1071 I CA -1.249 59.938 61.300 -0.189 0.000 0.979 1071 I CB 1.835 39.697 38.000 -0.230 0.000 1.267 1071 I HN -0.221 nan 8.210 nan 0.000 0.451 1072 A N 4.338 126.993 122.820 -0.276 0.000 2.491 1072 A HA 0.545 4.865 4.320 0.000 0.000 0.261 1072 A C -0.309 176.977 177.584 -0.497 0.000 1.101 1072 A CA 0.123 51.992 52.037 -0.280 0.000 0.772 1072 A CB -0.330 18.556 19.000 -0.191 0.000 1.043 1072 A HN 0.489 nan 8.150 nan 0.000 0.501 1073 I N 3.391 123.746 120.570 -0.359 0.000 2.382 1073 I HA 0.146 4.316 4.170 0.000 0.000 0.285 1073 I C 0.014 176.092 176.117 -0.065 0.000 1.007 1073 I CA -0.658 60.430 61.300 -0.354 0.000 1.142 1073 I CB 1.336 39.191 38.000 -0.243 0.000 1.289 1073 I HN 0.636 nan 8.210 nan 0.000 0.453 1074 D N 4.422 124.872 120.400 0.084 0.000 2.402 1074 D HA -0.016 4.624 4.640 0.000 0.000 0.268 1074 D C 1.172 177.554 176.300 0.136 0.000 1.294 1074 D CA 0.617 54.698 54.000 0.135 0.000 0.945 1074 D CB 0.963 41.889 40.800 0.211 0.000 1.112 1074 D HN 0.431 nan 8.370 nan 0.000 0.517 1075 S N 3.255 119.005 115.700 0.084 0.000 2.374 1075 S HA -0.247 4.223 4.470 0.000 0.000 0.227 1075 S C 1.779 176.437 174.600 0.095 0.000 1.037 1075 S CA 1.229 59.478 58.200 0.081 0.000 1.024 1075 S CB 0.008 63.239 63.200 0.051 0.000 0.861 1075 S HN 0.630 nan 8.310 nan 0.000 0.456 1076 Q N 0.005 119.858 119.800 0.087 0.000 2.181 1076 Q HA -0.110 4.230 4.340 0.000 0.000 0.205 1076 Q C 2.215 178.277 176.000 0.103 0.000 0.980 1076 Q CA 1.460 57.312 55.803 0.080 0.000 0.862 1076 Q CB -0.297 28.478 28.738 0.063 0.000 0.905 1076 Q HN 0.428 nan 8.270 nan 0.000 0.429 1077 V N 0.619 120.622 119.914 0.148 0.000 2.283 1077 V HA -0.222 3.898 4.120 0.000 0.000 0.243 1077 V C 2.091 178.321 176.094 0.227 0.000 1.039 1077 V CA 1.317 63.737 62.300 0.199 0.000 1.016 1077 V CB -0.519 31.486 31.823 0.304 0.000 0.650 1077 V HN 0.290 nan 8.190 nan 0.000 0.449 1078 L N 0.083 121.451 121.223 0.242 0.000 2.083 1078 L HA -0.152 4.188 4.340 0.000 0.000 0.209 1078 L C 2.211 179.157 176.870 0.127 0.000 1.083 1078 L CA 2.182 57.143 54.840 0.203 0.000 0.752 1078 L CB -0.697 41.479 42.059 0.195 0.000 0.899 1078 L HN 0.408 nan 8.230 nan 0.000 0.433 1079 c N -0.787 117.880 118.600 0.111 0.000 2.512 1079 c HA 0.225 4.795 4.570 0.000 0.000 0.276 1079 c C 2.692 176.842 174.090 0.099 0.000 1.368 1079 c CA 0.006 56.388 56.329 0.088 0.000 1.755 1079 c CB -1.607 40.946 42.510 0.071 0.000 2.008 1079 c HN 0.689 nan 8.230 nan 0.000 0.511 1080 G N 1.012 109.874 108.800 0.103 0.000 2.432 1080 G HA2 -0.026 3.934 3.960 0.000 0.000 0.219 1080 G HA3 -0.026 3.934 3.960 0.000 0.000 0.219 1080 G C 1.820 176.805 174.900 0.141 0.000 1.135 1080 G CA 1.097 46.259 45.100 0.102 0.000 0.767 1080 G HN 0.588 nan 8.290 nan 0.000 0.550 1081 A N 0.102 123.009 122.820 0.145 0.000 1.897 1081 A HA 0.147 4.467 4.320 0.000 0.000 0.215 1081 A C 2.588 180.301 177.584 0.215 0.000 1.181 1081 A CA 1.642 53.788 52.037 0.183 0.000 0.620 1081 A CB -0.543 18.550 19.000 0.155 0.000 0.821 1081 A HN 0.225 nan 8.150 nan 0.000 0.443 1082 V N 0.270 120.265 119.914 0.135 0.000 2.295 1082 V HA -0.257 3.863 4.120 0.000 0.000 0.246 1082 V C 2.525 178.699 176.094 0.134 0.000 1.049 1082 V CA 2.339 64.700 62.300 0.101 0.000 1.024 1082 V CB -0.637 31.220 31.823 0.056 0.000 0.648 1082 V HN 0.626 nan 8.190 nan 0.000 0.447 1083 K N -1.294 119.191 120.400 0.142 0.000 2.063 1083 K HA -0.273 4.047 4.320 0.000 0.000 0.208 1083 K C 2.021 178.722 176.600 0.168 0.000 1.048 1083 K CA 2.172 58.538 56.287 0.130 0.000 0.928 1083 K CB -0.290 32.280 32.500 0.117 0.000 0.713 1083 K HN 0.581 nan 8.250 nan 0.000 0.442 1084 W N 1.553 122.879 121.300 0.042 0.000 2.354 1084 W HA -0.201 4.459 4.660 0.000 0.000 0.315 1084 W C 1.556 178.118 176.519 0.073 0.000 1.206 1084 W CA 1.502 58.874 57.345 0.046 0.000 1.290 1084 W CB -0.462 29.020 29.460 0.038 0.000 1.152 1084 W HN 0.004 nan 8.180 nan 0.000 0.489 1085 L N 0.208 121.540 121.223 0.183 0.000 2.043 1085 L HA -0.292 4.048 4.340 0.000 0.000 0.212 1085 L C 2.405 179.304 176.870 0.050 0.000 1.075 1085 L CA 1.777 56.630 54.840 0.023 0.000 0.752 1085 L CB -0.831 41.305 42.059 0.129 0.000 0.891 1085 L HN 0.084 nan 8.230 nan 0.000 0.432 1086 I N -0.824 119.800 120.570 0.091 0.000 2.193 1086 I HA -0.276 3.894 4.170 0.000 0.000 0.240 1086 I C 2.300 178.375 176.117 -0.070 0.000 1.084 1086 I CA 1.219 62.563 61.300 0.073 0.000 1.365 1086 I CB -0.226 37.818 38.000 0.073 0.000 1.064 1086 I HN 0.162 nan 8.210 nan 0.000 0.410 1087 L N -0.031 121.137 121.223 -0.092 0.000 2.156 1087 L HA -0.095 4.245 4.340 0.000 0.000 0.208 1087 L C 2.333 179.087 176.870 -0.194 0.000 1.095 1087 L CA 1.064 55.837 54.840 -0.112 0.000 0.770 1087 L CB -0.413 41.612 42.059 -0.056 0.000 0.914 1087 L HN 0.296 nan 8.230 nan 0.000 0.439 1088 E N -0.400 119.582 120.200 -0.362 0.000 2.290 1088 E HA 0.030 4.380 4.350 0.000 0.000 0.197 1088 E C 1.236 177.586 176.600 -0.416 0.000 0.948 1088 E CA 0.466 56.597 56.400 -0.448 0.000 0.895 1088 E CB 0.498 29.722 29.700 -0.794 0.000 0.865 1088 E HN 0.225 nan 8.360 nan 0.000 0.486 1089 K N 0.621 120.761 120.400 -0.433 0.000 2.447 1089 K HA 0.196 4.516 4.320 0.000 0.000 0.205 1089 K C 0.167 176.677 176.600 -0.149 0.000 1.059 1089 K CA -0.047 56.078 56.287 -0.270 0.000 1.065 1089 K CB 1.424 33.737 32.500 -0.312 0.000 0.885 1089 K HN 0.043 nan 8.250 nan 0.000 0.545 1090 Q N 1.645 121.295 119.800 -0.251 0.000 2.325 1090 Q HA 0.214 4.554 4.340 0.000 0.000 0.262 1090 Q C -0.591 175.205 176.000 -0.340 0.000 0.968 1090 Q CA -0.340 55.175 55.803 -0.479 0.000 0.877 1090 Q CB 1.191 29.526 28.738 -0.671 0.000 1.253 1090 Q HN -0.054 nan 8.270 nan 0.000 0.448 1091 K N 3.547 123.747 120.400 -0.334 0.000 2.132 1091 K HA 0.097 4.417 4.320 0.000 0.000 0.240 1091 K C -1.740 174.723 176.600 -0.228 0.000 1.036 1091 K CA -1.425 54.718 56.287 -0.241 0.000 0.888 1091 K CB 0.237 32.602 32.500 -0.225 0.000 1.071 1091 K HN 0.451 nan 8.250 nan 0.000 0.502 1092 P HA -0.198 nan 4.420 nan 0.000 0.215 1092 P C 0.523 177.744 177.300 -0.133 0.000 1.153 1092 P CA 1.439 64.462 63.100 -0.129 0.000 0.853 1092 P CB 0.044 31.690 31.700 -0.090 0.000 0.788 1093 D N -1.868 118.445 120.400 -0.145 0.000 2.317 1093 D HA 0.004 4.644 4.640 0.000 0.000 0.211 1093 D C 1.500 177.698 176.300 -0.171 0.000 0.966 1093 D CA 1.316 55.245 54.000 -0.119 0.000 0.876 1093 D CB -0.756 39.992 40.800 -0.086 0.000 0.927 1093 D HN 0.311 nan 8.370 nan 0.000 0.519 1094 G N -0.584 108.040 108.800 -0.294 0.000 2.229 1094 G HA2 -0.198 3.762 3.960 0.000 0.000 0.189 1094 G HA3 -0.198 3.762 3.960 0.000 0.000 0.189 1094 G C 0.122 174.686 174.900 -0.560 0.000 1.000 1094 G CA -0.011 44.870 45.100 -0.365 0.000 0.663 1094 G HN 0.329 nan 8.290 nan 0.000 0.493 1095 V N 1.591 121.125 119.914 -0.634 0.000 2.740 1095 V HA 0.477 4.597 4.120 0.000 0.000 0.303 1095 V C 0.518 176.314 176.094 -0.496 0.000 1.054 1095 V CA 0.236 62.175 62.300 -0.601 0.000 1.106 1095 V CB 0.648 32.099 31.823 -0.622 0.000 0.957 1095 V HN 0.194 nan 8.190 nan 0.000 0.486 1096 F N 3.053 122.918 119.950 -0.140 0.000 2.410 1096 F HA 0.472 4.999 4.527 0.000 0.000 0.349 1096 F C 0.373 176.144 175.800 -0.048 0.000 1.117 1096 F CA -0.107 57.847 58.000 -0.076 0.000 1.104 1096 F CB 1.268 40.258 39.000 -0.016 0.000 1.122 1096 F HN 0.472 nan 8.300 nan 0.000 0.483 1097 Q N 2.308 122.168 119.800 0.100 0.000 2.274 1097 Q HA 0.371 4.711 4.340 0.000 0.000 0.260 1097 Q C -1.164 174.898 176.000 0.103 0.000 0.974 1097 Q CA -0.953 54.887 55.803 0.061 0.000 0.876 1097 Q CB 1.710 30.443 28.738 -0.009 0.000 1.297 1097 Q HN 0.567 nan 8.270 nan 0.000 0.446 1098 E N 2.132 122.394 120.200 0.104 0.000 2.174 1098 E HA 0.147 4.497 4.350 0.000 0.000 0.282 1098 E C -0.925 175.730 176.600 0.092 0.000 0.992 1098 E CA -0.066 56.409 56.400 0.125 0.000 0.803 1098 E CB 1.072 30.845 29.700 0.121 0.000 1.090 1098 E HN 0.640 nan 8.360 nan 0.000 0.396 1099 D N 3.119 123.586 120.400 0.112 0.000 2.433 1099 D HA 0.227 4.867 4.640 0.000 0.000 0.211 1099 D C -0.593 175.766 176.300 0.098 0.000 1.114 1099 D CA 0.172 54.227 54.000 0.091 0.000 0.837 1099 D CB 0.883 41.736 40.800 0.090 0.000 0.984 1099 D HN 0.349 nan 8.370 nan 0.000 0.505 1100 A N 1.872 124.762 122.820 0.117 0.000 3.124 1100 A HA 0.439 4.759 4.320 0.000 0.000 0.295 1100 A C -2.844 174.796 177.584 0.094 0.000 1.199 1100 A CA -0.913 51.185 52.037 0.101 0.000 0.845 1100 A CB 0.731 19.801 19.000 0.117 0.000 1.381 1100 A HN -0.217 nan 8.150 nan 0.000 0.537 1101 P HA 0.248 nan 4.420 nan 0.000 0.268 1101 P C 0.740 178.044 177.300 0.006 0.000 1.208 1101 P CA 0.003 63.118 63.100 0.025 0.000 0.777 1101 P CB 0.643 32.331 31.700 -0.020 0.000 0.875 1102 V N 1.269 121.168 119.914 -0.024 0.000 3.139 1102 V HA 0.018 4.138 4.120 0.000 0.000 0.307 1102 V C 1.442 177.499 176.094 -0.062 0.000 1.095 1102 V CA 0.283 62.561 62.300 -0.037 0.000 1.160 1102 V CB -0.412 31.362 31.823 -0.082 0.000 1.003 1102 V HN 0.573 nan 8.190 nan 0.000 0.489 1103 I N -1.205 119.346 120.570 -0.031 0.000 3.645 1103 I HA 0.231 4.401 4.170 0.000 0.000 0.300 1103 I C 1.183 177.226 176.117 -0.123 0.000 1.260 1103 I CA 0.259 61.525 61.300 -0.057 0.000 1.365 1103 I CB -0.381 37.599 38.000 -0.034 0.000 1.077 1103 I HN 0.640 nan 8.210 nan 0.000 0.439 1104 H N 3.908 122.913 119.070 -0.107 0.000 2.923 1104 H HA 0.231 4.787 4.556 0.000 0.000 0.251 1104 H C 0.453 175.660 175.328 -0.202 0.000 1.741 1104 H CA -0.112 55.867 56.048 -0.115 0.000 1.387 1104 H CB 0.646 30.345 29.762 -0.106 0.000 1.740 1104 H HN 0.409 nan 8.280 nan 0.000 0.544 1105 Q N 1.261 120.987 119.800 -0.124 0.000 2.500 1105 Q HA -0.120 4.220 4.340 0.000 0.000 0.213 1105 Q C 1.827 177.688 176.000 -0.231 0.000 0.974 1105 Q CA 0.675 56.358 55.803 -0.199 0.000 0.918 1105 Q CB 0.283 28.934 28.738 -0.144 0.000 0.980 1105 Q HN 0.748 nan 8.270 nan 0.000 0.505 1106 E N 0.155 120.227 120.200 -0.212 0.000 2.299 1106 E HA -0.143 4.207 4.350 0.000 0.000 0.193 1106 E C 1.785 178.221 176.600 -0.273 0.000 0.998 1106 E CA 0.576 56.809 56.400 -0.278 0.000 0.851 1106 E CB -0.387 28.978 29.700 -0.559 0.000 0.795 1106 E HN 0.496 nan 8.360 nan 0.000 0.492 1107 M N 0.715 120.147 119.600 -0.281 0.000 2.562 1107 M HA 0.148 4.628 4.480 0.000 0.000 0.257 1107 M C 2.104 178.153 176.300 -0.419 0.000 1.099 1107 M CA 0.935 56.075 55.300 -0.267 0.000 1.099 1107 M CB -0.603 31.886 32.600 -0.185 0.000 1.427 1107 M HN 0.124 nan 8.290 nan 0.000 0.489 1108 I N -2.095 118.061 120.570 -0.689 0.000 3.419 1108 I HA 0.425 4.595 4.170 0.000 0.000 0.286 1108 I C 1.326 177.185 176.117 -0.430 0.000 1.268 1108 I CA 0.339 61.100 61.300 -0.899 0.000 1.414 1108 I CB -0.789 36.389 38.000 -1.370 0.000 1.074 1108 I HN 0.472 nan 8.210 nan 0.000 0.457 1109 G N 1.936 110.553 108.800 -0.305 0.000 2.565 1109 G HA2 -0.373 3.587 3.960 0.000 0.000 0.295 1109 G HA3 -0.373 3.587 3.960 0.000 0.000 0.295 1109 G C 0.916 175.359 174.900 -0.762 0.000 1.165 1109 G CA 0.291 45.255 45.100 -0.227 0.000 0.977 1109 G HN 0.584 nan 8.290 nan 0.000 0.546 1110 G N -0.548 107.658 108.800 -0.989 0.000 2.598 1110 G HA2 0.247 4.207 3.960 0.000 0.000 0.215 1110 G HA3 0.247 4.207 3.960 0.000 0.000 0.215 1110 G C 1.724 175.797 174.900 -1.379 0.000 1.131 1110 G CA 1.387 45.328 45.100 -1.932 0.000 0.785 1110 G HN 0.635 nan 8.290 nan 0.000 0.539 1111 L N 0.156 120.967 121.223 -0.686 0.000 2.265 1111 L HA 0.096 4.436 4.340 0.000 0.000 0.215 1111 L C 2.655 179.293 176.870 -0.387 0.000 1.117 1111 L CA 0.969 55.586 54.840 -0.371 0.000 0.782 1111 L CB -0.348 41.530 42.059 -0.301 0.000 0.914 1111 L HN 0.177 nan 8.230 nan 0.000 0.441 1112 R N -0.190 120.027 120.500 -0.471 0.000 2.237 1112 R HA -0.098 4.242 4.340 0.000 0.000 0.219 1112 R C 0.922 177.095 176.300 -0.213 0.000 1.080 1112 R CA 0.034 55.949 56.100 -0.309 0.000 0.995 1112 R CB -0.175 29.983 30.300 -0.238 0.000 0.875 1112 R HN 0.383 nan 8.270 nan 0.000 0.462 1113 N N 0.877 119.419 118.700 -0.264 0.000 2.454 1113 N HA -0.134 4.606 4.740 0.000 0.000 0.254 1113 N C 0.397 175.848 175.510 -0.099 0.000 1.228 1113 N CA 0.304 53.268 53.050 -0.143 0.000 0.900 1113 N CB 0.893 39.286 38.487 -0.156 0.000 1.089 1113 N HN 0.114 nan 8.380 nan 0.000 0.449 1114 N N 3.055 121.722 118.700 -0.055 0.000 2.171 1114 N HA -0.071 4.669 4.740 0.000 0.000 0.184 1114 N C -0.177 175.320 175.510 -0.021 0.000 1.021 1114 N CA 0.979 54.007 53.050 -0.036 0.000 0.854 1114 N CB -0.039 38.435 38.487 -0.023 0.000 0.994 1114 N HN 0.534 nan 8.380 nan 0.000 0.426 1115 N N 1.429 120.121 118.700 -0.014 0.000 2.482 1115 N HA -0.017 4.723 4.740 0.000 0.000 0.260 1115 N C -0.506 175.012 175.510 0.013 0.000 1.236 1115 N CA 0.210 53.261 53.050 0.002 0.000 0.938 1115 N CB 0.461 38.951 38.487 0.005 0.000 1.128 1115 N HN 0.236 nan 8.380 nan 0.000 0.448 1116 E N -0.344 119.873 120.200 0.027 0.000 2.440 1116 E HA -0.278 4.072 4.350 0.000 0.000 0.246 1116 E C 0.790 177.429 176.600 0.066 0.000 1.165 1116 E CA 0.606 57.033 56.400 0.046 0.000 0.726 1116 E CB -0.813 28.907 29.700 0.034 0.000 1.271 1116 E HN 0.662 nan 8.360 nan 0.000 0.397 1117 K N -0.431 120.002 120.400 0.055 0.000 2.155 1117 K HA -0.147 4.173 4.320 0.000 0.000 0.203 1117 K C 1.207 177.865 176.600 0.097 0.000 1.052 1117 K CA 1.363 57.683 56.287 0.056 0.000 0.948 1117 K CB 0.212 32.726 32.500 0.023 0.000 0.728 1117 K HN 0.044 nan 8.250 nan 0.000 0.448 1118 D N 1.146 121.617 120.400 0.117 0.000 2.078 1118 D HA -0.136 4.504 4.640 0.000 0.000 0.193 1118 D C 2.112 178.560 176.300 0.246 0.000 0.990 1118 D CA 1.356 55.448 54.000 0.153 0.000 0.827 1118 D CB -0.080 40.828 40.800 0.181 0.000 0.975 1118 D HN 0.186 nan 8.370 nan 0.000 0.451 1119 M N 0.907 120.683 119.600 0.294 0.000 2.073 1119 M HA -0.171 4.309 4.480 0.000 0.000 0.258 1119 M C 2.419 178.834 176.300 0.191 0.000 1.070 1119 M CA 1.088 56.555 55.300 0.278 0.000 1.103 1119 M CB -1.199 31.469 32.600 0.113 0.000 1.321 1119 M HN -0.040 nan 8.290 nan 0.000 0.405 1120 A N 0.161 123.069 122.820 0.147 0.000 1.851 1120 A HA -0.204 4.116 4.320 0.000 0.000 0.216 1120 A C 2.192 179.888 177.584 0.187 0.000 1.195 1120 A CA 1.822 53.945 52.037 0.144 0.000 0.622 1120 A CB -1.097 18.003 19.000 0.166 0.000 0.831 1120 A HN 0.439 nan 8.150 nan 0.000 0.444 1121 L N -0.164 121.176 121.223 0.195 0.000 2.056 1121 L HA -0.088 4.252 4.340 0.000 0.000 0.207 1121 L C 2.447 179.483 176.870 0.277 0.000 1.078 1121 L CA 2.865 57.854 54.840 0.248 0.000 0.749 1121 L CB -1.366 40.816 42.059 0.206 0.000 0.901 1121 L HN 0.415 nan 8.230 nan 0.000 0.433 1122 T N 0.181 114.898 114.554 0.272 0.000 2.684 1122 T HA -0.198 4.152 4.350 0.000 0.000 0.267 1122 T C 1.923 176.765 174.700 0.237 0.000 1.036 1122 T CA 1.535 63.847 62.100 0.353 0.000 1.148 1122 T CB -0.640 68.423 68.868 0.325 0.000 0.863 1122 T HN 0.525 nan 8.240 nan 0.000 0.436 1123 A N 0.819 123.748 122.820 0.182 0.000 1.940 1123 A HA -0.044 4.276 4.320 0.000 0.000 0.219 1123 A C 2.017 179.619 177.584 0.030 0.000 1.176 1123 A CA 1.398 53.481 52.037 0.076 0.000 0.631 1123 A CB -0.912 18.102 19.000 0.024 0.000 0.814 1123 A HN 0.499 nan 8.150 nan 0.000 0.446 1124 F N 0.612 120.536 119.950 -0.042 0.000 2.084 1124 F HA -0.117 4.410 4.527 0.000 0.000 0.296 1124 F C 2.223 177.948 175.800 -0.124 0.000 1.111 1124 F CA 1.986 59.960 58.000 -0.043 0.000 1.224 1124 F CB -0.295 38.746 39.000 0.068 0.000 0.991 1124 F HN 0.019 nan 8.300 nan 0.000 0.471 1125 V N 0.652 120.461 119.914 -0.175 0.000 2.358 1125 V HA -0.258 3.862 4.120 0.000 0.000 0.246 1125 V C 2.354 178.114 176.094 -0.557 0.000 1.047 1125 V CA 1.577 63.565 62.300 -0.521 0.000 1.035 1125 V CB -0.935 30.367 31.823 -0.870 0.000 0.658 1125 V HN 0.453 nan 8.190 nan 0.000 0.452 1126 L N 0.258 121.265 121.223 -0.360 0.000 2.012 1126 L HA -0.175 4.165 4.340 0.000 0.000 0.210 1126 L C 2.185 178.936 176.870 -0.197 0.000 1.073 1126 L CA 1.950 56.687 54.840 -0.172 0.000 0.748 1126 L CB -0.591 41.467 42.059 -0.002 0.000 0.891 1126 L HN 0.227 nan 8.230 nan 0.000 0.431 1127 I N -1.013 119.420 120.570 -0.229 0.000 2.226 1127 I HA -0.316 3.854 4.170 0.000 0.000 0.245 1127 I C 2.360 178.346 176.117 -0.219 0.000 1.100 1127 I CA 1.460 62.632 61.300 -0.214 0.000 1.374 1127 I CB -0.407 37.517 38.000 -0.126 0.000 1.057 1127 I HN 0.257 nan 8.210 nan 0.000 0.413 1128 S N 0.939 116.435 115.700 -0.340 0.000 2.356 1128 S HA -0.139 4.331 4.470 0.000 0.000 0.223 1128 S C 1.999 176.474 174.600 -0.208 0.000 1.032 1128 S CA 1.220 59.230 58.200 -0.318 0.000 1.005 1128 S CB -0.470 62.451 63.200 -0.465 0.000 0.867 1128 S HN 0.332 nan 8.310 nan 0.000 0.449 1129 L N 1.238 122.335 121.223 -0.209 0.000 2.043 1129 L HA -0.226 4.114 4.340 0.000 0.000 0.212 1129 L C 2.821 179.640 176.870 -0.084 0.000 1.075 1129 L CA 1.453 56.219 54.840 -0.123 0.000 0.752 1129 L CB -0.566 41.434 42.059 -0.099 0.000 0.891 1129 L HN 0.382 nan 8.230 nan 0.000 0.432 1130 Q N -0.371 119.368 119.800 -0.101 0.000 2.123 1130 Q HA -0.191 4.149 4.340 0.000 0.000 0.199 1130 Q C 2.043 178.008 176.000 -0.060 0.000 0.966 1130 Q CA 1.203 56.957 55.803 -0.083 0.000 0.845 1130 Q CB 0.035 28.701 28.738 -0.120 0.000 0.907 1130 Q HN 0.508 nan 8.270 nan 0.000 0.439 1131 E N -0.085 120.080 120.200 -0.058 0.000 2.338 1131 E HA -0.085 4.265 4.350 0.000 0.000 0.197 1131 E C 1.034 177.629 176.600 -0.008 0.000 1.007 1131 E CA 0.745 57.136 56.400 -0.015 0.000 0.849 1131 E CB 0.178 29.885 29.700 0.012 0.000 0.774 1131 E HN 0.257 nan 8.360 nan 0.000 0.506 1132 A N 0.434 123.240 122.820 -0.024 0.000 2.430 1132 A HA 0.094 4.414 4.320 0.000 0.000 0.243 1132 A C 1.634 179.217 177.584 -0.002 0.000 1.254 1132 A CA -0.243 51.790 52.037 -0.006 0.000 0.914 1132 A CB 0.063 19.057 19.000 -0.011 0.000 0.998 1132 A HN -0.008 nan 8.150 nan 0.000 0.515 1133 K N 0.789 121.183 120.400 -0.011 0.000 2.009 1133 K HA -0.242 4.078 4.320 0.000 0.000 0.210 1133 K C 1.077 177.678 176.600 0.003 0.000 1.049 1133 K CA 2.241 58.524 56.287 -0.007 0.000 0.929 1133 K CB -0.188 32.302 32.500 -0.016 0.000 0.714 1133 K HN 0.403 nan 8.250 nan 0.000 0.440 1134 D N 0.610 121.012 120.400 0.004 0.000 2.123 1134 D HA -0.175 4.465 4.640 0.000 0.000 0.196 1134 D C 1.814 178.121 176.300 0.012 0.000 0.992 1134 D CA 1.481 55.486 54.000 0.008 0.000 0.833 1134 D CB -0.080 40.726 40.800 0.010 0.000 0.954 1134 D HN 0.291 nan 8.370 nan 0.000 0.455 1135 I N -0.103 120.476 120.570 0.015 0.000 2.394 1135 I HA -0.147 4.023 4.170 0.000 0.000 0.251 1135 I C 0.735 176.867 176.117 0.024 0.000 1.136 1135 I CA 0.626 61.938 61.300 0.020 0.000 1.425 1135 I CB 0.043 38.058 38.000 0.026 0.000 1.079 1135 I HN 0.094 nan 8.210 nan 0.000 0.425 1136 c N 0.500 119.114 118.600 0.023 0.000 2.513 1136 c HA 0.246 4.816 4.570 0.000 0.000 0.281 1136 c C 1.726 175.829 174.090 0.022 0.000 1.501 1136 c CA -0.662 55.684 56.329 0.028 0.000 1.749 1136 c CB -1.138 41.393 42.510 0.035 0.000 2.955 1136 c HN 0.400 nan 8.230 nan 0.000 0.532 1137 E N 1.237 121.447 120.200 0.017 0.000 2.079 1137 E HA -0.077 4.273 4.350 0.000 0.000 0.191 1137 E C 1.197 177.805 176.600 0.014 0.000 0.961 1137 E CA 0.644 57.052 56.400 0.014 0.000 0.823 1137 E CB 0.174 29.879 29.700 0.009 0.000 0.789 1137 E HN 0.379 nan 8.360 nan 0.000 0.459 1138 E N 0.593 120.801 120.200 0.014 0.000 2.424 1138 E HA -0.017 4.333 4.350 0.000 0.000 0.237 1138 E C 0.331 176.941 176.600 0.017 0.000 1.381 1138 E CA 0.333 56.742 56.400 0.014 0.000 1.587 1138 E CB -0.055 29.652 29.700 0.012 0.000 1.398 1138 E HN 0.181 nan 8.360 nan 0.000 0.439 1139 Q N -1.426 118.387 119.800 0.021 0.000 2.288 1139 Q HA 0.174 4.514 4.340 0.000 0.000 0.213 1139 Q C -0.570 175.448 176.000 0.030 0.000 0.724 1139 Q CA 0.162 55.981 55.803 0.026 0.000 0.902 1139 Q CB 1.395 30.152 28.738 0.031 0.000 1.286 1139 Q HN 0.081 nan 8.270 nan 0.000 0.458 1140 V N 2.647 122.579 119.914 0.029 0.000 2.315 1140 V HA 0.249 4.369 4.120 0.000 0.000 0.265 1140 V C -0.547 175.562 176.094 0.025 0.000 1.019 1140 V CA -0.568 61.751 62.300 0.033 0.000 0.824 1140 V CB 0.873 32.721 31.823 0.042 0.000 1.072 1140 V HN 0.241 nan 8.190 nan 0.000 0.448 1141 N N 2.932 121.644 118.700 0.020 0.000 2.434 1141 N HA 0.157 4.897 4.740 0.000 0.000 0.268 1141 N C 0.847 176.365 175.510 0.014 0.000 1.256 1141 N CA 1.071 54.130 53.050 0.014 0.000 0.914 1141 N CB 0.809 39.303 38.487 0.011 0.000 1.088 1141 N HN 0.963 nan 8.380 nan 0.000 0.478 1142 S N 0.811 116.518 115.700 0.012 0.000 1.382 1142 S HA -0.187 4.283 4.470 0.000 0.000 0.250 1142 S C 0.942 175.552 174.600 0.016 0.000 0.680 1142 S CA -0.146 58.060 58.200 0.010 0.000 0.978 1142 S CB -0.858 62.348 63.200 0.011 0.000 0.958 1142 S HN 0.309 nan 8.310 nan 0.000 0.493 1143 L N 4.251 125.488 121.223 0.023 0.000 1.990 1143 L HA 0.264 4.604 4.340 0.000 0.000 0.213 1143 L C -2.185 174.698 176.870 0.021 0.000 1.072 1143 L CA 2.503 57.360 54.840 0.029 0.000 0.755 1143 L CB -1.643 40.430 42.059 0.025 0.000 0.889 1143 L HN 0.364 nan 8.230 nan 0.000 0.432 1144 P HA 0.307 nan 4.420 nan 0.000 0.276 1144 P C 0.502 177.804 177.300 0.004 0.000 1.235 1144 P CA 1.003 64.106 63.100 0.005 0.000 0.772 1144 P CB 0.886 32.587 31.700 0.001 0.000 0.871 1145 G N 2.359 111.161 108.800 0.002 0.000 2.475 1145 G HA2 -0.323 3.637 3.960 0.000 0.000 0.209 1145 G HA3 -0.323 3.637 3.960 0.000 0.000 0.209 1145 G C 1.541 176.439 174.900 -0.004 0.000 1.127 1145 G CA 0.509 45.607 45.100 -0.003 0.000 0.681 1145 G HN 0.536 nan 8.290 nan 0.000 0.517 1146 S N 0.569 116.274 115.700 0.008 0.000 2.368 1146 S HA 0.086 4.556 4.470 0.000 0.000 0.224 1146 S C 2.463 177.101 174.600 0.062 0.000 1.029 1146 S CA 1.765 59.977 58.200 0.020 0.000 0.988 1146 S CB -0.342 62.894 63.200 0.060 0.000 0.838 1146 S HN 0.547 nan 8.310 nan 0.000 0.462 1147 I N 1.181 121.788 120.570 0.062 0.000 2.151 1147 I HA -0.208 3.962 4.170 0.000 0.000 0.243 1147 I C 2.610 178.750 176.117 0.037 0.000 1.080 1147 I CA 1.737 63.070 61.300 0.055 0.000 1.339 1147 I CB -0.841 37.168 38.000 0.016 0.000 1.039 1147 I HN 0.350 nan 8.210 nan 0.000 0.409 1148 T N 0.303 114.866 114.554 0.016 0.000 2.708 1148 T HA -0.162 4.188 4.350 0.000 0.000 0.266 1148 T C 2.019 176.727 174.700 0.014 0.000 1.037 1148 T CA 0.986 63.090 62.100 0.007 0.000 1.146 1148 T CB -0.128 68.738 68.868 -0.003 0.000 0.865 1148 T HN 0.127 nan 8.240 nan 0.000 0.435 1149 K N 1.310 121.710 120.400 -0.000 0.000 2.063 1149 K HA 0.063 4.383 4.320 0.000 0.000 0.208 1149 K C 2.539 179.140 176.600 0.001 0.000 1.048 1149 K CA 1.379 57.655 56.287 -0.017 0.000 0.928 1149 K CB -0.693 31.766 32.500 -0.067 0.000 0.713 1149 K HN 0.353 nan 8.250 nan 0.000 0.442 1150 A N 0.352 123.179 122.820 0.011 0.000 1.930 1150 A HA -0.066 4.254 4.320 0.000 0.000 0.217 1150 A C 2.406 180.084 177.584 0.156 0.000 1.175 1150 A CA 2.015 54.104 52.037 0.086 0.000 0.627 1150 A CB -0.918 18.220 19.000 0.229 0.000 0.815 1150 A HN 0.404 nan 8.150 nan 0.000 0.443 1151 G N -0.131 108.726 108.800 0.095 0.000 2.422 1151 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 1151 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 1151 G C 1.067 176.003 174.900 0.061 0.000 1.146 1151 G CA 1.201 46.338 45.100 0.062 0.000 0.769 1151 G HN 0.456 nan 8.290 nan 0.000 0.547 1152 D N -0.039 120.401 120.400 0.067 0.000 2.149 1152 D HA -0.115 4.525 4.640 0.000 0.000 0.198 1152 D C 1.891 178.247 176.300 0.093 0.000 0.990 1152 D CA 0.585 54.620 54.000 0.058 0.000 0.839 1152 D CB -0.351 40.481 40.800 0.053 0.000 0.948 1152 D HN 0.357 nan 8.370 nan 0.000 0.460 1153 F N 1.031 120.979 119.950 -0.003 0.000 2.163 1153 F HA -0.024 4.503 4.527 0.000 0.000 0.297 1153 F C 2.028 177.850 175.800 0.037 0.000 1.094 1153 F CA 0.833 58.838 58.000 0.008 0.000 1.290 1153 F CB -0.188 38.809 39.000 -0.004 0.000 1.017 1153 F HN -0.135 nan 8.300 nan 0.000 0.483 1154 L N 0.336 121.612 121.223 0.088 0.000 1.970 1154 L HA -0.263 4.077 4.340 0.000 0.000 0.212 1154 L C 2.570 179.439 176.870 -0.002 0.000 1.071 1154 L CA 2.177 57.033 54.840 0.027 0.000 0.751 1154 L CB -1.073 41.064 42.059 0.130 0.000 0.889 1154 L HN 0.245 nan 8.230 nan 0.000 0.432 1155 E N 0.178 120.372 120.200 -0.011 0.000 2.065 1155 E HA -0.315 4.035 4.350 0.000 0.000 0.201 1155 E C 2.128 178.703 176.600 -0.042 0.000 1.016 1155 E CA 1.603 57.973 56.400 -0.049 0.000 0.818 1155 E CB -0.057 29.601 29.700 -0.070 0.000 0.749 1155 E HN 0.461 nan 8.360 nan 0.000 0.453 1156 A N 1.183 123.949 122.820 -0.089 0.000 1.859 1156 A HA -0.266 4.054 4.320 0.000 0.000 0.218 1156 A C 1.879 179.373 177.584 -0.149 0.000 1.209 1156 A CA 2.288 54.257 52.037 -0.113 0.000 0.639 1156 A CB -0.895 18.030 19.000 -0.124 0.000 0.835 1156 A HN 0.351 nan 8.150 nan 0.000 0.450 1157 N N -2.138 116.374 118.700 -0.312 0.000 2.461 1157 N HA 0.075 4.815 4.740 0.000 0.000 0.188 1157 N C 1.046 176.476 175.510 -0.133 0.000 1.134 1157 N CA 0.337 53.218 53.050 -0.282 0.000 0.878 1157 N CB -0.349 37.823 38.487 -0.525 0.000 0.972 1157 N HN 0.645 nan 8.380 nan 0.000 0.456 1158 Y N 1.004 121.199 120.300 -0.175 0.000 2.097 1158 Y HA -0.209 4.341 4.550 0.000 0.000 0.282 1158 Y C 2.012 177.880 175.900 -0.053 0.000 1.152 1158 Y CA 1.547 59.587 58.100 -0.099 0.000 1.136 1158 Y CB 0.041 38.453 38.460 -0.080 0.000 0.975 1158 Y HN 0.029 nan 8.280 nan 0.000 0.498 1159 M N 0.173 119.883 119.600 0.184 0.000 2.267 1159 M HA -0.213 4.267 4.480 0.000 0.000 0.263 1159 M C 0.878 177.197 176.300 0.032 0.000 1.063 1159 M CA 1.345 56.726 55.300 0.135 0.000 1.090 1159 M CB -0.906 31.749 32.600 0.090 0.000 1.392 1159 M HN 0.358 nan 8.290 nan 0.000 0.422 1160 N N 0.379 119.070 118.700 -0.015 0.000 2.270 1160 N HA 0.194 4.934 4.740 0.000 0.000 0.198 1160 N C 0.151 175.627 175.510 -0.057 0.000 1.117 1160 N CA 0.044 53.076 53.050 -0.031 0.000 0.845 1160 N CB 0.445 38.914 38.487 -0.029 0.000 0.980 1160 N HN 0.342 nan 8.380 nan 0.000 0.486 1161 L N 0.902 122.060 121.223 -0.109 0.000 2.485 1161 L HA -0.015 4.325 4.340 0.000 0.000 0.275 1161 L C 1.488 178.312 176.870 -0.076 0.000 1.207 1161 L CA 0.467 55.228 54.840 -0.131 0.000 0.855 1161 L CB 0.702 42.595 42.059 -0.276 0.000 1.114 1161 L HN 0.048 nan 8.230 nan 0.000 0.485 1162 Q N 1.707 121.481 119.800 -0.043 0.000 2.471 1162 Q HA 0.206 4.546 4.340 0.000 0.000 0.259 1162 Q C 0.124 176.127 176.000 0.006 0.000 0.850 1162 Q CA -0.192 55.602 55.803 -0.015 0.000 0.981 1162 Q CB 0.707 29.440 28.738 -0.009 0.000 1.180 1162 Q HN 0.518 nan 8.270 nan 0.000 0.571 1163 R N 0.796 121.308 120.500 0.020 0.000 2.490 1163 R HA 0.216 4.556 4.340 0.000 0.000 0.280 1163 R C 0.766 177.121 176.300 0.093 0.000 1.077 1163 R CA -0.028 56.110 56.100 0.062 0.000 1.065 1163 R CB 0.990 31.339 30.300 0.082 0.000 1.003 1163 R HN 0.073 nan 8.270 nan 0.000 0.470 1164 S N 1.810 117.593 115.700 0.139 0.000 2.383 1164 S HA -0.171 4.299 4.470 0.000 0.000 0.227 1164 S C 1.534 176.291 174.600 0.260 0.000 1.026 1164 S CA 0.887 59.216 58.200 0.215 0.000 0.981 1164 S CB -0.270 63.061 63.200 0.218 0.000 0.818 1164 S HN 0.663 nan 8.310 nan 0.000 0.472 1165 Y N 2.970 123.344 120.300 0.123 0.000 2.081 1165 Y HA -0.279 4.271 4.550 0.000 0.000 0.280 1165 Y C 2.509 178.432 175.900 0.038 0.000 1.163 1165 Y CA 2.162 60.317 58.100 0.093 0.000 1.135 1165 Y CB -1.056 37.430 38.460 0.043 0.000 0.970 1165 Y HN 0.219 nan 8.280 nan 0.000 0.498 1166 T N -0.356 114.266 114.554 0.114 0.000 2.720 1166 T HA -0.200 4.150 4.350 0.000 0.000 0.268 1166 T C 2.058 176.682 174.700 -0.127 0.000 1.037 1166 T CA 1.634 63.718 62.100 -0.027 0.000 1.144 1166 T CB -0.920 67.957 68.868 0.014 0.000 0.864 1166 T HN 0.241 nan 8.240 nan 0.000 0.444 1167 V N 1.768 121.641 119.914 -0.068 0.000 2.287 1167 V HA -0.212 3.908 4.120 0.000 0.000 0.248 1167 V C 2.925 179.072 176.094 0.088 0.000 1.053 1167 V CA 1.866 64.136 62.300 -0.049 0.000 1.027 1167 V CB -1.252 30.672 31.823 0.167 0.000 0.646 1167 V HN 0.575 nan 8.190 nan 0.000 0.447 1168 A N -0.532 122.311 122.820 0.039 0.000 1.873 1168 A HA -0.154 4.166 4.320 0.000 0.000 0.215 1168 A C 2.250 179.724 177.584 -0.183 0.000 1.186 1168 A CA 1.913 53.901 52.037 -0.080 0.000 0.616 1168 A CB -0.528 18.343 19.000 -0.216 0.000 0.823 1168 A HN 0.482 nan 8.150 nan 0.000 0.442 1169 I N -0.562 119.784 120.570 -0.374 0.000 2.226 1169 I HA -0.217 3.953 4.170 0.000 0.000 0.245 1169 I C 2.640 178.594 176.117 -0.270 0.000 1.100 1169 I CA 1.286 62.234 61.300 -0.586 0.000 1.374 1169 I CB -0.104 37.384 38.000 -0.852 0.000 1.057 1169 I HN 0.330 nan 8.210 nan 0.000 0.413 1170 A N 0.323 123.060 122.820 -0.138 0.000 1.930 1170 A HA -0.061 4.259 4.320 0.000 0.000 0.217 1170 A C 2.314 179.939 177.584 0.068 0.000 1.175 1170 A CA 1.450 53.497 52.037 0.016 0.000 0.627 1170 A CB -1.384 17.663 19.000 0.078 0.000 0.815 1170 A HN 0.512 nan 8.150 nan 0.000 0.443 1171 G N -1.391 107.434 108.800 0.042 0.000 2.421 1171 G HA2 -0.276 3.684 3.960 0.000 0.000 0.216 1171 G HA3 -0.276 3.684 3.960 0.000 0.000 0.216 1171 G C 1.557 176.272 174.900 -0.309 0.000 1.171 1171 G CA 1.282 46.236 45.100 -0.244 0.000 0.775 1171 G HN 0.542 nan 8.290 nan 0.000 0.543 1172 Y N 2.248 122.352 120.300 -0.328 0.000 2.181 1172 Y HA -0.005 4.545 4.550 0.000 0.000 0.288 1172 Y C 2.880 178.689 175.900 -0.151 0.000 1.146 1172 Y CA 1.066 59.040 58.100 -0.210 0.000 1.164 1172 Y CB -0.701 37.715 38.460 -0.072 0.000 0.982 1172 Y HN 0.259 nan 8.280 nan 0.000 0.515 1173 A N 0.497 123.167 122.820 -0.250 0.000 1.865 1173 A HA -0.206 4.114 4.320 0.000 0.000 0.217 1173 A C 2.420 179.860 177.584 -0.240 0.000 1.191 1173 A CA 2.140 54.006 52.037 -0.284 0.000 0.623 1173 A CB -1.272 17.644 19.000 -0.140 0.000 0.826 1173 A HN 0.542 nan 8.150 nan 0.000 0.444 1174 L N -0.938 120.173 121.223 -0.186 0.000 2.056 1174 L HA -0.175 4.165 4.340 0.000 0.000 0.207 1174 L C 3.101 179.845 176.870 -0.209 0.000 1.078 1174 L CA 0.969 55.697 54.840 -0.186 0.000 0.749 1174 L CB -0.537 41.387 42.059 -0.225 0.000 0.901 1174 L HN 0.455 nan 8.230 nan 0.000 0.433 1175 A N -0.577 122.098 122.820 -0.242 0.000 1.978 1175 A HA -0.266 4.054 4.320 0.000 0.000 0.220 1175 A C 2.166 179.646 177.584 -0.175 0.000 1.170 1175 A CA 1.536 53.452 52.037 -0.203 0.000 0.636 1175 A CB -0.473 18.415 19.000 -0.187 0.000 0.810 1175 A HN 0.503 nan 8.150 nan 0.000 0.448 1176 Q N -1.266 118.386 119.800 -0.247 0.000 2.364 1176 Q HA -0.019 4.321 4.340 0.000 0.000 0.209 1176 Q C 1.441 177.354 176.000 -0.144 0.000 0.977 1176 Q CA 1.223 56.892 55.803 -0.223 0.000 0.885 1176 Q CB -0.171 28.362 28.738 -0.342 0.000 0.941 1176 Q HN 0.782 nan 8.270 nan 0.000 0.464 1177 M N -1.662 117.857 119.600 -0.135 0.000 2.371 1177 M HA 0.215 4.695 4.480 0.000 0.000 0.246 1177 M C 0.893 177.142 176.300 -0.084 0.000 1.103 1177 M CA 0.345 55.588 55.300 -0.096 0.000 1.010 1177 M CB 0.952 33.499 32.600 -0.088 0.000 1.457 1177 M HN 0.218 nan 8.290 nan 0.000 0.486 1178 G N 1.875 110.618 108.800 -0.094 0.000 2.168 1178 G HA2 -0.300 3.660 3.960 0.000 0.000 0.257 1178 G HA3 -0.300 3.660 3.960 0.000 0.000 0.257 1178 G C 0.711 175.556 174.900 -0.092 0.000 0.997 1178 G CA 0.373 45.423 45.100 -0.082 0.000 0.708 1178 G HN 0.549 nan 8.290 nan 0.000 0.520 1179 R N -1.138 119.293 120.500 -0.116 0.000 2.466 1179 R HA 0.325 4.665 4.340 0.000 0.000 0.279 1179 R C 0.654 176.849 176.300 -0.175 0.000 0.976 1179 R CA -0.351 55.675 56.100 -0.124 0.000 1.081 1179 R CB 0.337 30.570 30.300 -0.113 0.000 1.215 1179 R HN 0.279 nan 8.270 nan 0.000 0.546 1180 L N 1.738 122.846 121.223 -0.191 0.000 2.449 1180 L HA 0.250 4.591 4.340 0.000 0.000 0.255 1180 L C -0.741 176.040 176.870 -0.147 0.000 1.167 1180 L CA 0.074 54.771 54.840 -0.238 0.000 1.090 1180 L CB 0.051 41.936 42.059 -0.291 0.000 1.385 1180 L HN -0.242 nan 8.230 nan 0.000 0.411 1181 K N 1.983 122.307 120.400 -0.126 0.000 2.345 1181 K HA 0.707 5.027 4.320 0.000 0.000 0.255 1181 K C 0.531 177.094 176.600 -0.061 0.000 0.934 1181 K CA 0.315 56.558 56.287 -0.075 0.000 0.801 1181 K CB 1.659 34.121 32.500 -0.063 0.000 1.137 1181 K HN 0.541 nan 8.250 nan 0.000 0.424 1182 G N 6.341 115.121 108.800 -0.032 0.000 2.609 1182 G HA2 -0.295 3.665 3.960 0.000 0.000 0.288 1182 G HA3 -0.295 3.665 3.960 0.000 0.000 0.288 1182 G C -1.701 173.193 174.900 -0.010 0.000 1.211 1182 G CA 0.164 45.254 45.100 -0.018 0.000 0.963 1182 G HN 0.509 nan 8.290 nan 0.000 0.541 1183 P HA 0.165 nan 4.420 nan 0.000 0.220 1183 P C 2.178 179.489 177.300 0.018 0.000 1.152 1183 P CA 1.101 64.204 63.100 0.006 0.000 0.812 1183 P CB -0.064 31.638 31.700 0.003 0.000 0.792 1184 L N -1.116 120.082 121.223 -0.041 0.000 2.023 1184 L HA -0.079 4.261 4.340 0.000 0.000 0.205 1184 L C 2.362 179.220 176.870 -0.019 0.000 1.073 1184 L CA 1.399 56.173 54.840 -0.110 0.000 0.745 1184 L CB -1.854 39.969 42.059 -0.394 0.000 0.900 1184 L HN -0.084 nan 8.230 nan 0.000 0.435 1185 L N -0.130 121.076 121.223 -0.028 0.000 2.079 1185 L HA -0.252 4.088 4.340 0.000 0.000 0.210 1185 L C 2.196 179.155 176.870 0.147 0.000 1.081 1185 L CA 1.754 56.645 54.840 0.085 0.000 0.752 1185 L CB -0.966 41.110 42.059 0.028 0.000 0.896 1185 L HN 0.483 nan 8.230 nan 0.000 0.433 1186 N N -0.754 117.995 118.700 0.082 0.000 2.058 1186 N HA -0.290 4.450 4.740 0.000 0.000 0.191 1186 N C 2.056 177.618 175.510 0.087 0.000 1.037 1186 N CA 1.369 54.455 53.050 0.061 0.000 0.848 1186 N CB -0.134 38.376 38.487 0.039 0.000 1.021 1186 N HN 0.370 nan 8.380 nan 0.000 0.422 1187 K N -0.036 120.448 120.400 0.140 0.000 2.063 1187 K HA -0.218 4.102 4.320 0.000 0.000 0.208 1187 K C 2.039 178.788 176.600 0.248 0.000 1.048 1187 K CA 1.328 57.721 56.287 0.175 0.000 0.928 1187 K CB -0.400 32.241 32.500 0.235 0.000 0.713 1187 K HN 0.201 nan 8.250 nan 0.000 0.442 1188 F N 1.807 121.889 119.950 0.220 0.000 2.043 1188 F HA -0.254 4.273 4.527 0.000 0.000 0.297 1188 F C 1.664 177.623 175.800 0.265 0.000 1.118 1188 F CA 1.779 59.954 58.000 0.292 0.000 1.202 1188 F CB -0.659 38.470 39.000 0.215 0.000 0.965 1188 F HN -0.001 nan 8.300 nan 0.000 0.482 1189 L N -0.044 121.054 121.223 -0.209 0.000 2.027 1189 L HA -0.209 4.131 4.340 0.000 0.000 0.206 1189 L C 2.584 179.254 176.870 -0.333 0.000 1.074 1189 L CA 1.967 56.517 54.840 -0.483 0.000 0.745 1189 L CB -1.325 40.490 42.059 -0.406 0.000 0.898 1189 L HN 0.374 nan 8.230 nan 0.000 0.433 1190 T N -4.864 109.595 114.554 -0.158 0.000 3.007 1190 T HA -0.127 4.223 4.350 0.000 0.000 0.270 1190 T C 1.661 176.256 174.700 -0.176 0.000 1.107 1190 T CA 1.387 63.411 62.100 -0.126 0.000 1.118 1190 T CB -0.607 68.229 68.868 -0.053 0.000 0.889 1190 T HN 0.224 nan 8.240 nan 0.000 0.506 1191 T N 2.149 116.589 114.554 -0.191 0.000 2.915 1191 T HA 0.282 4.632 4.350 0.000 0.000 0.269 1191 T C 1.217 175.620 174.700 -0.496 0.000 1.071 1191 T CA 0.665 62.638 62.100 -0.212 0.000 1.132 1191 T CB -0.573 68.285 68.868 -0.016 0.000 0.878 1191 T HN 0.751 nan 8.240 nan 0.000 0.479 1192 A N 1.756 124.043 122.820 -0.888 0.000 2.511 1192 A HA 0.272 4.592 4.320 0.000 0.000 0.242 1192 A C 0.328 177.546 177.584 -0.610 0.000 1.069 1192 A CA -0.069 51.238 52.037 -1.218 0.000 0.763 1192 A CB 0.011 18.095 19.000 -1.527 0.000 1.001 1192 A HN 0.344 nan 8.150 nan 0.000 0.498 1193 K N 1.884 121.965 120.400 -0.531 0.000 2.248 1193 K HA 0.228 4.548 4.320 0.000 0.000 0.281 1193 K C -0.688 175.717 176.600 -0.324 0.000 1.054 1193 K CA -0.263 55.818 56.287 -0.343 0.000 0.903 1193 K CB 0.233 32.564 32.500 -0.282 0.000 1.077 1193 K HN 0.733 nan 8.250 nan 0.000 0.474 1194 D N 4.289 124.547 120.400 -0.238 0.000 2.751 1194 D HA -0.203 4.437 4.640 0.000 0.000 0.233 1194 D C -0.583 175.564 176.300 -0.255 0.000 1.149 1194 D CA 1.039 54.918 54.000 -0.202 0.000 0.682 1194 D CB -0.662 40.041 40.800 -0.161 0.000 1.068 1194 D HN 0.870 nan 8.370 nan 0.000 0.429 1195 K N -2.045 118.184 120.400 -0.285 0.000 3.048 1195 K HA -0.344 3.976 4.320 0.000 0.000 0.274 1195 K C 0.955 177.265 176.600 -0.483 0.000 1.098 1195 K CA 1.672 57.736 56.287 -0.372 0.000 0.807 1195 K CB -1.368 30.830 32.500 -0.504 0.000 1.217 1195 K HN 0.694 nan 8.250 nan 0.000 0.477 1196 N N -0.355 118.133 118.700 -0.353 0.000 2.486 1196 N HA -0.026 4.714 4.740 0.000 0.000 0.242 1196 N C 0.221 175.601 175.510 -0.216 0.000 1.083 1196 N CA -0.351 52.569 53.050 -0.217 0.000 0.844 1196 N CB 0.367 38.759 38.487 -0.157 0.000 1.527 1196 N HN 0.279 nan 8.380 nan 0.000 0.462 1197 R N -1.092 119.083 120.500 -0.542 0.000 2.892 1197 R HA 0.358 4.698 4.340 0.000 0.000 0.265 1197 R C -1.271 174.806 176.300 -0.371 0.000 1.025 1197 R CA -0.796 54.917 56.100 -0.646 0.000 0.982 1197 R CB 1.143 30.476 30.300 -1.612 0.000 1.185 1197 R HN 0.086 nan 8.270 nan 0.000 0.484 1198 W N 2.517 123.638 121.300 -0.299 0.000 2.394 1198 W HA 0.219 4.879 4.660 0.000 0.000 0.312 1198 W C -0.489 175.978 176.519 -0.087 0.000 0.981 1198 W CA -0.370 56.895 57.345 -0.133 0.000 1.519 1198 W CB 1.412 30.858 29.460 -0.023 0.000 1.304 1198 W HN 0.775 nan 8.180 nan 0.000 0.412 1199 E N 1.332 121.538 120.200 0.009 0.000 2.299 1199 E HA 0.617 4.967 4.350 0.000 0.000 0.260 1199 E C -0.977 175.662 176.600 0.065 0.000 0.944 1199 E CA -0.741 55.685 56.400 0.043 0.000 0.815 1199 E CB 2.532 32.211 29.700 -0.035 0.000 1.252 1199 E HN -0.030 nan 8.360 nan 0.000 0.418 1200 D N 0.838 121.291 120.400 0.089 0.000 2.753 1200 D HA 0.262 4.902 4.640 0.000 0.000 0.224 1200 D C -2.563 173.771 176.300 0.057 0.000 1.213 1200 D CA -1.393 52.653 54.000 0.076 0.000 0.833 1200 D CB 1.969 42.837 40.800 0.114 0.000 1.607 1200 D HN 0.316 nan 8.370 nan 0.000 0.463 1201 P HA 0.287 nan 4.420 nan 0.000 0.260 1201 P C 0.233 177.543 177.300 0.018 0.000 1.185 1201 P CA 0.436 63.547 63.100 0.018 0.000 0.763 1201 P CB 0.530 32.236 31.700 0.010 0.000 0.776 1202 G N 2.535 111.330 108.800 -0.008 0.000 2.302 1202 G HA2 -0.050 3.910 3.960 0.000 0.000 0.276 1202 G HA3 -0.050 3.910 3.960 0.000 0.000 0.276 1202 G C -1.309 173.516 174.900 -0.126 0.000 1.316 1202 G CA -1.055 44.013 45.100 -0.053 0.000 0.988 1202 G HN 0.427 nan 8.290 nan 0.000 0.479 1203 K N 0.807 121.030 120.400 -0.296 0.000 2.504 1203 K HA 0.059 4.379 4.320 0.000 0.000 0.278 1203 K C 1.456 177.870 176.600 -0.309 0.000 1.025 1203 K CA 0.554 56.584 56.287 -0.428 0.000 1.093 1203 K CB 0.461 32.440 32.500 -0.869 0.000 0.873 1203 K HN 0.514 nan 8.250 nan 0.000 0.483 1204 Q N 2.353 122.051 119.800 -0.171 0.000 2.432 1204 Q HA -0.059 4.281 4.340 0.000 0.000 0.205 1204 Q C 1.497 177.452 176.000 -0.075 0.000 0.945 1204 Q CA 0.579 56.347 55.803 -0.057 0.000 0.924 1204 Q CB 0.067 28.791 28.738 -0.024 0.000 1.016 1204 Q HN 0.653 nan 8.270 nan 0.000 0.503 1205 L N -0.198 120.923 121.223 -0.170 0.000 2.046 1205 L HA -0.216 4.124 4.340 0.000 0.000 0.208 1205 L C 2.017 178.934 176.870 0.078 0.000 1.077 1205 L CA 1.135 55.877 54.840 -0.163 0.000 0.747 1205 L CB -0.436 41.535 42.059 -0.148 0.000 0.896 1205 L HN 0.227 nan 8.230 nan 0.000 0.432 1206 Y N 0.152 120.437 120.300 -0.025 0.000 2.224 1206 Y HA -0.200 4.350 4.550 0.000 0.000 0.289 1206 Y C 2.552 178.548 175.900 0.159 0.000 1.146 1206 Y CA 0.581 58.700 58.100 0.033 0.000 1.182 1206 Y CB -1.089 37.334 38.460 -0.061 0.000 0.983 1206 Y HN 0.339 nan 8.280 nan 0.000 0.524 1207 N N -0.203 118.670 118.700 0.287 0.000 2.171 1207 N HA -0.109 4.631 4.740 0.000 0.000 0.184 1207 N C 2.046 177.753 175.510 0.328 0.000 1.021 1207 N CA 1.249 54.469 53.050 0.284 0.000 0.854 1207 N CB -0.682 37.955 38.487 0.249 0.000 0.994 1207 N HN 0.193 nan 8.380 nan 0.000 0.426 1208 V N 1.632 121.695 119.914 0.248 0.000 2.490 1208 V HA -0.174 3.946 4.120 0.000 0.000 0.250 1208 V C 2.390 178.568 176.094 0.141 0.000 1.061 1208 V CA 1.458 63.857 62.300 0.165 0.000 1.064 1208 V CB -0.469 31.251 31.823 -0.172 0.000 0.670 1208 V HN 0.349 nan 8.190 nan 0.000 0.461 1209 E N 0.398 120.707 120.200 0.182 0.000 2.028 1209 E HA -0.198 4.152 4.350 0.000 0.000 0.191 1209 E C 2.320 179.079 176.600 0.265 0.000 0.988 1209 E CA 1.292 57.826 56.400 0.224 0.000 0.799 1209 E CB -0.246 29.677 29.700 0.372 0.000 0.755 1209 E HN 0.525 nan 8.360 nan 0.000 0.447 1210 A N 0.268 123.309 122.820 0.369 0.000 1.908 1210 A HA -0.193 4.127 4.320 0.000 0.000 0.218 1210 A C 2.380 180.056 177.584 0.153 0.000 1.181 1210 A CA 2.203 54.407 52.037 0.279 0.000 0.627 1210 A CB -1.019 18.199 19.000 0.362 0.000 0.818 1210 A HN 0.346 nan 8.150 nan 0.000 0.445 1211 T N -0.164 114.512 114.554 0.203 0.000 2.867 1211 T HA -0.060 4.290 4.350 0.000 0.000 0.268 1211 T C 2.194 176.924 174.700 0.050 0.000 1.057 1211 T CA 1.485 63.693 62.100 0.180 0.000 1.136 1211 T CB -0.204 68.857 68.868 0.322 0.000 0.874 1211 T HN 0.499 nan 8.240 nan 0.000 0.466 1212 S N 0.408 116.120 115.700 0.020 0.000 2.371 1212 S HA -0.031 4.439 4.470 0.000 0.000 0.224 1212 S C 1.698 176.169 174.600 -0.216 0.000 1.029 1212 S CA 0.738 58.876 58.200 -0.102 0.000 0.978 1212 S CB -0.412 62.696 63.200 -0.152 0.000 0.833 1212 S HN 0.479 nan 8.310 nan 0.000 0.466 1213 Y N 2.067 122.257 120.300 -0.183 0.000 2.181 1213 Y HA -0.117 4.433 4.550 0.000 0.000 0.288 1213 Y C 2.643 178.328 175.900 -0.358 0.000 1.146 1213 Y CA 0.475 58.388 58.100 -0.312 0.000 1.164 1213 Y CB -0.964 37.374 38.460 -0.203 0.000 0.982 1213 Y HN 0.259 nan 8.280 nan 0.000 0.515 1214 A N -0.191 122.489 122.820 -0.233 0.000 1.858 1214 A HA -0.204 4.116 4.320 0.000 0.000 0.216 1214 A C 2.220 179.651 177.584 -0.255 0.000 1.190 1214 A CA 1.769 53.503 52.037 -0.505 0.000 0.617 1214 A CB -1.200 16.958 19.000 -1.403 0.000 0.827 1214 A HN 0.406 nan 8.150 nan 0.000 0.443 1215 L N -0.231 120.898 121.223 -0.156 0.000 2.042 1215 L HA -0.130 4.210 4.340 0.000 0.000 0.210 1215 L C 2.230 179.069 176.870 -0.051 0.000 1.076 1215 L CA 1.788 56.611 54.840 -0.027 0.000 0.749 1215 L CB -0.648 41.418 42.059 0.010 0.000 0.893 1215 L HN 0.395 nan 8.230 nan 0.000 0.432 1216 L N -0.776 120.336 121.223 -0.185 0.000 2.191 1216 L HA -0.149 4.191 4.340 0.000 0.000 0.212 1216 L C 2.574 179.400 176.870 -0.073 0.000 1.103 1216 L CA 1.015 55.693 54.840 -0.270 0.000 0.769 1216 L CB -0.715 40.859 42.059 -0.809 0.000 0.908 1216 L HN 0.407 nan 8.230 nan 0.000 0.438 1217 A N -0.073 122.727 122.820 -0.032 0.000 1.897 1217 A HA -0.103 4.217 4.320 0.000 0.000 0.215 1217 A C 2.207 179.810 177.584 0.032 0.000 1.181 1217 A CA 1.010 53.089 52.037 0.070 0.000 0.620 1217 A CB -0.537 18.370 19.000 -0.155 0.000 0.821 1217 A HN 0.304 nan 8.150 nan 0.000 0.443 1218 L N -0.521 120.743 121.223 0.068 0.000 1.989 1218 L HA -0.226 4.114 4.340 0.000 0.000 0.211 1218 L C 2.582 179.412 176.870 -0.066 0.000 1.071 1218 L CA 1.412 56.290 54.840 0.064 0.000 0.749 1218 L CB -0.689 41.448 42.059 0.130 0.000 0.890 1218 L HN 0.361 nan 8.230 nan 0.000 0.431 1219 L N -0.731 120.459 121.223 -0.055 0.000 2.079 1219 L HA -0.258 4.082 4.340 0.000 0.000 0.210 1219 L C 2.693 179.509 176.870 -0.090 0.000 1.081 1219 L CA 1.045 55.814 54.840 -0.119 0.000 0.752 1219 L CB -0.441 41.635 42.059 0.027 0.000 0.896 1219 L HN 0.309 nan 8.230 nan 0.000 0.433 1220 Q N 0.473 120.273 119.800 -0.001 0.000 2.050 1220 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 1220 Q C 2.156 178.137 176.000 -0.032 0.000 0.980 1220 Q CA 1.764 57.579 55.803 0.019 0.000 0.840 1220 Q CB -0.291 28.486 28.738 0.064 0.000 0.898 1220 Q HN 0.463 nan 8.270 nan 0.000 0.424 1221 L N -0.051 121.139 121.223 -0.055 0.000 2.141 1221 L HA -0.078 4.262 4.340 0.000 0.000 0.209 1221 L C 0.615 177.435 176.870 -0.084 0.000 1.094 1221 L CA 1.142 55.948 54.840 -0.057 0.000 0.763 1221 L CB -0.235 41.801 42.059 -0.038 0.000 0.908 1221 L HN 0.278 nan 8.230 nan 0.000 0.437 1222 K N -0.870 119.396 120.400 -0.222 0.000 3.291 1222 K HA -0.202 4.118 4.320 0.000 0.000 0.290 1222 K C -0.060 176.356 176.600 -0.306 0.000 1.235 1222 K CA 0.692 56.716 56.287 -0.437 0.000 0.848 1222 K CB -1.675 30.815 32.500 -0.017 0.000 1.295 1222 K HN 0.206 nan 8.250 nan 0.000 0.497 1223 D N 0.591 120.874 120.400 -0.195 0.000 2.541 1223 D HA 0.069 4.709 4.640 0.000 0.000 0.231 1223 D C 0.435 176.743 176.300 0.014 0.000 1.163 1223 D CA -0.117 53.877 54.000 -0.011 0.000 1.077 1223 D CB -0.327 40.502 40.800 0.049 0.000 1.110 1223 D HN 0.139 nan 8.370 nan 0.000 0.499 1224 F N 0.533 120.570 119.950 0.145 0.000 2.699 1224 F HA -0.023 4.505 4.527 0.000 0.000 0.298 1224 F C 1.863 177.754 175.800 0.152 0.000 1.154 1224 F CA 0.320 58.408 58.000 0.146 0.000 1.457 1224 F CB 0.160 39.219 39.000 0.098 0.000 1.106 1224 F HN 0.227 nan 8.300 nan 0.000 0.585 1225 D N -0.597 119.981 120.400 0.295 0.000 2.149 1225 D HA -0.180 4.460 4.640 0.000 0.000 0.201 1225 D C 1.977 178.407 176.300 0.215 0.000 0.972 1225 D CA 1.084 55.217 54.000 0.222 0.000 0.835 1225 D CB -0.509 40.403 40.800 0.187 0.000 0.966 1225 D HN 0.281 nan 8.370 nan 0.000 0.476 1226 F N 1.037 121.054 119.950 0.111 0.000 2.615 1226 F HA -0.049 4.478 4.527 0.000 0.000 0.297 1226 F C 2.035 177.909 175.800 0.123 0.000 1.124 1226 F CA 0.292 58.350 58.000 0.098 0.000 1.451 1226 F CB 0.265 39.323 39.000 0.096 0.000 1.103 1226 F HN -0.261 nan 8.300 nan 0.000 0.569 1227 V N 1.576 121.675 119.914 0.309 0.000 2.307 1227 V HA -0.196 3.924 4.120 0.000 0.000 0.245 1227 V C -0.366 175.836 176.094 0.181 0.000 1.045 1227 V CA 1.938 64.407 62.300 0.281 0.000 1.024 1227 V CB -1.848 30.176 31.823 0.334 0.000 0.651 1227 V HN 0.173 nan 8.190 nan 0.000 0.449 1228 P HA -0.111 nan 4.420 nan 0.000 0.216 1228 P C -1.386 175.936 177.300 0.036 0.000 1.153 1228 P CA 1.918 65.080 63.100 0.104 0.000 0.858 1228 P CB -1.343 30.418 31.700 0.102 0.000 0.789 1229 P HA -0.094 nan 4.420 nan 0.000 0.218 1229 P C 1.564 178.888 177.300 0.040 0.000 1.149 1229 P CA 1.034 64.113 63.100 -0.035 0.000 0.817 1229 P CB -0.440 31.159 31.700 -0.169 0.000 0.785 1230 V N -0.449 119.507 119.914 0.071 0.000 2.283 1230 V HA -0.167 3.953 4.120 0.000 0.000 0.243 1230 V C 2.492 178.689 176.094 0.171 0.000 1.039 1230 V CA 1.619 64.034 62.300 0.191 0.000 1.016 1230 V CB -1.319 30.688 31.823 0.305 0.000 0.650 1230 V HN -0.064 nan 8.190 nan 0.000 0.449 1231 V N 0.028 119.965 119.914 0.038 0.000 2.469 1231 V HA -0.293 3.827 4.120 0.000 0.000 0.251 1231 V C 2.552 178.608 176.094 -0.062 0.000 1.064 1231 V CA 2.316 64.540 62.300 -0.127 0.000 1.066 1231 V CB -0.868 30.674 31.823 -0.467 0.000 0.667 1231 V HN 0.451 nan 8.190 nan 0.000 0.461 1232 R N -1.306 119.198 120.500 0.007 0.000 2.070 1232 R HA -0.230 4.110 4.340 0.000 0.000 0.233 1232 R C 2.177 178.514 176.300 0.063 0.000 1.137 1232 R CA 2.253 58.369 56.100 0.026 0.000 0.945 1232 R CB -0.401 29.924 30.300 0.041 0.000 0.845 1232 R HN 0.637 nan 8.270 nan 0.000 0.430 1233 W N 1.197 122.472 121.300 -0.042 0.000 2.342 1233 W HA -0.199 4.461 4.660 0.000 0.000 0.297 1233 W C 1.490 177.987 176.519 -0.037 0.000 1.213 1233 W CA 1.413 58.739 57.345 -0.031 0.000 1.251 1233 W CB -0.292 29.159 29.460 -0.015 0.000 1.136 1233 W HN 0.076 nan 8.180 nan 0.000 0.526 1234 L N 0.700 121.973 121.223 0.083 0.000 1.943 1234 L HA -0.335 4.005 4.340 0.000 0.000 0.215 1234 L C 2.419 179.131 176.870 -0.263 0.000 1.074 1234 L CA 1.892 56.656 54.840 -0.125 0.000 0.759 1234 L CB -1.247 40.809 42.059 -0.004 0.000 0.888 1234 L HN -0.033 nan 8.230 nan 0.000 0.433 1235 N N -0.115 118.488 118.700 -0.161 0.000 2.258 1235 N HA -0.210 4.530 4.740 0.000 0.000 0.187 1235 N C 1.682 177.093 175.510 -0.165 0.000 1.012 1235 N CA 1.147 54.118 53.050 -0.132 0.000 0.870 1235 N CB -0.183 38.268 38.487 -0.060 0.000 0.977 1235 N HN 0.432 nan 8.380 nan 0.000 0.434 1236 E N 0.281 120.349 120.200 -0.220 0.000 2.077 1236 E HA -0.140 4.210 4.350 0.000 0.000 0.193 1236 E C 1.655 178.070 176.600 -0.308 0.000 0.989 1236 E CA 0.744 57.005 56.400 -0.233 0.000 0.800 1236 E CB 0.072 29.626 29.700 -0.242 0.000 0.746 1236 E HN 0.309 nan 8.360 nan 0.000 0.452 1237 Q N 0.256 119.771 119.800 -0.475 0.000 2.226 1237 Q HA -0.063 4.277 4.340 0.000 0.000 0.204 1237 Q C 0.209 176.010 176.000 -0.332 0.000 0.975 1237 Q CA 0.540 56.076 55.803 -0.445 0.000 0.866 1237 Q CB -0.214 28.170 28.738 -0.590 0.000 0.915 1237 Q HN 0.213 nan 8.270 nan 0.000 0.440 1238 R N 0.234 120.524 120.500 -0.350 0.000 3.127 1238 R HA -0.225 4.115 4.340 0.000 0.000 0.247 1238 R C -0.977 174.848 176.300 -0.791 0.000 0.896 1238 R CA 0.147 55.922 56.100 -0.542 0.000 0.624 1238 R CB -2.213 27.861 30.300 -0.377 0.000 1.154 1238 R HN 0.198 nan 8.270 nan 0.000 0.474 1239 Y N 0.973 120.881 120.300 -0.653 0.000 2.383 1239 Y HA 0.164 4.714 4.550 0.000 0.000 0.344 1239 Y C 0.126 175.812 175.900 -0.357 0.000 0.986 1239 Y CA -0.727 57.092 58.100 -0.468 0.000 1.175 1239 Y CB 0.398 38.680 38.460 -0.296 0.000 1.152 1239 Y HN 0.158 nan 8.280 nan 0.000 0.511 1240 Y N 3.973 124.070 120.300 -0.338 0.000 2.555 1240 Y HA 0.405 4.955 4.550 0.000 0.000 0.259 1240 Y C 1.304 177.147 175.900 -0.095 0.000 1.179 1240 Y CA -0.426 57.654 58.100 -0.032 0.000 1.230 1240 Y CB -0.052 38.518 38.460 0.184 0.000 1.146 1240 Y HN 0.862 nan 8.280 nan 0.000 0.526 1241 G N 0.225 108.520 108.800 -0.843 0.000 2.752 1241 G HA2 0.252 4.212 3.960 0.000 0.000 0.234 1241 G HA3 0.252 4.212 3.960 0.000 0.000 0.234 1241 G C 0.220 174.981 174.900 -0.233 0.000 1.367 1241 G CA -0.050 44.730 45.100 -0.534 0.000 0.879 1241 G HN 1.234 nan 8.290 nan 0.000 0.563 1242 G N -2.012 106.768 108.800 -0.034 0.000 2.758 1242 G HA2 0.500 4.460 3.960 0.000 0.000 0.686 1242 G HA3 0.500 4.460 3.960 0.000 0.000 0.686 1242 G C 1.227 176.123 174.900 -0.007 0.000 1.389 1242 G CA 0.811 45.891 45.100 -0.034 0.000 0.845 1242 G HN 3.298 nan 8.290 nan 0.000 0.572 1243 G N -0.953 107.868 108.800 0.035 0.000 2.707 1243 G HA2 0.324 4.284 3.960 0.000 0.000 0.686 1243 G HA3 0.324 4.284 3.960 0.000 0.000 0.686 1243 G C -0.048 174.938 174.900 0.143 0.000 1.315 1243 G CA 0.204 45.356 45.100 0.087 0.000 0.832 1243 G HN 2.319 nan 8.290 nan 0.000 0.573 1244 Y N 1.206 121.535 120.300 0.049 0.000 2.895 1244 Y HA 0.274 4.825 4.550 0.000 0.000 0.334 1244 Y C 1.706 177.644 175.900 0.063 0.000 1.261 1244 Y CA 2.099 60.231 58.100 0.055 0.000 1.560 1244 Y CB 0.321 38.804 38.460 0.038 0.000 1.253 1244 Y HN 2.540 nan 8.280 nan 0.000 0.582 1245 G N 3.379 111.868 108.800 -0.518 0.000 2.179 1245 G HA2 -0.332 3.628 3.960 0.000 0.000 0.257 1245 G HA3 -0.332 3.628 3.960 0.000 0.000 0.257 1245 G C 0.679 175.532 174.900 -0.077 0.000 1.010 1245 G CA 0.787 45.650 45.100 -0.395 0.000 0.736 1245 G HN 1.393 nan 8.290 nan 0.000 0.513 1246 S N -1.716 113.998 115.700 0.024 0.000 2.557 1246 S HA 0.230 4.700 4.470 0.000 0.000 0.223 1246 S C 1.861 176.575 174.600 0.190 0.000 0.969 1246 S CA 1.156 59.456 58.200 0.167 0.000 0.927 1246 S CB 0.222 63.550 63.200 0.214 0.000 0.806 1246 S HN 0.366 nan 8.310 nan 0.000 0.489 1247 T N 2.922 117.544 114.554 0.112 0.000 2.622 1247 T HA -0.134 4.216 4.350 0.000 0.000 0.266 1247 T C 1.927 176.765 174.700 0.229 0.000 1.047 1247 T CA 1.654 63.844 62.100 0.151 0.000 1.159 1247 T CB -0.322 68.571 68.868 0.041 0.000 0.863 1247 T HN 0.349 nan 8.240 nan 0.000 0.422 1248 Q N 0.796 120.696 119.800 0.166 0.000 2.016 1248 Q HA 0.080 4.420 4.340 0.000 0.000 0.200 1248 Q C 2.829 178.994 176.000 0.276 0.000 0.978 1248 Q CA 1.540 57.486 55.803 0.238 0.000 0.833 1248 Q CB -1.015 27.847 28.738 0.206 0.000 0.895 1248 Q HN 0.548 nan 8.270 nan 0.000 0.427 1249 A N 1.041 124.002 122.820 0.234 0.000 1.869 1249 A HA -0.248 4.073 4.320 0.000 0.000 0.218 1249 A C 2.415 180.209 177.584 0.350 0.000 1.203 1249 A CA 2.604 54.771 52.037 0.216 0.000 0.638 1249 A CB -1.258 17.795 19.000 0.087 0.000 0.831 1249 A HN 0.454 nan 8.150 nan 0.000 0.450 1250 T N -0.998 113.834 114.554 0.462 0.000 2.635 1250 T HA -0.191 4.159 4.350 0.000 0.000 0.267 1250 T C 1.652 176.602 174.700 0.416 0.000 1.040 1250 T CA 1.719 64.083 62.100 0.441 0.000 1.156 1250 T CB -0.482 68.603 68.868 0.361 0.000 0.863 1250 T HN 0.447 nan 8.240 nan 0.000 0.430 1251 F N 1.354 121.457 119.950 0.255 0.000 2.075 1251 F HA -0.120 4.407 4.527 0.000 0.000 0.297 1251 F C 2.253 178.133 175.800 0.133 0.000 1.113 1251 F CA 1.290 59.420 58.000 0.218 0.000 1.218 1251 F CB -0.223 38.932 39.000 0.259 0.000 0.984 1251 F HN -0.016 nan 8.300 nan 0.000 0.472 1252 M N -0.581 119.164 119.600 0.241 0.000 2.175 1252 M HA -0.118 4.362 4.480 0.000 0.000 0.264 1252 M C 2.409 178.638 176.300 -0.120 0.000 1.063 1252 M CA 1.013 56.293 55.300 -0.033 0.000 1.119 1252 M CB -1.607 30.862 32.600 -0.219 0.000 1.377 1252 M HN 0.198 nan 8.290 nan 0.000 0.415 1253 V N -0.013 119.851 119.914 -0.083 0.000 2.343 1253 V HA -0.251 3.869 4.120 0.000 0.000 0.247 1253 V C 1.986 177.862 176.094 -0.364 0.000 1.051 1253 V CA 1.839 64.000 62.300 -0.232 0.000 1.036 1253 V CB -0.398 31.263 31.823 -0.271 0.000 0.654 1253 V HN 0.277 nan 8.190 nan 0.000 0.451 1254 F N -0.384 119.486 119.950 -0.135 0.000 2.615 1254 F HA 0.065 4.592 4.527 0.000 0.000 0.297 1254 F C 2.340 178.123 175.800 -0.029 0.000 1.124 1254 F CA 1.186 59.066 58.000 -0.201 0.000 1.451 1254 F CB -0.324 38.492 39.000 -0.307 0.000 1.103 1254 F HN 0.199 nan 8.300 nan 0.000 0.569 1255 Q N 0.575 120.367 119.800 -0.014 0.000 2.083 1255 Q HA -0.136 4.204 4.340 0.000 0.000 0.198 1255 Q C 2.394 178.426 176.000 0.052 0.000 0.969 1255 Q CA 1.485 57.263 55.803 -0.041 0.000 0.838 1255 Q CB -0.123 28.475 28.738 -0.233 0.000 0.900 1255 Q HN 0.351 nan 8.270 nan 0.000 0.436 1256 A N 0.823 123.627 122.820 -0.027 0.000 1.855 1256 A HA -0.139 4.181 4.320 0.000 0.000 0.215 1256 A C 2.043 179.695 177.584 0.114 0.000 1.191 1256 A CA 1.156 53.187 52.037 -0.010 0.000 0.613 1256 A CB -0.766 18.181 19.000 -0.088 0.000 0.829 1256 A HN 0.439 nan 8.150 nan 0.000 0.442 1257 L N -0.845 120.445 121.223 0.111 0.000 2.141 1257 L HA -0.163 4.177 4.340 0.000 0.000 0.209 1257 L C 3.050 180.190 176.870 0.450 0.000 1.094 1257 L CA 0.898 55.885 54.840 0.246 0.000 0.763 1257 L CB -0.526 41.623 42.059 0.150 0.000 0.908 1257 L HN 0.466 nan 8.230 nan 0.000 0.437 1258 A N -0.305 122.794 122.820 0.464 0.000 1.873 1258 A HA -0.253 4.067 4.320 0.000 0.000 0.215 1258 A C 2.208 179.909 177.584 0.195 0.000 1.186 1258 A CA 1.580 53.815 52.037 0.329 0.000 0.616 1258 A CB -0.501 18.719 19.000 0.367 0.000 0.823 1258 A HN 0.352 nan 8.150 nan 0.000 0.442 1259 Q N -1.379 118.553 119.800 0.219 0.000 2.226 1259 Q HA -0.195 4.145 4.340 0.000 0.000 0.204 1259 Q C 1.698 177.801 176.000 0.172 0.000 0.975 1259 Q CA 2.067 57.971 55.803 0.168 0.000 0.866 1259 Q CB -0.676 28.152 28.738 0.149 0.000 0.915 1259 Q HN 0.767 nan 8.270 nan 0.000 0.440 1260 Y N 0.039 120.404 120.300 0.107 0.000 2.224 1260 Y HA -0.207 4.343 4.550 0.000 0.000 0.289 1260 Y C 1.855 177.821 175.900 0.111 0.000 1.146 1260 Y CA 1.861 60.034 58.100 0.122 0.000 1.182 1260 Y CB -0.012 38.520 38.460 0.120 0.000 0.983 1260 Y HN 0.134 nan 8.280 nan 0.000 0.524 1261 Q N 0.746 120.524 119.800 -0.037 0.000 2.046 1261 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 1261 Q C 2.190 178.096 176.000 -0.156 0.000 0.975 1261 Q CA 1.340 57.044 55.803 -0.166 0.000 0.836 1261 Q CB -0.355 28.359 28.738 -0.040 0.000 0.896 1261 Q HN 0.473 nan 8.270 nan 0.000 0.428 1262 K N 0.955 121.316 120.400 -0.066 0.000 2.127 1262 K HA -0.138 4.182 4.320 0.000 0.000 0.208 1262 K C 0.042 176.616 176.600 -0.044 0.000 1.047 1262 K CA 0.989 57.251 56.287 -0.043 0.000 0.927 1262 K CB -0.062 32.444 32.500 0.009 0.000 0.716 1262 K HN 0.235 nan 8.250 nan 0.000 0.450 1263 D N 0.208 120.591 120.400 -0.030 0.000 2.781 1263 D HA 0.244 4.884 4.640 0.000 0.000 0.254 1263 D C -0.876 175.365 176.300 -0.098 0.000 1.213 1263 D CA 0.050 54.075 54.000 0.042 0.000 0.994 1263 D CB 0.596 41.543 40.800 0.245 0.000 1.019 1263 D HN 0.045 nan 8.370 nan 0.000 0.514 1264 A N 1.648 124.343 122.820 -0.208 0.000 2.359 1264 A HA 0.622 4.942 4.320 0.000 0.000 0.303 1264 A C -2.568 174.856 177.584 -0.267 0.000 1.066 1264 A CA -1.387 50.472 52.037 -0.297 0.000 0.730 1264 A CB 1.150 19.962 19.000 -0.314 0.000 1.211 1264 A HN -0.012 nan 8.150 nan 0.000 0.439 1265 P HA 0.214 nan 4.420 nan 0.000 0.268 1265 P C -0.199 176.935 177.300 -0.277 0.000 1.204 1265 P CA 0.015 62.954 63.100 -0.269 0.000 0.768 1265 P CB 0.832 32.369 31.700 -0.272 0.000 0.842 1266 D N -0.118 120.091 120.400 -0.318 0.000 2.137 1266 D HA -0.044 4.596 4.640 0.000 0.000 0.202 1266 D C 0.208 176.074 176.300 -0.723 0.000 0.970 1266 D CA 1.536 55.240 54.000 -0.492 0.000 0.837 1266 D CB 0.018 40.492 40.800 -0.543 0.000 0.981 1266 D HN 0.459 nan 8.370 nan 0.000 0.475 1267 H N 0.649 119.509 119.070 -0.350 0.000 2.744 1267 H HA 0.224 4.780 4.556 0.000 0.000 0.339 1267 H C -0.100 174.941 175.328 -0.479 0.000 1.004 1267 H CA -0.528 55.137 56.048 -0.639 0.000 1.257 1267 H CB 1.077 30.271 29.762 -0.947 0.000 1.552 1267 H HN -0.075 nan 8.280 nan 0.000 0.522 1268 Q N 2.250 121.843 119.800 -0.345 0.000 2.242 1268 Q HA -0.021 4.319 4.340 0.000 0.000 0.284 1268 Q C -0.024 175.879 176.000 -0.160 0.000 1.130 1268 Q CA 0.485 56.162 55.803 -0.210 0.000 0.940 1268 Q CB 0.478 29.119 28.738 -0.162 0.000 1.146 1268 Q HN 0.573 nan 8.270 nan 0.000 0.388 1269 E N 3.656 123.808 120.200 -0.080 0.000 2.159 1269 E HA 0.056 4.406 4.350 0.000 0.000 0.272 1269 E C -0.321 176.306 176.600 0.045 0.000 1.138 1269 E CA -0.028 56.368 56.400 -0.007 0.000 0.915 1269 E CB 0.318 30.023 29.700 0.008 0.000 1.028 1269 E HN 0.359 nan 8.360 nan 0.000 0.423 1270 L N 4.011 125.301 121.223 0.112 0.000 2.278 1270 L HA 0.184 4.524 4.340 0.000 0.000 0.287 1270 L C 0.742 177.675 176.870 0.105 0.000 1.072 1270 L CA -0.152 54.762 54.840 0.123 0.000 0.819 1270 L CB 0.204 42.379 42.059 0.194 0.000 1.176 1270 L HN 0.409 nan 8.230 nan 0.000 0.435 1271 N N 4.385 123.108 118.700 0.037 0.000 2.636 1271 N HA 0.257 4.997 4.740 0.000 0.000 0.287 1271 N C -1.034 174.437 175.510 -0.065 0.000 1.817 1271 N CA -0.196 52.845 53.050 -0.015 0.000 0.842 1271 N CB 0.509 39.036 38.487 0.066 0.000 1.353 1271 N HN 0.457 nan 8.380 nan 0.000 0.500 1272 L N 0.602 121.773 121.223 -0.085 0.000 2.305 1272 L HA 0.341 4.681 4.340 0.000 0.000 0.281 1272 L C -0.215 176.605 176.870 -0.084 0.000 1.085 1272 L CA -0.236 54.569 54.840 -0.057 0.000 0.813 1272 L CB 0.827 42.869 42.059 -0.028 0.000 1.157 1272 L HN 0.058 nan 8.230 nan 0.000 0.436 1273 D N 2.518 122.893 120.400 -0.041 0.000 2.514 1273 D HA 0.213 4.853 4.640 0.000 0.000 0.267 1273 D C -0.560 175.745 176.300 0.008 0.000 1.165 1273 D CA -0.120 53.867 54.000 -0.022 0.000 0.958 1273 D CB 1.085 41.878 40.800 -0.010 0.000 0.992 1273 D HN 0.023 nan 8.370 nan 0.000 0.506 1274 V N 1.857 121.786 119.914 0.024 0.000 2.439 1274 V HA 0.168 4.288 4.120 0.000 0.000 0.271 1274 V C 0.540 176.668 176.094 0.056 0.000 1.040 1274 V CA 0.021 62.347 62.300 0.044 0.000 1.002 1274 V CB 0.948 32.803 31.823 0.053 0.000 1.000 1274 V HN 0.355 nan 8.190 nan 0.000 0.477 1275 S N 6.124 121.850 115.700 0.044 0.000 2.489 1275 S HA 0.792 5.262 4.470 0.000 0.000 0.291 1275 S C -0.539 174.092 174.600 0.051 0.000 1.151 1275 S CA -0.476 57.745 58.200 0.036 0.000 1.082 1275 S CB 1.213 64.429 63.200 0.025 0.000 1.019 1275 S HN 0.442 nan 8.310 nan 0.000 0.492 1276 L N 2.650 123.895 121.223 0.037 0.000 2.401 1276 L HA 0.636 4.976 4.340 0.000 0.000 0.266 1276 L C -0.379 176.501 176.870 0.016 0.000 0.991 1276 L CA -0.202 54.665 54.840 0.046 0.000 0.818 1276 L CB 2.004 44.076 42.059 0.023 0.000 1.321 1276 L HN 0.652 nan 8.230 nan 0.000 0.413 1277 Q N 2.396 122.223 119.800 0.045 0.000 2.320 1277 Q HA 0.687 5.027 4.340 0.000 0.000 0.272 1277 Q C -2.126 173.917 176.000 0.071 0.000 1.023 1277 Q CA -0.663 55.157 55.803 0.029 0.000 0.855 1277 Q CB 2.236 30.993 28.738 0.032 0.000 1.367 1277 Q HN 0.532 nan 8.270 nan 0.000 0.406 1278 L N 3.825 125.069 121.223 0.035 0.000 2.313 1278 L HA 0.595 4.935 4.340 0.000 0.000 0.268 1278 L C -1.868 175.034 176.870 0.054 0.000 1.010 1278 L CA -1.799 53.086 54.840 0.075 0.000 0.814 1278 L CB 0.828 42.899 42.059 0.021 0.000 1.304 1278 L HN 0.569 nan 8.230 nan 0.000 0.441 1279 P HA -0.079 nan 4.420 nan 0.000 0.221 1279 P C 1.599 178.914 177.300 0.025 0.000 1.150 1279 P CA 0.842 63.965 63.100 0.039 0.000 0.800 1279 P CB 0.338 32.062 31.700 0.040 0.000 0.787 1280 S N -1.379 114.336 115.700 0.025 0.000 2.402 1280 S HA -0.063 4.407 4.470 0.000 0.000 0.229 1280 S C 1.184 175.785 174.600 0.002 0.000 1.021 1280 S CA 0.539 58.746 58.200 0.012 0.000 0.974 1280 S CB -0.319 62.888 63.200 0.011 0.000 0.800 1280 S HN -0.021 nan 8.310 nan 0.000 0.484 1281 R N -0.542 119.957 120.500 -0.002 0.000 2.691 1281 R HA 0.479 4.819 4.340 0.000 0.000 0.259 1281 R C 0.854 177.151 176.300 -0.004 0.000 1.048 1281 R CA -0.060 56.034 56.100 -0.010 0.000 1.086 1281 R CB 1.198 31.484 30.300 -0.024 0.000 1.166 1281 R HN 0.107 nan 8.270 nan 0.000 0.526 1282 S N -0.754 114.941 115.700 -0.008 0.000 2.541 1282 S HA 0.118 4.588 4.470 0.000 0.000 0.219 1282 S C 0.173 174.769 174.600 -0.006 0.000 1.025 1282 S CA -0.072 58.126 58.200 -0.004 0.000 0.917 1282 S CB 0.289 63.486 63.200 -0.005 0.000 0.859 1282 S HN 0.579 nan 8.310 nan 0.000 0.584 1283 S N 1.621 117.314 115.700 -0.012 0.000 2.617 1283 S HA 0.283 4.753 4.470 0.000 0.000 0.259 1283 S C 0.192 174.782 174.600 -0.018 0.000 1.301 1283 S CA -0.308 57.883 58.200 -0.015 0.000 0.984 1283 S CB 0.356 63.544 63.200 -0.020 0.000 0.954 1283 S HN 0.244 nan 8.310 nan 0.000 0.572 1284 K N 0.521 120.909 120.400 -0.019 0.000 2.180 1284 K HA 0.268 4.588 4.320 0.000 0.000 0.251 1284 K C -0.477 176.095 176.600 -0.047 0.000 1.014 1284 K CA -0.078 56.195 56.287 -0.023 0.000 0.913 1284 K CB 0.220 32.709 32.500 -0.018 0.000 1.008 1284 K HN 0.322 nan 8.250 nan 0.000 0.490 1285 I N 2.526 123.061 120.570 -0.058 0.000 2.925 1285 I HA 0.066 4.236 4.170 0.000 0.000 0.296 1285 I C -0.525 175.517 176.117 -0.124 0.000 1.413 1285 I CA -0.234 61.000 61.300 -0.110 0.000 0.932 1285 I CB 0.488 38.423 38.000 -0.108 0.000 1.873 1285 I HN 0.448 nan 8.210 nan 0.000 0.619 1286 T N 3.237 117.729 114.554 -0.104 0.000 2.776 1286 T HA 0.217 4.567 4.350 0.000 0.000 0.292 1286 T C 0.430 175.079 174.700 -0.085 0.000 0.921 1286 T CA 0.020 62.086 62.100 -0.058 0.000 1.038 1286 T CB 0.011 68.864 68.868 -0.025 0.000 0.910 1286 T HN 0.181 nan 8.240 nan 0.000 0.536 1287 H N 2.895 121.957 119.070 -0.013 0.000 2.629 1287 H HA 0.254 4.810 4.556 0.000 0.000 0.357 1287 H C 0.599 175.909 175.328 -0.030 0.000 1.121 1287 H CA 0.084 56.122 56.048 -0.016 0.000 1.406 1287 H CB 0.777 30.527 29.762 -0.019 0.000 1.456 1287 H HN 0.346 nan 8.280 nan 0.000 0.579 1288 R N 3.565 124.139 120.500 0.123 0.000 2.272 1288 R HA 0.302 4.642 4.340 0.000 0.000 0.323 1288 R C -0.345 175.908 176.300 -0.078 0.000 1.002 1288 R CA -0.489 55.607 56.100 -0.006 0.000 0.900 1288 R CB 0.308 30.648 30.300 0.067 0.000 1.151 1288 R HN 0.478 nan 8.270 nan 0.000 0.507 1289 I N 4.815 125.285 120.570 -0.168 0.000 2.281 1289 I HA 0.199 4.369 4.170 0.000 0.000 0.293 1289 I C 0.243 176.219 176.117 -0.235 0.000 1.085 1289 I CA -0.283 60.937 61.300 -0.133 0.000 1.257 1289 I CB 0.319 38.276 38.000 -0.071 0.000 1.430 1289 I HN 0.380 nan 8.210 nan 0.000 0.489 1290 H N 4.956 124.051 119.070 0.042 0.000 2.573 1290 H HA 0.193 4.749 4.556 0.000 0.000 0.351 1290 H C -0.853 174.525 175.328 0.083 0.000 1.163 1290 H CA -0.577 55.514 56.048 0.071 0.000 1.205 1290 H CB 2.466 32.263 29.762 0.058 0.000 1.605 1290 H HN 0.576 nan 8.280 nan 0.000 0.525 1291 W N 2.662 124.012 121.300 0.083 0.000 2.345 1291 W HA 0.214 4.874 4.660 0.000 0.000 0.308 1291 W C -0.294 176.197 176.519 -0.047 0.000 1.273 1291 W CA 0.188 57.519 57.345 -0.023 0.000 1.243 1291 W CB 0.328 29.742 29.460 -0.075 0.000 1.260 1291 W HN 0.964 nan 8.180 nan 0.000 0.509 1292 E N 1.566 121.581 120.200 -0.307 0.000 1.392 1292 E HA -0.168 4.182 4.350 0.000 0.000 0.219 1292 E C 0.145 176.614 176.600 -0.217 0.000 1.018 1292 E CA 0.490 56.784 56.400 -0.176 0.000 1.261 1292 E CB -0.878 28.820 29.700 -0.003 0.000 4.576 1292 E HN 0.283 nan 8.360 nan 0.000 0.708 1293 S N 1.220 116.836 115.700 -0.140 0.000 2.457 1293 S HA 0.474 4.944 4.470 0.000 0.000 0.294 1293 S C 1.012 175.471 174.600 -0.234 0.000 1.201 1293 S CA 0.249 58.371 58.200 -0.131 0.000 1.112 1293 S CB 1.338 64.512 63.200 -0.043 0.000 1.018 1293 S HN 0.457 nan 8.310 nan 0.000 0.511 1294 A N 4.088 126.755 122.820 -0.254 0.000 2.070 1294 A HA -0.039 4.281 4.320 0.000 0.000 0.220 1294 A C 2.400 179.847 177.584 -0.228 0.000 1.159 1294 A CA 1.404 53.252 52.037 -0.315 0.000 0.656 1294 A CB -1.170 17.683 19.000 -0.245 0.000 0.800 1294 A HN 1.139 nan 8.150 nan 0.000 0.453 1295 S N 0.108 115.716 115.700 -0.153 0.000 2.344 1295 S HA -0.072 4.398 4.470 0.000 0.000 0.217 1295 S C 0.901 175.434 174.600 -0.111 0.000 1.033 1295 S CA 1.015 59.149 58.200 -0.111 0.000 1.017 1295 S CB -0.951 62.201 63.200 -0.081 0.000 0.941 1295 S HN 1.024 nan 8.310 nan 0.000 0.430 1296 L N 0.790 121.949 121.223 -0.107 0.000 3.601 1296 L HA -0.088 4.252 4.340 0.000 0.000 0.469 1296 L C -0.480 176.340 176.870 -0.082 0.000 1.294 1296 L CA 0.104 54.890 54.840 -0.089 0.000 0.829 1296 L CB -1.885 40.122 42.059 -0.086 0.000 1.628 1296 L HN 0.618 nan 8.230 nan 0.000 0.868 1297 L N 0.047 121.214 121.223 -0.094 0.000 2.641 1297 L HA 0.725 5.065 4.340 0.000 0.000 0.261 1297 L C -0.611 176.180 176.870 -0.131 0.000 0.926 1297 L CA -0.477 54.302 54.840 -0.101 0.000 0.917 1297 L CB 1.378 43.395 42.059 -0.071 0.000 1.361 1297 L HN 0.176 nan 8.230 nan 0.000 0.417 1298 R N 2.157 122.541 120.500 -0.194 0.000 2.869 1298 R HA 0.850 5.190 4.340 0.000 0.000 0.263 1298 R C -1.404 174.801 176.300 -0.159 0.000 1.066 1298 R CA -0.817 55.139 56.100 -0.240 0.000 0.960 1298 R CB 2.105 32.021 30.300 -0.639 0.000 1.221 1298 R HN 0.474 nan 8.270 nan 0.000 0.474 1299 S N 0.010 115.667 115.700 -0.071 0.000 2.546 1299 S HA 0.560 5.030 4.470 0.000 0.000 0.274 1299 S C -1.625 172.997 174.600 0.037 0.000 1.121 1299 S CA -0.672 57.517 58.200 -0.018 0.000 0.887 1299 S CB 1.111 64.303 63.200 -0.012 0.000 1.094 1299 S HN 0.422 nan 8.310 nan 0.000 0.474 1300 E N 2.811 123.014 120.200 0.006 0.000 2.316 1300 E HA 0.279 4.629 4.350 0.000 0.000 0.254 1300 E C -1.516 175.052 176.600 -0.054 0.000 0.902 1300 E CA -0.488 55.903 56.400 -0.015 0.000 0.801 1300 E CB 1.646 31.322 29.700 -0.039 0.000 1.270 1300 E HN 0.598 nan 8.360 nan 0.000 0.414 1301 E N 1.292 121.471 120.200 -0.036 0.000 2.046 1301 E HA 0.248 4.598 4.350 0.000 0.000 0.279 1301 E C -0.664 175.911 176.600 -0.042 0.000 0.989 1301 E CA -0.191 56.191 56.400 -0.030 0.000 0.798 1301 E CB 0.929 30.624 29.700 -0.008 0.000 1.086 1301 E HN 0.093 nan 8.360 nan 0.000 0.399 1302 T N 3.908 118.429 114.554 -0.055 0.000 2.771 1302 T HA 0.136 4.486 4.350 0.000 0.000 0.291 1302 T C 1.131 175.826 174.700 -0.009 0.000 0.954 1302 T CA -0.923 61.149 62.100 -0.048 0.000 1.045 1302 T CB 1.110 69.933 68.868 -0.074 0.000 0.917 1302 T HN 0.240 nan 8.240 nan 0.000 0.484 1303 K N 1.888 122.287 120.400 -0.003 0.000 2.057 1303 K HA 0.012 4.332 4.320 0.000 0.000 0.206 1303 K C 0.894 177.507 176.600 0.021 0.000 1.050 1303 K CA 1.033 57.327 56.287 0.011 0.000 0.935 1303 K CB 0.170 32.675 32.500 0.007 0.000 0.715 1303 K HN 0.654 nan 8.250 nan 0.000 0.439 1304 E N 1.309 121.520 120.200 0.018 0.000 2.214 1304 E HA 0.084 4.434 4.350 0.000 0.000 0.274 1304 E C -0.782 175.843 176.600 0.042 0.000 0.977 1304 E CA -0.547 55.869 56.400 0.026 0.000 0.827 1304 E CB 0.903 30.616 29.700 0.021 0.000 1.130 1304 E HN -0.110 nan 8.360 nan 0.000 0.394 1305 N N 3.286 122.012 118.700 0.043 0.000 2.402 1305 N HA 0.025 4.765 4.740 0.000 0.000 0.259 1305 N C -1.295 174.256 175.510 0.069 0.000 1.167 1305 N CA 0.318 53.402 53.050 0.058 0.000 0.949 1305 N CB 0.351 38.854 38.487 0.027 0.000 1.212 1305 N HN 0.333 nan 8.380 nan 0.000 0.493 1306 E N 0.947 121.224 120.200 0.129 0.000 2.359 1306 E HA 0.496 4.846 4.350 0.000 0.000 0.266 1306 E C -0.255 176.466 176.600 0.202 0.000 0.920 1306 E CA -1.029 55.457 56.400 0.143 0.000 0.788 1306 E CB 1.541 31.329 29.700 0.146 0.000 1.279 1306 E HN 0.544 nan 8.360 nan 0.000 0.438 1307 G N 0.829 109.686 108.800 0.095 0.000 2.377 1307 G HA2 0.584 4.544 3.960 0.000 0.000 0.299 1307 G HA3 0.584 4.544 3.960 0.000 0.000 0.299 1307 G C -0.810 174.131 174.900 0.069 0.000 1.150 1307 G CA -0.327 44.744 45.100 -0.049 0.000 0.847 1307 G HN 0.285 nan 8.290 nan 0.000 0.501 1308 F N -1.038 118.911 119.950 -0.001 0.000 2.645 1308 F HA 0.720 5.247 4.527 0.000 0.000 0.310 1308 F C -0.265 175.537 175.800 0.003 0.000 1.102 1308 F CA -1.367 56.634 58.000 0.002 0.000 0.952 1308 F CB 1.086 40.090 39.000 0.005 0.000 1.326 1308 F HN 0.392 nan 8.300 nan 0.000 0.456 1309 T N 1.502 116.179 114.554 0.205 0.000 2.907 1309 T HA 0.618 4.968 4.350 0.000 0.000 0.284 1309 T C -0.747 174.070 174.700 0.194 0.000 1.004 1309 T CA -0.593 61.578 62.100 0.119 0.000 1.063 1309 T CB 1.705 70.616 68.868 0.071 0.000 0.992 1309 T HN 0.565 nan 8.240 nan 0.000 0.483 1310 V N 3.553 123.548 119.914 0.136 0.000 2.380 1310 V HA 0.249 4.369 4.120 0.000 0.000 0.268 1310 V C 0.395 176.535 176.094 0.077 0.000 1.008 1310 V CA -0.834 61.548 62.300 0.137 0.000 0.823 1310 V CB 0.902 32.828 31.823 0.173 0.000 1.053 1310 V HN 0.997 nan 8.190 nan 0.000 0.446 1311 T N 3.297 117.889 114.554 0.063 0.000 2.898 1311 T HA 0.656 5.006 4.350 0.000 0.000 0.301 1311 T C 0.260 174.984 174.700 0.039 0.000 1.049 1311 T CA 0.135 62.261 62.100 0.042 0.000 1.095 1311 T CB 1.420 70.309 68.868 0.035 0.000 0.976 1311 T HN 0.913 nan 8.240 nan 0.000 0.539 1312 A N 2.061 124.898 122.820 0.029 0.000 2.437 1312 A HA 0.619 4.939 4.320 0.000 0.000 0.293 1312 A C -0.741 176.854 177.584 0.017 0.000 1.038 1312 A CA -0.688 51.363 52.037 0.023 0.000 0.708 1312 A CB 1.320 20.333 19.000 0.023 0.000 1.251 1312 A HN 0.790 nan 8.150 nan 0.000 0.409 1313 E N 1.962 122.170 120.200 0.013 0.000 2.186 1313 E HA 0.514 4.864 4.350 0.000 0.000 0.255 1313 E C 0.156 176.762 176.600 0.010 0.000 0.881 1313 E CA 0.213 56.620 56.400 0.012 0.000 0.752 1313 E CB 1.222 30.929 29.700 0.012 0.000 1.176 1313 E HN 2.067 nan 8.360 nan 0.000 0.421 1314 G N 3.618 112.426 108.800 0.013 0.000 3.000 1314 G HA2 -0.241 3.719 3.960 0.000 0.000 0.686 1314 G HA3 -0.241 3.719 3.960 0.000 0.000 0.686 1314 G C -0.742 174.167 174.900 0.015 0.000 1.114 1314 G CA 0.037 45.146 45.100 0.015 0.000 0.902 1314 G HN 0.705 nan 8.290 nan 0.000 0.564 1315 K N -1.023 119.387 120.400 0.018 0.000 2.985 1315 K HA 0.375 4.695 4.320 0.000 0.000 0.599 1315 K C 1.305 177.918 176.600 0.022 0.000 2.574 1315 K CA 2.251 58.550 56.287 0.020 0.000 1.987 1315 K CB -0.793 31.721 32.500 0.024 0.000 2.747 1315 K HN 2.908 nan 8.250 nan 0.000 0.148 1316 G N 0.303 109.119 108.800 0.025 0.000 2.888 1316 G HA2 -0.138 3.822 3.960 0.000 0.000 0.441 1316 G HA3 -0.138 3.822 3.960 0.000 0.000 0.441 1316 G C -0.928 173.991 174.900 0.033 0.000 1.461 1316 G CA 0.319 45.441 45.100 0.036 0.000 0.897 1316 G HN 0.726 nan 8.290 nan 0.000 0.547 1317 Q N -0.737 119.088 119.800 0.042 0.000 2.456 1317 Q HA 0.685 5.025 4.340 0.000 0.000 0.284 1317 Q C 0.337 176.361 176.000 0.039 0.000 1.061 1317 Q CA -0.165 55.659 55.803 0.035 0.000 0.799 1317 Q CB 1.799 30.557 28.738 0.033 0.000 1.445 1317 Q HN 1.710 nan 8.270 nan 0.000 0.411 1318 G N 0.106 108.923 108.800 0.028 0.000 2.894 1318 G HA2 0.585 4.545 3.960 0.000 0.000 0.164 1318 G HA3 0.585 4.545 3.960 0.000 0.000 0.164 1318 G C -1.407 173.503 174.900 0.017 0.000 1.180 1318 G CA -0.261 44.853 45.100 0.022 0.000 0.997 1318 G HN 0.503 nan 8.290 nan 0.000 0.572 1319 T N 0.289 114.849 114.554 0.009 0.000 3.105 1319 T HA 0.493 4.843 4.350 0.000 0.000 0.321 1319 T C -1.816 172.888 174.700 0.008 0.000 1.135 1319 T CA -0.251 61.855 62.100 0.010 0.000 1.053 1319 T CB 1.967 70.840 68.868 0.008 0.000 1.133 1319 T HN 0.724 nan 8.240 nan 0.000 0.463 1320 L N 3.904 125.137 121.223 0.016 0.000 2.353 1320 L HA 0.664 5.004 4.340 0.000 0.000 0.270 1320 L C -0.386 176.503 176.870 0.032 0.000 1.003 1320 L CA -0.345 54.511 54.840 0.026 0.000 0.862 1320 L CB 0.859 42.941 42.059 0.039 0.000 1.221 1320 L HN 0.700 nan 8.230 nan 0.000 0.430 1321 S N 3.793 119.510 115.700 0.029 0.000 2.433 1321 S HA 0.720 5.190 4.470 0.000 0.000 0.310 1321 S C -0.353 174.276 174.600 0.048 0.000 1.097 1321 S CA -0.789 57.431 58.200 0.032 0.000 1.103 1321 S CB 1.431 64.643 63.200 0.020 0.000 0.992 1321 S HN 0.305 nan 8.310 nan 0.000 0.469 1322 V N 3.790 123.742 119.914 0.064 0.000 2.383 1322 V HA 0.457 4.577 4.120 0.000 0.000 0.275 1322 V C -0.432 175.702 176.094 0.066 0.000 1.036 1322 V CA -0.480 61.874 62.300 0.090 0.000 0.889 1322 V CB 1.129 33.030 31.823 0.130 0.000 0.985 1322 V HN 0.821 nan 8.190 nan 0.000 0.459 1323 V N 4.598 124.550 119.914 0.062 0.000 2.445 1323 V HA 0.339 4.459 4.120 0.000 0.000 0.283 1323 V C 0.385 176.515 176.094 0.061 0.000 1.014 1323 V CA -0.507 61.825 62.300 0.053 0.000 0.852 1323 V CB 1.869 33.715 31.823 0.038 0.000 1.021 1323 V HN 0.993 nan 8.190 nan 0.000 0.435 1324 T N 1.823 116.420 114.554 0.072 0.000 2.771 1324 T HA 0.768 5.118 4.350 0.000 0.000 0.290 1324 T C -0.268 174.492 174.700 0.100 0.000 1.005 1324 T CA -0.538 61.612 62.100 0.083 0.000 0.944 1324 T CB 1.548 70.464 68.868 0.080 0.000 1.147 1324 T HN 0.478 nan 8.240 nan 0.000 0.534 1325 M N 2.050 121.724 119.600 0.123 0.000 2.221 1325 M HA 0.464 4.944 4.480 0.000 0.000 0.259 1325 M C -1.684 174.721 176.300 0.175 0.000 1.001 1325 M CA -0.675 54.693 55.300 0.114 0.000 1.009 1325 M CB 1.286 33.913 32.600 0.046 0.000 1.939 1325 M HN 0.905 nan 8.290 nan 0.000 0.477 1326 Y N 0.356 120.636 120.300 -0.034 0.000 2.790 1326 Y HA 0.681 5.231 4.550 0.000 0.000 0.323 1326 Y C -1.245 174.596 175.900 -0.099 0.000 1.230 1326 Y CA -1.038 57.071 58.100 0.016 0.000 1.121 1326 Y CB 1.426 39.911 38.460 0.042 0.000 1.328 1326 Y HN 0.497 nan 8.280 nan 0.000 0.514 1327 H N 1.470 120.410 119.070 -0.218 0.000 2.718 1327 H HA 0.622 5.179 4.556 0.000 0.000 0.295 1327 H C -0.692 174.460 175.328 -0.294 0.000 1.051 1327 H CA -0.546 55.332 56.048 -0.284 0.000 1.260 1327 H CB 1.340 31.056 29.762 -0.077 0.000 1.403 1327 H HN 0.908 nan 8.280 nan 0.000 0.488 1328 A N 3.884 126.433 122.820 -0.453 0.000 2.304 1328 A HA 0.266 4.586 4.320 0.000 0.000 0.271 1328 A C 0.551 178.116 177.584 -0.031 0.000 1.091 1328 A CA -0.586 51.359 52.037 -0.154 0.000 0.812 1328 A CB 0.761 19.646 19.000 -0.192 0.000 1.056 1328 A HN 0.645 nan 8.150 nan 0.000 0.489 1329 K N -0.226 120.191 120.400 0.028 0.000 2.234 1329 K HA 0.254 4.574 4.320 0.000 0.000 0.251 1329 K C 1.112 177.720 176.600 0.013 0.000 1.011 1329 K CA 0.474 56.778 56.287 0.028 0.000 0.889 1329 K CB 0.368 32.890 32.500 0.037 0.000 1.011 1329 K HN 0.718 nan 8.250 nan 0.000 0.505 1330 A N 1.990 124.821 122.820 0.018 0.000 2.238 1330 A HA 0.009 4.329 4.320 0.000 0.000 0.208 1330 A C -0.297 177.296 177.584 0.015 0.000 1.177 1330 A CA 0.533 52.579 52.037 0.016 0.000 0.804 1330 A CB -0.381 18.632 19.000 0.023 0.000 0.823 1330 A HN 0.834 nan 8.150 nan 0.000 0.482 1331 K N -1.637 118.772 120.400 0.016 0.000 0.847 1331 K HA -0.137 4.183 4.320 0.000 0.000 0.800 1331 K C -1.394 175.217 176.600 0.018 0.000 2.306 1331 K CA 0.824 57.121 56.287 0.016 0.000 1.514 1331 K CB -0.595 31.912 32.500 0.012 0.000 2.737 1331 K HN 0.250 nan 8.250 nan 0.000 0.219 1332 D N 2.389 122.800 120.400 0.018 0.000 2.845 1332 D HA 0.119 4.759 4.640 0.000 0.000 0.235 1332 D C -0.593 175.717 176.300 0.017 0.000 1.158 1332 D CA 0.798 54.809 54.000 0.019 0.000 0.990 1332 D CB 0.051 40.862 40.800 0.019 0.000 1.094 1332 D HN 0.306 nan 8.370 nan 0.000 0.486 1333 Q N 1.454 121.265 119.800 0.017 0.000 3.429 1333 Q HA 0.141 4.481 4.340 0.000 0.000 0.190 1333 Q C -0.378 175.633 176.000 0.019 0.000 0.807 1333 Q CA -0.210 55.602 55.803 0.016 0.000 0.854 1333 Q CB 0.190 28.933 28.738 0.009 0.000 1.481 1333 Q HN 0.150 nan 8.270 nan 0.000 0.463 1334 L N 0.364 121.602 121.223 0.025 0.000 2.155 1334 L HA 0.224 4.564 4.340 0.000 0.000 0.229 1334 L C 1.090 177.979 176.870 0.032 0.000 1.132 1334 L CA 1.261 56.119 54.840 0.031 0.000 2.343 1334 L CB -0.084 41.998 42.059 0.038 0.000 2.063 1334 L HN 0.738 nan 8.230 nan 0.000 0.980 1335 T N -3.847 110.731 114.554 0.040 0.000 3.748 1335 T HA 0.296 4.646 4.350 0.000 0.000 0.281 1335 T C -0.441 174.289 174.700 0.051 0.000 0.977 1335 T CA -0.470 61.656 62.100 0.043 0.000 1.056 1335 T CB -0.599 68.296 68.868 0.045 0.000 1.138 1335 T HN 0.313 nan 8.240 nan 0.000 0.498 1336 c N 3.551 122.182 118.600 0.052 0.000 3.273 1336 c HA 0.361 4.931 4.570 0.000 0.000 0.227 1336 c C 1.953 176.077 174.090 0.058 0.000 1.409 1336 c CA -1.000 55.370 56.329 0.069 0.000 1.516 1336 c CB -1.006 41.547 42.510 0.072 0.000 1.853 1336 c HN 0.764 nan 8.230 nan 0.000 0.472 1337 N N 1.875 120.605 118.700 0.050 0.000 2.025 1337 N HA -0.171 4.569 4.740 0.000 0.000 0.194 1337 N C 1.415 176.916 175.510 -0.016 0.000 1.044 1337 N CA 1.533 54.593 53.050 0.017 0.000 0.851 1337 N CB 0.022 38.523 38.487 0.023 0.000 1.036 1337 N HN 0.444 nan 8.380 nan 0.000 0.422 1338 K N -0.368 120.064 120.400 0.053 0.000 2.211 1338 K HA 0.184 4.504 4.320 0.000 0.000 0.201 1338 K C 0.091 176.584 176.600 -0.178 0.000 1.052 1338 K CA 0.229 56.497 56.287 -0.031 0.000 0.973 1338 K CB 0.131 32.754 32.500 0.204 0.000 0.766 1338 K HN 0.155 nan 8.250 nan 0.000 0.466 1339 F N 0.744 120.703 119.950 0.014 0.000 2.561 1339 F HA 0.280 4.807 4.527 0.000 0.000 0.321 1339 F C 0.025 175.808 175.800 -0.029 0.000 1.065 1339 F CA -1.201 56.812 58.000 0.022 0.000 0.934 1339 F CB 1.509 40.551 39.000 0.070 0.000 1.215 1339 F HN -0.248 nan 8.300 nan 0.000 0.471 1340 D N 1.897 122.377 120.400 0.132 0.000 2.185 1340 D HA 0.576 5.216 4.640 0.000 0.000 0.247 1340 D C -1.349 175.034 176.300 0.138 0.000 1.027 1340 D CA -0.163 53.897 54.000 0.098 0.000 0.861 1340 D CB 2.183 43.018 40.800 0.058 0.000 1.202 1340 D HN 0.256 nan 8.370 nan 0.000 0.453 1341 L N 1.440 122.720 121.223 0.094 0.000 2.493 1341 L HA 0.415 4.755 4.340 0.000 0.000 0.265 1341 L C -1.576 175.317 176.870 0.038 0.000 0.954 1341 L CA -0.467 54.410 54.840 0.063 0.000 0.844 1341 L CB 1.663 43.745 42.059 0.037 0.000 1.302 1341 L HN 0.269 nan 8.230 nan 0.000 0.405 1342 K N 5.131 125.543 120.400 0.020 0.000 2.668 1342 K HA 0.641 4.961 4.320 0.000 0.000 0.246 1342 K C -1.559 175.025 176.600 -0.026 0.000 0.976 1342 K CA -0.695 55.597 56.287 0.010 0.000 0.902 1342 K CB 2.403 34.915 32.500 0.019 0.000 1.172 1342 K HN 0.302 nan 8.250 nan 0.000 0.452 1343 V N 2.638 122.531 119.914 -0.034 0.000 2.347 1343 V HA 0.327 4.447 4.120 0.000 0.000 0.280 1343 V C -0.166 175.874 176.094 -0.090 0.000 1.021 1343 V CA -0.516 61.725 62.300 -0.098 0.000 0.847 1343 V CB 1.490 33.250 31.823 -0.105 0.000 0.990 1343 V HN 0.734 nan 8.190 nan 0.000 0.444 1344 T N 5.829 120.299 114.554 -0.139 0.000 2.895 1344 T HA 0.714 5.064 4.350 0.000 0.000 0.283 1344 T C -0.626 173.965 174.700 -0.181 0.000 1.014 1344 T CA -0.337 61.698 62.100 -0.108 0.000 1.037 1344 T CB 1.986 70.805 68.868 -0.082 0.000 1.006 1344 T HN 0.431 nan 8.240 nan 0.000 0.468 1345 I N 2.782 123.291 120.570 -0.101 0.000 2.468 1345 I HA 0.548 4.718 4.170 0.000 0.000 0.285 1345 I C -1.223 174.866 176.117 -0.047 0.000 1.039 1345 I CA -0.629 60.608 61.300 -0.107 0.000 1.074 1345 I CB 1.050 39.044 38.000 -0.011 0.000 1.228 1345 I HN 0.466 nan 8.210 nan 0.000 0.436 1346 K N 7.436 127.803 120.400 -0.054 0.000 2.395 1346 K HA 0.774 5.094 4.320 0.000 0.000 0.245 1346 K C -2.646 173.956 176.600 0.004 0.000 1.017 1346 K CA -1.629 54.647 56.287 -0.018 0.000 0.852 1346 K CB 0.636 33.124 32.500 -0.020 0.000 1.311 1346 K HN 0.222 nan 8.250 nan 0.000 0.452 1347 P HA 0.190 nan 4.420 nan 0.000 0.289 1347 P C -0.901 176.430 177.300 0.051 0.000 1.299 1347 P CA -0.635 62.494 63.100 0.048 0.000 0.766 1347 P CB 0.363 32.091 31.700 0.046 0.000 1.226 1348 A N 0.312 123.172 122.820 0.067 0.000 2.296 1348 A HA 0.539 4.859 4.320 0.000 0.000 0.264 1348 A C -1.803 175.809 177.584 0.048 0.000 1.097 1348 A CA -0.540 51.538 52.037 0.068 0.000 0.811 1348 A CB -1.685 17.363 19.000 0.079 0.000 1.072 1348 A HN 0.482 nan 8.150 nan 0.000 0.495 1349 P HA 0.238 nan 4.420 nan 0.000 0.341 1349 P C -0.477 176.841 177.300 0.030 0.000 1.297 1349 P CA -0.866 62.255 63.100 0.034 0.000 0.761 1349 P CB -0.065 31.656 31.700 0.034 0.000 1.574 1350 E N -0.177 120.038 120.200 0.024 0.000 3.506 1350 E HA -0.092 4.258 4.350 0.000 0.000 0.233 1350 E C -0.502 176.109 176.600 0.019 0.000 0.936 1350 E CA 0.462 56.874 56.400 0.020 0.000 0.931 1350 E CB -0.584 29.126 29.700 0.017 0.000 0.864 1350 E HN 0.231 nan 8.360 nan 0.000 0.551 1360 N N 2.552 121.253 118.700 0.002 0.000 1.517 1360 N HA -0.169 4.571 4.740 0.000 0.000 0.397 1360 N C -0.619 174.948 175.510 0.094 0.000 1.159 1360 N CA 1.806 54.888 53.050 0.053 0.000 0.765 1360 N CB 0.339 38.879 38.487 0.089 0.000 0.958 1360 N HN 0.552 nan 8.380 nan 0.000 0.546 1361 T N 1.537 116.192 114.554 0.168 0.000 2.942 1361 T HA 0.758 5.108 4.350 0.000 0.000 0.289 1361 T C -0.110 174.761 174.700 0.286 0.000 1.044 1361 T CA -0.886 61.397 62.100 0.304 0.000 1.023 1361 T CB 1.835 70.930 68.868 0.379 0.000 1.123 1361 T HN 0.477 nan 8.240 nan 0.000 0.512 1362 M N 1.147 120.930 119.600 0.304 0.000 2.683 1362 M HA 0.483 4.963 4.480 0.000 0.000 0.274 1362 M C -1.573 174.767 176.300 0.066 0.000 1.272 1362 M CA -1.153 54.245 55.300 0.164 0.000 0.833 1362 M CB 2.469 35.149 32.600 0.133 0.000 1.708 1362 M HN 0.479 nan 8.290 nan 0.000 0.463 1363 I N 2.889 123.447 120.570 -0.020 0.000 2.382 1363 I HA 0.352 4.522 4.170 0.000 0.000 0.285 1363 I C -0.809 175.172 176.117 -0.226 0.000 1.007 1363 I CA -0.646 60.594 61.300 -0.101 0.000 1.142 1363 I CB 0.876 38.840 38.000 -0.060 0.000 1.289 1363 I HN 0.466 nan 8.210 nan 0.000 0.453 1364 L N 6.640 127.618 121.223 -0.408 0.000 2.290 1364 L HA 0.414 4.754 4.340 0.000 0.000 0.284 1364 L C 0.049 176.598 176.870 -0.535 0.000 1.078 1364 L CA 0.240 54.727 54.840 -0.588 0.000 0.815 1364 L CB 0.819 42.353 42.059 -0.875 0.000 1.162 1364 L HN 0.684 nan 8.230 nan 0.000 0.435 1365 E N 5.266 125.231 120.200 -0.391 0.000 2.191 1365 E HA 0.492 4.842 4.350 0.000 0.000 0.263 1365 E C -1.441 175.020 176.600 -0.233 0.000 0.881 1365 E CA -0.451 55.790 56.400 -0.264 0.000 0.757 1365 E CB 1.029 30.632 29.700 -0.162 0.000 1.147 1365 E HN 0.648 nan 8.360 nan 0.000 0.414 1366 I N 4.385 124.845 120.570 -0.183 0.000 2.362 1366 I HA 0.384 4.554 4.170 0.000 0.000 0.289 1366 I C -0.749 175.335 176.117 -0.055 0.000 0.994 1366 I CA -0.954 60.273 61.300 -0.122 0.000 1.158 1366 I CB 1.466 39.404 38.000 -0.105 0.000 1.315 1366 I HN 0.542 nan 8.210 nan 0.000 0.451 1367 c N 4.253 122.836 118.600 -0.030 0.000 2.364 1367 c HA 0.671 5.241 4.570 0.000 0.000 0.324 1367 c C 0.350 174.466 174.090 0.043 0.000 1.234 1367 c CA -0.319 56.017 56.329 0.010 0.000 1.417 1367 c CB 1.431 43.948 42.510 0.011 0.000 2.101 1367 c HN 0.803 nan 8.230 nan 0.000 0.466 1368 T N 3.667 118.266 114.554 0.075 0.000 2.903 1368 T HA 0.803 5.153 4.350 0.000 0.000 0.299 1368 T C -0.906 173.899 174.700 0.175 0.000 1.093 1368 T CA -0.369 61.808 62.100 0.130 0.000 1.002 1368 T CB 1.240 70.187 68.868 0.131 0.000 1.127 1368 T HN 0.848 nan 8.240 nan 0.000 0.488 1369 R N 0.830 121.455 120.500 0.208 0.000 2.741 1369 R HA 0.380 4.720 4.340 0.000 0.000 0.274 1369 R C -2.155 174.151 176.300 0.010 0.000 1.029 1369 R CA -0.851 55.369 56.100 0.200 0.000 0.880 1369 R CB 1.388 31.861 30.300 0.288 0.000 1.264 1369 R HN 0.640 nan 8.270 nan 0.000 0.465 1370 Y N 2.018 122.138 120.300 -0.300 0.000 2.342 1370 Y HA 0.405 4.955 4.550 0.000 0.000 0.338 1370 Y C -0.336 175.208 175.900 -0.592 0.000 0.965 1370 Y CA -0.700 57.032 58.100 -0.614 0.000 1.159 1370 Y CB 0.799 38.920 38.460 -0.565 0.000 1.157 1370 Y HN 0.308 nan 8.280 nan 0.000 0.486 1371 R N 3.773 123.698 120.500 -0.959 0.000 2.570 1371 R HA 0.366 4.706 4.340 0.000 0.000 0.277 1371 R C 0.174 176.012 176.300 -0.771 0.000 1.039 1371 R CA 0.790 56.432 56.100 -0.763 0.000 1.065 1371 R CB -0.033 29.971 30.300 -0.495 0.000 0.964 1371 R HN 1.082 nan 8.270 nan 0.000 0.428 1372 G N 2.784 111.363 108.800 -0.369 0.000 3.292 1372 G HA2 -0.210 3.750 3.960 0.000 0.000 0.636 1372 G HA3 -0.210 3.750 3.960 0.000 0.000 0.636 1372 G C -0.661 174.173 174.900 -0.111 0.000 1.069 1372 G CA -0.497 44.461 45.100 -0.236 0.000 0.890 1372 G HN 0.726 nan 8.290 nan 0.000 0.427 1373 D N 2.258 122.664 120.400 0.009 0.000 2.545 1373 D HA 0.373 5.013 4.640 0.000 0.000 0.227 1373 D C 0.704 177.054 176.300 0.084 0.000 1.150 1373 D CA 0.341 54.388 54.000 0.078 0.000 1.046 1373 D CB 0.129 40.969 40.800 0.068 0.000 1.098 1373 D HN 0.608 nan 8.370 nan 0.000 0.502 1374 Q N 1.541 121.420 119.800 0.132 0.000 2.296 1374 Q HA 0.245 4.585 4.340 0.000 0.000 0.254 1374 Q C -1.093 175.016 176.000 0.182 0.000 0.936 1374 Q CA -0.832 55.050 55.803 0.131 0.000 0.834 1374 Q CB 0.266 29.067 28.738 0.104 0.000 1.340 1374 Q HN -0.028 nan 8.270 nan 0.000 0.428 1375 D N 2.351 122.826 120.400 0.126 0.000 2.752 1375 D HA 0.196 4.836 4.640 0.000 0.000 0.225 1375 D C 0.180 176.491 176.300 0.018 0.000 1.104 1375 D CA 1.009 55.064 54.000 0.092 0.000 0.832 1375 D CB 0.508 41.346 40.800 0.063 0.000 1.161 1375 D HN 0.684 nan 8.370 nan 0.000 0.505 1376 A N 2.803 125.529 122.820 -0.156 0.000 2.445 1376 A HA 0.417 4.737 4.320 0.000 0.000 0.242 1376 A C 1.302 178.837 177.584 -0.081 0.000 1.075 1376 A CA -0.099 51.707 52.037 -0.386 0.000 0.777 1376 A CB 0.215 18.694 19.000 -0.869 0.000 1.013 1376 A HN 0.655 nan 8.150 nan 0.000 0.493 1377 T N 0.478 115.047 114.554 0.025 0.000 4.893 1377 T HA 0.328 4.678 4.350 0.000 0.000 0.358 1377 T C 0.701 175.477 174.700 0.128 0.000 1.100 1377 T CA 0.204 62.373 62.100 0.115 0.000 0.912 1377 T CB -0.171 68.830 68.868 0.221 0.000 1.794 1377 T HN 0.478 nan 8.240 nan 0.000 0.457 1378 M N 1.717 121.433 119.600 0.195 0.000 2.217 1378 M HA 0.364 4.844 4.480 0.000 0.000 0.352 1378 M C -0.596 175.800 176.300 0.160 0.000 1.376 1378 M CA 0.399 55.779 55.300 0.134 0.000 1.107 1378 M CB 0.281 32.889 32.600 0.014 0.000 1.723 1378 M HN 0.630 nan 8.290 nan 0.000 0.461 1379 S N 3.653 119.388 115.700 0.059 0.000 2.677 1379 S HA 0.813 5.283 4.470 0.000 0.000 0.304 1379 S C -1.043 173.451 174.600 -0.177 0.000 1.108 1379 S CA -0.703 57.449 58.200 -0.080 0.000 0.944 1379 S CB 1.430 64.591 63.200 -0.066 0.000 1.127 1379 S HN 0.519 nan 8.310 nan 0.000 0.511 1380 I N 1.387 121.666 120.570 -0.484 0.000 2.466 1380 I HA 0.398 4.568 4.170 0.000 0.000 0.289 1380 I C -1.076 174.725 176.117 -0.526 0.000 1.026 1380 I CA -0.195 60.756 61.300 -0.581 0.000 1.078 1380 I CB 1.440 38.919 38.000 -0.868 0.000 1.249 1380 I HN 0.380 nan 8.210 nan 0.000 0.429 1381 L N 5.195 126.197 121.223 -0.367 0.000 2.265 1381 L HA 0.418 4.758 4.340 0.000 0.000 0.288 1381 L C -0.544 176.178 176.870 -0.245 0.000 1.058 1381 L CA -0.294 54.393 54.840 -0.254 0.000 0.809 1381 L CB 0.849 42.814 42.059 -0.157 0.000 1.179 1381 L HN 0.524 nan 8.230 nan 0.000 0.429 1382 D N 5.131 125.438 120.400 -0.154 0.000 2.414 1382 D HA 0.454 5.094 4.640 0.000 0.000 0.232 1382 D C -0.614 175.652 176.300 -0.057 0.000 1.070 1382 D CA -0.218 53.724 54.000 -0.096 0.000 0.839 1382 D CB 0.957 41.755 40.800 -0.003 0.000 1.079 1382 D HN 0.225 nan 8.370 nan 0.000 0.521 1383 I N 1.927 122.474 120.570 -0.039 0.000 2.525 1383 I HA 0.363 4.533 4.170 0.000 0.000 0.301 1383 I C 0.159 176.299 176.117 0.037 0.000 0.992 1383 I CA -0.696 60.618 61.300 0.023 0.000 1.162 1383 I CB 1.930 39.976 38.000 0.077 0.000 1.332 1383 I HN 0.344 nan 8.210 nan 0.000 0.458 1384 S N 5.828 121.575 115.700 0.079 0.000 2.557 1384 S HA 0.623 5.093 4.470 0.000 0.000 0.291 1384 S C -0.582 174.077 174.600 0.099 0.000 1.116 1384 S CA -1.046 57.188 58.200 0.057 0.000 0.992 1384 S CB 1.648 64.857 63.200 0.015 0.000 1.028 1384 S HN 0.333 nan 8.310 nan 0.000 0.484 1385 M N 2.842 122.490 119.600 0.080 0.000 2.242 1385 M HA 0.321 4.801 4.480 0.000 0.000 0.344 1385 M C 0.313 176.604 176.300 -0.014 0.000 1.140 1385 M CA -0.055 55.306 55.300 0.103 0.000 1.160 1385 M CB 0.208 32.894 32.600 0.143 0.000 1.491 1385 M HN 0.761 nan 8.290 nan 0.000 0.459 1386 M N 1.242 120.772 119.600 -0.118 0.000 2.250 1386 M HA 0.038 4.518 4.480 0.000 0.000 0.325 1386 M C 0.860 177.182 176.300 0.037 0.000 1.084 1386 M CA 0.128 55.318 55.300 -0.184 0.000 1.161 1386 M CB 0.007 32.341 32.600 -0.443 0.000 1.481 1386 M HN 0.765 nan 8.290 nan 0.000 0.449 1387 T N -0.363 114.207 114.554 0.026 0.000 2.908 1387 T HA 0.331 4.681 4.350 0.000 0.000 0.301 1387 T C 1.112 175.845 174.700 0.055 0.000 1.019 1387 T CA 0.126 62.244 62.100 0.030 0.000 1.152 1387 T CB 0.323 69.201 68.868 0.015 0.000 0.966 1387 T HN 1.072 nan 8.240 nan 0.000 0.540 1388 G N 2.112 110.839 108.800 -0.123 0.000 2.143 1388 G HA2 -0.199 3.761 3.960 0.000 0.000 0.249 1388 G HA3 -0.199 3.761 3.960 0.000 0.000 0.249 1388 G C -0.157 174.314 174.900 -0.716 0.000 0.981 1388 G CA -0.065 44.717 45.100 -0.530 0.000 0.665 1388 G HN 0.760 nan 8.290 nan 0.000 0.528 1389 F N 0.543 120.336 119.950 -0.262 0.000 2.522 1389 F HA 0.771 5.298 4.527 0.000 0.000 0.324 1389 F C 0.408 176.310 175.800 0.171 0.000 1.077 1389 F CA -0.086 57.906 58.000 -0.015 0.000 0.944 1389 F CB 2.390 41.395 39.000 0.009 0.000 1.175 1389 F HN 0.380 nan 8.300 nan 0.000 0.468 1390 A N 3.375 126.360 122.820 0.275 0.000 2.498 1390 A HA 0.861 5.181 4.320 0.000 0.000 0.298 1390 A C -2.983 174.458 177.584 -0.238 0.000 1.075 1390 A CA -1.974 50.008 52.037 -0.092 0.000 0.714 1390 A CB 1.706 20.366 19.000 -0.567 0.000 1.299 1390 A HN 0.367 nan 8.150 nan 0.000 0.407 1391 P HA 0.258 nan 4.420 nan 0.000 0.274 1391 P C -0.983 176.161 177.300 -0.260 0.000 1.246 1391 P CA -0.054 62.959 63.100 -0.145 0.000 0.795 1391 P CB 0.505 32.063 31.700 -0.236 0.000 1.006 1392 D N -0.149 120.195 120.400 -0.094 0.000 2.339 1392 D HA 0.084 4.724 4.640 0.000 0.000 0.241 1392 D C 0.772 177.125 176.300 0.088 0.000 1.183 1392 D CA 0.151 54.206 54.000 0.091 0.000 0.859 1392 D CB 0.218 41.100 40.800 0.137 0.000 1.067 1392 D HN 0.192 nan 8.370 nan 0.000 0.484 1393 T N 2.243 116.909 114.554 0.186 0.000 2.653 1393 T HA -0.262 4.088 4.350 0.000 0.000 0.268 1393 T C 1.363 176.100 174.700 0.062 0.000 1.035 1393 T CA 1.575 63.734 62.100 0.098 0.000 1.154 1393 T CB -0.335 68.618 68.868 0.141 0.000 0.862 1393 T HN 0.497 nan 8.240 nan 0.000 0.441 1394 D N 1.273 121.735 120.400 0.104 0.000 2.160 1394 D HA -0.157 4.483 4.640 0.000 0.000 0.189 1394 D C 1.796 178.133 176.300 0.063 0.000 1.003 1394 D CA 1.710 55.759 54.000 0.083 0.000 0.846 1394 D CB -0.401 40.467 40.800 0.113 0.000 0.949 1394 D HN 0.346 nan 8.370 nan 0.000 0.446 1395 D N -0.875 119.571 120.400 0.077 0.000 2.117 1395 D HA -0.048 4.592 4.640 0.000 0.000 0.198 1395 D C 2.169 178.469 176.300 0.001 0.000 0.982 1395 D CA 0.479 54.523 54.000 0.072 0.000 0.828 1395 D CB -0.164 40.725 40.800 0.148 0.000 0.967 1395 D HN 0.253 nan 8.370 nan 0.000 0.464 1396 L N 0.425 121.593 121.223 -0.093 0.000 2.083 1396 L HA -0.168 4.172 4.340 0.000 0.000 0.209 1396 L C 2.137 178.954 176.870 -0.088 0.000 1.083 1396 L CA 1.198 55.925 54.840 -0.189 0.000 0.752 1396 L CB -0.352 41.538 42.059 -0.281 0.000 0.899 1396 L HN 0.022 nan 8.230 nan 0.000 0.433 1397 K N -0.372 120.004 120.400 -0.040 0.000 2.147 1397 K HA -0.243 4.077 4.320 0.000 0.000 0.205 1397 K C 2.138 178.742 176.600 0.006 0.000 1.049 1397 K CA 1.211 57.492 56.287 -0.010 0.000 0.936 1397 K CB -0.094 32.409 32.500 0.005 0.000 0.722 1397 K HN 0.102 nan 8.250 nan 0.000 0.446 1398 Q N 1.208 121.015 119.800 0.012 0.000 2.172 1398 Q HA -0.023 4.317 4.340 0.000 0.000 0.200 1398 Q C 1.720 177.736 176.000 0.026 0.000 0.964 1398 Q CA 1.270 57.088 55.803 0.025 0.000 0.855 1398 Q CB -0.085 28.674 28.738 0.035 0.000 0.918 1398 Q HN 0.294 nan 8.270 nan 0.000 0.444 1399 L N -0.320 120.912 121.223 0.015 0.000 2.141 1399 L HA -0.065 4.275 4.340 0.000 0.000 0.209 1399 L C 2.261 179.147 176.870 0.026 0.000 1.094 1399 L CA 1.038 55.890 54.840 0.020 0.000 0.763 1399 L CB -0.570 41.488 42.059 -0.002 0.000 0.908 1399 L HN 0.277 nan 8.230 nan 0.000 0.437 1400 A N -0.372 122.460 122.820 0.021 0.000 2.014 1400 A HA -0.154 4.166 4.320 0.000 0.000 0.218 1400 A C 2.027 179.653 177.584 0.070 0.000 1.163 1400 A CA 1.230 53.302 52.037 0.058 0.000 0.652 1400 A CB -0.571 18.461 19.000 0.052 0.000 0.808 1400 A HN 0.459 nan 8.150 nan 0.000 0.449 1401 N N 0.320 119.048 118.700 0.046 0.000 2.069 1401 N HA -0.101 4.639 4.740 0.000 0.000 0.191 1401 N C 1.163 176.696 175.510 0.038 0.000 1.031 1401 N CA 0.770 53.844 53.050 0.040 0.000 0.852 1401 N CB -0.330 38.175 38.487 0.030 0.000 1.018 1401 N HN 0.465 nan 8.380 nan 0.000 0.423 1402 G N 1.668 110.491 108.800 0.040 0.000 2.305 1402 G HA2 0.150 4.110 3.960 0.000 0.000 0.243 1402 G HA3 0.150 4.110 3.960 0.000 0.000 0.243 1402 G C 0.072 174.996 174.900 0.041 0.000 1.288 1402 G CA -0.157 44.965 45.100 0.038 0.000 0.901 1402 G HN 0.077 nan 8.290 nan 0.000 0.516 1403 V N 2.990 122.922 119.914 0.030 0.000 2.999 1403 V HA 0.200 4.320 4.120 0.000 0.000 0.307 1403 V C 0.867 176.982 176.094 0.035 0.000 1.084 1403 V CA 1.134 63.450 62.300 0.026 0.000 1.155 1403 V CB 0.711 32.542 31.823 0.014 0.000 0.975 1403 V HN 1.025 nan 8.190 nan 0.000 0.490 1404 D N 2.267 122.689 120.400 0.037 0.000 2.876 1404 D HA -0.125 4.515 4.640 0.000 0.000 0.196 1404 D C 0.143 176.484 176.300 0.068 0.000 1.014 1404 D CA 1.204 55.232 54.000 0.047 0.000 1.012 1404 D CB -0.895 39.931 40.800 0.042 0.000 1.080 1404 D HN 0.773 nan 8.370 nan 0.000 0.438 1405 R N -0.333 120.218 120.500 0.085 0.000 2.584 1405 R HA 0.523 4.864 4.340 0.000 0.000 0.276 1405 R C -1.588 174.827 176.300 0.192 0.000 1.046 1405 R CA -0.751 55.418 56.100 0.116 0.000 0.906 1405 R CB 2.347 32.694 30.300 0.077 0.000 1.215 1405 R HN 0.041 nan 8.270 nan 0.000 0.449 1406 Y N 3.756 124.096 120.300 0.067 0.000 2.354 1406 Y HA 0.514 5.064 4.550 0.000 0.000 0.330 1406 Y C -1.469 174.509 175.900 0.131 0.000 1.011 1406 Y CA -0.981 57.162 58.100 0.071 0.000 1.099 1406 Y CB 1.133 39.614 38.460 0.035 0.000 1.179 1406 Y HN 0.507 nan 8.280 nan 0.000 0.442 1407 I N 5.664 126.113 120.570 -0.202 0.000 2.474 1407 I HA 0.425 4.595 4.170 0.000 0.000 0.294 1407 I C 0.000 175.840 176.117 -0.463 0.000 1.005 1407 I CA -0.947 60.146 61.300 -0.345 0.000 1.113 1407 I CB 2.178 40.070 38.000 -0.179 0.000 1.289 1407 I HN 0.713 nan 8.210 nan 0.000 0.436 1408 S N 4.804 120.225 115.700 -0.466 0.000 2.632 1408 S HA 0.240 4.710 4.470 0.000 0.000 0.267 1408 S C 0.993 175.586 174.600 -0.012 0.000 1.276 1408 S CA -0.619 57.420 58.200 -0.268 0.000 0.998 1408 S CB 1.827 64.945 63.200 -0.137 0.000 0.953 1408 S HN 0.777 nan 8.310 nan 0.000 0.547 1409 K N 0.201 120.658 120.400 0.095 0.000 2.020 1409 K HA -0.257 4.063 4.320 0.000 0.000 0.212 1409 K C 1.892 178.541 176.600 0.081 0.000 1.050 1409 K CA 1.947 58.288 56.287 0.090 0.000 0.929 1409 K CB -0.548 32.020 32.500 0.114 0.000 0.714 1409 K HN 0.794 nan 8.250 nan 0.000 0.443 1410 Y N 1.354 121.652 120.300 -0.005 0.000 2.165 1410 Y HA -0.247 4.303 4.550 0.000 0.000 0.286 1410 Y C 2.156 178.035 175.900 -0.035 0.000 1.155 1410 Y CA 2.209 60.301 58.100 -0.013 0.000 1.164 1410 Y CB -0.041 38.417 38.460 -0.004 0.000 0.978 1410 Y HN 0.251 nan 8.280 nan 0.000 0.513 1411 E N -0.534 119.714 120.200 0.080 0.000 2.152 1411 E HA -0.110 4.240 4.350 0.000 0.000 0.192 1411 E C 1.764 178.305 176.600 -0.099 0.000 0.983 1411 E CA 0.958 57.345 56.400 -0.021 0.000 0.818 1411 E CB -0.211 29.472 29.700 -0.027 0.000 0.758 1411 E HN 0.373 nan 8.360 nan 0.000 0.467 1412 L N 0.780 121.957 121.223 -0.077 0.000 2.131 1412 L HA -0.058 4.282 4.340 0.000 0.000 0.206 1412 L C 1.632 178.459 176.870 -0.072 0.000 1.087 1412 L CA 1.456 56.255 54.840 -0.070 0.000 0.767 1412 L CB -0.645 41.390 42.059 -0.040 0.000 0.917 1412 L HN 0.099 nan 8.230 nan 0.000 0.441 1413 D N -0.050 120.293 120.400 -0.095 0.000 2.078 1413 D HA -0.155 4.485 4.640 0.000 0.000 0.193 1413 D C 1.102 177.312 176.300 -0.150 0.000 0.990 1413 D CA 0.728 54.663 54.000 -0.109 0.000 0.827 1413 D CB -0.224 40.505 40.800 -0.119 0.000 0.975 1413 D HN -0.037 nan 8.370 nan 0.000 0.451 1414 K N 1.291 121.531 120.400 -0.267 0.000 2.397 1414 K HA 0.001 4.321 4.320 0.000 0.000 0.263 1414 K C -0.239 176.284 176.600 -0.128 0.000 1.143 1414 K CA -0.040 56.094 56.287 -0.254 0.000 1.207 1414 K CB -0.077 32.221 32.500 -0.336 0.000 0.804 1414 K HN 0.057 nan 8.250 nan 0.000 0.494 1415 A N 4.620 127.395 122.820 -0.075 0.000 2.260 1415 A HA 0.289 4.609 4.320 0.000 0.000 0.278 1415 A C 0.744 178.363 177.584 0.059 0.000 1.269 1415 A CA -0.210 51.842 52.037 0.025 0.000 0.824 1415 A CB -0.188 18.820 19.000 0.015 0.000 1.238 1415 A HN 0.816 nan 8.150 nan 0.000 0.507 1416 F N 0.030 119.887 119.950 -0.156 0.000 2.449 1416 F HA -0.194 4.333 4.527 0.000 0.000 0.299 1416 F C 2.707 178.298 175.800 -0.347 0.000 1.092 1416 F CA 1.147 58.997 58.000 -0.251 0.000 1.446 1416 F CB -0.074 38.765 39.000 -0.268 0.000 1.084 1416 F HN 0.695 nan 8.300 nan 0.000 0.567 1417 S N 0.524 116.190 115.700 -0.057 0.000 2.320 1417 S HA -0.340 4.130 4.470 0.000 0.000 0.320 1417 S C 0.900 175.444 174.600 -0.093 0.000 1.090 1417 S CA 2.294 60.446 58.200 -0.079 0.000 1.631 1417 S CB -0.408 62.755 63.200 -0.062 0.000 1.389 1417 S HN 0.424 nan 8.310 nan 0.000 0.474 1418 D N 0.035 120.386 120.400 -0.082 0.000 3.060 1418 D HA 0.225 4.865 4.640 0.000 0.000 0.326 1418 D C -0.568 175.694 176.300 -0.062 0.000 1.253 1418 D CA -0.179 53.793 54.000 -0.047 0.000 0.737 1418 D CB 0.266 41.047 40.800 -0.030 0.000 1.260 1418 D HN 0.324 nan 8.370 nan 0.000 0.542 1419 R N 1.875 122.320 120.500 -0.092 0.000 4.306 1419 R HA 0.093 4.434 4.340 0.000 0.000 0.266 1419 R C 1.238 177.507 176.300 -0.051 0.000 1.624 1419 R CA -0.105 55.932 56.100 -0.104 0.000 1.487 1419 R CB -0.146 30.046 30.300 -0.179 0.000 1.441 1419 R HN 0.211 nan 8.270 nan 0.000 0.750 1420 N N -0.975 117.723 118.700 -0.003 0.000 2.422 1420 N HA -0.063 4.677 4.740 0.000 0.000 0.181 1420 N C 0.109 175.623 175.510 0.008 0.000 1.080 1420 N CA 0.149 53.219 53.050 0.033 0.000 0.893 1420 N CB 0.389 38.898 38.487 0.038 0.000 0.973 1420 N HN 0.116 nan 8.380 nan 0.000 0.456 1421 T N -0.984 113.560 114.554 -0.017 0.000 2.942 1421 T HA 0.691 5.041 4.350 0.000 0.000 0.289 1421 T C -0.595 174.084 174.700 -0.034 0.000 1.044 1421 T CA -0.900 61.188 62.100 -0.020 0.000 1.023 1421 T CB 2.285 71.136 68.868 -0.028 0.000 1.123 1421 T HN 0.119 nan 8.240 nan 0.000 0.512 1422 L N 0.295 121.492 121.223 -0.044 0.000 2.703 1422 L HA 0.645 4.985 4.340 0.000 0.000 0.257 1422 L C -2.242 174.556 176.870 -0.120 0.000 0.923 1422 L CA -0.742 54.048 54.840 -0.084 0.000 0.936 1422 L CB 1.392 43.390 42.059 -0.101 0.000 1.482 1422 L HN 0.902 nan 8.230 nan 0.000 0.432 1423 I N 5.587 126.049 120.570 -0.179 0.000 2.436 1423 I HA 0.492 4.662 4.170 0.000 0.000 0.289 1423 I C -0.644 175.246 176.117 -0.378 0.000 1.010 1423 I CA -0.539 60.567 61.300 -0.323 0.000 1.098 1423 I CB 1.926 39.657 38.000 -0.447 0.000 1.266 1423 I HN 0.497 nan 8.210 nan 0.000 0.434 1424 I N 6.693 127.044 120.570 -0.365 0.000 2.405 1424 I HA 0.272 4.442 4.170 0.000 0.000 0.280 1424 I C -0.767 175.189 176.117 -0.267 0.000 1.027 1424 I CA -0.589 60.560 61.300 -0.250 0.000 1.161 1424 I CB 0.557 38.479 38.000 -0.130 0.000 1.300 1424 I HN 0.413 nan 8.210 nan 0.000 0.463 1425 Y N 6.222 126.461 120.300 -0.102 0.000 2.346 1425 Y HA 0.384 4.934 4.550 0.000 0.000 0.330 1425 Y C 0.225 176.120 175.900 -0.009 0.000 1.178 1425 Y CA -0.118 57.951 58.100 -0.051 0.000 1.331 1425 Y CB 0.693 39.170 38.460 0.027 0.000 1.253 1425 Y HN 0.342 nan 8.280 nan 0.000 0.529 1426 L N 3.050 124.348 121.223 0.125 0.000 2.365 1426 L HA 0.341 4.681 4.340 0.000 0.000 0.273 1426 L C 0.070 176.990 176.870 0.083 0.000 1.000 1426 L CA -0.836 54.054 54.840 0.082 0.000 0.819 1426 L CB 1.820 43.900 42.059 0.034 0.000 1.284 1426 L HN 0.602 nan 8.230 nan 0.000 0.418 1427 D N 1.446 121.888 120.400 0.070 0.000 2.144 1427 D HA -0.085 4.555 4.640 0.000 0.000 0.200 1427 D C 0.292 176.620 176.300 0.048 0.000 0.978 1427 D CA 1.558 55.587 54.000 0.047 0.000 0.833 1427 D CB 0.184 41.004 40.800 0.033 0.000 0.961 1427 D HN 0.521 nan 8.370 nan 0.000 0.470 1428 K N -1.776 118.655 120.400 0.052 0.000 2.533 1428 K HA 0.674 4.994 4.320 0.000 0.000 0.284 1428 K C -1.537 175.104 176.600 0.067 0.000 1.025 1428 K CA -1.160 55.158 56.287 0.051 0.000 0.900 1428 K CB 2.469 34.996 32.500 0.045 0.000 1.519 1428 K HN -0.185 nan 8.250 nan 0.000 0.432 1429 V N -0.269 119.685 119.914 0.068 0.000 2.863 1429 V HA 0.448 4.568 4.120 0.000 0.000 0.259 1429 V C -1.457 174.700 176.094 0.105 0.000 1.683 1429 V CA 0.190 62.555 62.300 0.109 0.000 0.892 1429 V CB 1.269 33.204 31.823 0.186 0.000 1.222 1429 V HN 1.012 nan 8.190 nan 0.000 0.469 1430 S N 3.948 119.734 115.700 0.144 0.000 3.124 1430 S HA 0.676 5.146 4.470 0.000 0.000 0.234 1430 S C -0.215 174.537 174.600 0.255 0.000 1.045 1430 S CA 0.298 58.610 58.200 0.187 0.000 1.200 1430 S CB 1.242 64.526 63.200 0.140 0.000 1.186 1430 S HN 1.089 nan 8.310 nan 0.000 0.617 1431 H N 0.029 119.141 119.070 0.070 0.000 2.907 1431 H HA 0.558 5.114 4.556 0.000 0.000 0.233 1431 H C 0.806 176.146 175.328 0.021 0.000 1.285 1431 H CA -0.167 55.898 56.048 0.030 0.000 0.981 1431 H CB -0.242 29.510 29.762 -0.018 0.000 2.255 1431 H HN 0.274 nan 8.280 nan 0.000 0.601 1432 S N -0.121 115.613 115.700 0.055 0.000 2.396 1432 S HA -0.053 4.417 4.470 0.000 0.000 0.204 1432 S C 0.896 175.464 174.600 -0.053 0.000 1.060 1432 S CA 1.057 59.250 58.200 -0.011 0.000 1.098 1432 S CB 0.386 63.598 63.200 0.020 0.000 1.022 1432 S HN 0.497 nan 8.310 nan 0.000 0.413 1433 E N 0.929 121.129 120.200 0.000 0.000 3.565 1433 E HA 0.388 4.738 4.350 0.000 0.000 0.475 1433 E C -0.746 175.876 176.600 0.037 0.000 0.425 1433 E CA -0.184 56.215 56.400 -0.001 0.000 2.837 1433 E CB 0.185 29.894 29.700 0.015 0.000 2.245 1433 E HN 0.115 nan 8.360 nan 0.000 0.509 1434 D N 0.035 120.468 120.400 0.055 0.000 2.649 1434 D HA 0.277 4.917 4.640 0.000 0.000 0.249 1434 D C -1.457 174.887 176.300 0.074 0.000 1.112 1434 D CA -0.533 53.521 54.000 0.090 0.000 0.850 1434 D CB 1.228 42.073 40.800 0.076 0.000 1.399 1434 D HN 0.065 nan 8.370 nan 0.000 0.503 1435 D N 1.314 121.769 120.400 0.090 0.000 2.339 1435 D HA 0.217 4.857 4.640 0.000 0.000 0.256 1435 D C -0.494 175.838 176.300 0.055 0.000 1.214 1435 D CA 0.148 54.191 54.000 0.072 0.000 0.877 1435 D CB 0.357 41.208 40.800 0.084 0.000 1.111 1435 D HN 0.168 nan 8.370 nan 0.000 0.478 1436 c N 3.458 122.081 118.600 0.039 0.000 2.498 1436 c HA 0.767 5.337 4.570 0.000 0.000 0.316 1436 c C -0.520 173.582 174.090 0.020 0.000 1.209 1436 c CA -0.829 55.513 56.329 0.021 0.000 1.518 1436 c CB 0.338 42.855 42.510 0.013 0.000 2.147 1436 c HN 0.568 nan 8.230 nan 0.000 0.483 1437 L N 1.240 122.468 121.223 0.009 0.000 2.415 1437 L HA 1.106 5.446 4.340 0.000 0.000 0.256 1437 L C -0.587 176.275 176.870 -0.014 0.000 1.010 1437 L CA -0.748 54.108 54.840 0.026 0.000 0.826 1437 L CB 1.456 43.554 42.059 0.065 0.000 1.405 1437 L HN 0.852 nan 8.230 nan 0.000 0.410 1438 A N 1.217 124.044 122.820 0.012 0.000 2.574 1438 A HA 0.912 5.232 4.320 0.000 0.000 0.297 1438 A C -1.441 176.168 177.584 0.041 0.000 1.062 1438 A CA -0.365 51.617 52.037 -0.091 0.000 0.686 1438 A CB 1.254 20.195 19.000 -0.099 0.000 1.285 1438 A HN 1.442 nan 8.150 nan 0.000 0.403 1439 F N -0.707 119.213 119.950 -0.051 0.000 2.645 1439 F HA 0.794 5.321 4.527 0.000 0.000 0.310 1439 F C -0.406 175.369 175.800 -0.043 0.000 1.102 1439 F CA -1.129 56.848 58.000 -0.038 0.000 0.952 1439 F CB 1.155 40.127 39.000 -0.046 0.000 1.326 1439 F HN 0.473 nan 8.300 nan 0.000 0.456 1440 K N 1.226 121.740 120.400 0.191 0.000 2.219 1440 K HA 0.641 4.961 4.320 0.000 0.000 0.258 1440 K C -0.957 175.671 176.600 0.046 0.000 1.008 1440 K CA -0.574 55.768 56.287 0.092 0.000 0.928 1440 K CB 1.510 34.114 32.500 0.173 0.000 0.983 1440 K HN 0.671 nan 8.250 nan 0.000 0.484 1441 V N -0.584 119.332 119.914 0.003 0.000 2.612 1441 V HA 0.362 4.482 4.120 0.000 0.000 0.301 1441 V C -1.207 175.024 176.094 0.229 0.000 1.059 1441 V CA -1.031 61.307 62.300 0.063 0.000 0.886 1441 V CB 1.461 33.426 31.823 0.236 0.000 1.007 1441 V HN 0.672 nan 8.190 nan 0.000 0.426 1442 H N 3.252 122.504 119.070 0.302 0.000 2.488 1442 H HA 0.431 4.987 4.556 0.000 0.000 0.322 1442 H C -0.211 175.023 175.328 -0.156 0.000 1.078 1442 H CA -0.404 55.742 56.048 0.162 0.000 1.260 1442 H CB 1.960 31.901 29.762 0.297 0.000 1.425 1442 H HN 0.894 nan 8.280 nan 0.000 0.471 1443 Q N 3.429 122.913 119.800 -0.527 0.000 2.300 1443 Q HA 0.012 4.352 4.340 0.000 0.000 0.262 1443 Q C 0.121 175.956 176.000 -0.275 0.000 1.109 1443 Q CA -0.161 55.068 55.803 -0.958 0.000 0.905 1443 Q CB 0.182 28.323 28.738 -0.995 0.000 1.280 1443 Q HN 0.739 nan 8.270 nan 0.000 0.426 1444 Y N 3.251 123.480 120.300 -0.119 0.000 2.262 1444 Y HA 0.215 4.765 4.550 0.000 0.000 0.295 1444 Y C -0.034 175.847 175.900 -0.031 0.000 1.121 1444 Y CA -0.314 57.789 58.100 0.005 0.000 1.144 1444 Y CB 0.071 38.618 38.460 0.145 0.000 1.043 1444 Y HN 0.386 nan 8.280 nan 0.000 0.528 1445 F N 3.033 122.734 119.950 -0.414 0.000 2.410 1445 F HA 0.353 4.880 4.527 0.000 0.000 0.349 1445 F C -0.113 175.563 175.800 -0.206 0.000 1.117 1445 F CA -1.472 56.400 58.000 -0.213 0.000 1.104 1445 F CB 0.552 39.408 39.000 -0.241 0.000 1.122 1445 F HN 0.011 nan 8.300 nan 0.000 0.483 1446 N N 4.042 122.814 118.700 0.119 0.000 2.444 1446 N HA 0.423 5.163 4.740 0.000 0.000 0.271 1446 N C -1.312 174.295 175.510 0.162 0.000 1.069 1446 N CA 0.170 53.269 53.050 0.082 0.000 0.965 1446 N CB 1.358 39.859 38.487 0.024 0.000 1.092 1446 N HN 0.512 nan 8.380 nan 0.000 0.476 1447 V N 2.363 122.336 119.914 0.097 0.000 3.178 1447 V HA 0.324 4.444 4.120 0.000 0.000 0.302 1447 V C -0.529 175.603 176.094 0.064 0.000 1.262 1447 V CA -0.865 61.484 62.300 0.083 0.000 1.030 1447 V CB 2.086 33.940 31.823 0.051 0.000 1.074 1447 V HN 0.806 nan 8.190 nan 0.000 0.438 1448 E N 3.902 124.135 120.200 0.056 0.000 2.405 1448 E HA 0.490 4.840 4.350 0.000 0.000 0.253 1448 E C 0.749 177.385 176.600 0.059 0.000 1.257 1448 E CA 0.145 56.577 56.400 0.053 0.000 0.960 1448 E CB 0.997 30.721 29.700 0.040 0.000 1.077 1448 E HN 0.664 nan 8.360 nan 0.000 0.512 1449 L N -0.697 120.563 121.223 0.062 0.000 3.683 1449 L HA -0.406 3.934 4.340 0.000 0.000 0.053 1449 L C 1.000 177.946 176.870 0.127 0.000 4.276 1449 L CA 1.681 56.565 54.840 0.072 0.000 0.727 1449 L CB -2.310 39.770 42.059 0.036 0.000 3.467 1449 L HN 1.074 nan 8.230 nan 0.000 0.839 1450 I N -0.435 120.191 120.570 0.092 0.000 8.714 1450 I HA -0.278 3.892 4.170 0.000 0.000 0.126 1450 I C -0.127 176.054 176.117 0.107 0.000 1.854 1450 I CA 0.726 62.071 61.300 0.075 0.000 2.050 1450 I CB -0.031 37.976 38.000 0.011 0.000 3.870 1450 I HN 0.522 nan 8.210 nan 0.000 0.173 1451 Q N 8.319 128.150 119.800 0.053 0.000 2.286 1451 Q HA 0.538 4.878 4.340 0.000 0.000 0.257 1451 Q C -2.287 173.718 176.000 0.009 0.000 0.941 1451 Q CA -1.613 54.212 55.803 0.036 0.000 0.912 1451 Q CB 1.086 29.852 28.738 0.046 0.000 1.192 1451 Q HN 0.526 nan 8.270 nan 0.000 0.410 1452 P HA -0.087 nan 4.420 nan 0.000 0.263 1452 P C -0.407 176.781 177.300 -0.186 0.000 1.175 1452 P CA 0.386 63.475 63.100 -0.017 0.000 0.761 1452 P CB 0.472 32.177 31.700 0.008 0.000 0.794 1453 G N 1.818 110.222 108.800 -0.660 0.000 2.599 1453 G HA2 0.552 4.512 3.960 0.000 0.000 0.264 1453 G HA3 0.552 4.512 3.960 0.000 0.000 0.264 1453 G C -0.870 173.837 174.900 -0.321 0.000 1.200 1453 G CA -0.086 44.566 45.100 -0.747 0.000 0.896 1453 G HN 0.645 nan 8.290 nan 0.000 0.536 1454 A N -1.037 121.784 122.820 0.001 0.000 2.515 1454 A HA 0.777 5.097 4.320 0.000 0.000 0.296 1454 A C -1.282 176.316 177.584 0.024 0.000 1.094 1454 A CA -0.543 51.452 52.037 -0.071 0.000 0.718 1454 A CB 2.156 20.992 19.000 -0.273 0.000 1.307 1454 A HN 1.269 nan 8.150 nan 0.000 0.408 1455 V N 1.491 121.340 119.914 -0.108 0.000 2.567 1455 V HA 0.441 4.561 4.120 0.000 0.000 0.298 1455 V C -0.366 175.647 176.094 -0.135 0.000 1.047 1455 V CA -0.625 61.627 62.300 -0.081 0.000 0.880 1455 V CB 1.658 33.438 31.823 -0.072 0.000 1.009 1455 V HN 0.906 nan 8.190 nan 0.000 0.429 1456 K N 3.297 123.635 120.400 -0.103 0.000 2.207 1456 K HA 0.880 5.200 4.320 0.000 0.000 0.255 1456 K C -1.103 175.451 176.600 -0.076 0.000 0.941 1456 K CA -0.583 55.657 56.287 -0.079 0.000 0.825 1456 K CB 2.281 34.763 32.500 -0.029 0.000 1.119 1456 K HN 0.644 nan 8.250 nan 0.000 0.430 1457 V N 1.164 121.010 119.914 -0.112 0.000 2.709 1457 V HA 0.737 4.857 4.120 0.000 0.000 0.308 1457 V C -1.404 174.473 176.094 -0.362 0.000 1.062 1457 V CA -0.743 61.366 62.300 -0.318 0.000 0.901 1457 V CB 0.830 32.378 31.823 -0.459 0.000 1.003 1457 V HN 0.888 nan 8.190 nan 0.000 0.425 1458 Y N 1.768 121.694 120.300 -0.623 0.000 2.656 1458 Y HA 0.923 5.473 4.550 0.000 0.000 0.334 1458 Y C -0.209 175.465 175.900 -0.377 0.000 1.179 1458 Y CA -0.997 56.766 58.100 -0.561 0.000 1.050 1458 Y CB 1.048 39.338 38.460 -0.282 0.000 1.308 1458 Y HN 1.031 nan 8.280 nan 0.000 0.456 1459 A N 1.699 124.459 122.820 -0.100 0.000 2.363 1459 A HA 0.330 4.651 4.320 0.000 0.000 0.270 1459 A C 0.514 177.977 177.584 -0.201 0.000 1.121 1459 A CA -0.130 51.802 52.037 -0.174 0.000 0.800 1459 A CB -0.309 18.440 19.000 -0.418 0.000 1.052 1459 A HN 1.184 nan 8.150 nan 0.000 0.493 1460 Y N 2.065 122.300 120.300 -0.109 0.000 2.139 1460 Y HA -0.364 4.186 4.550 0.000 0.000 0.282 1460 Y C 1.563 177.526 175.900 0.106 0.000 1.179 1460 Y CA 2.210 60.339 58.100 0.048 0.000 1.161 1460 Y CB -0.999 37.515 38.460 0.090 0.000 0.970 1460 Y HN 0.756 nan 8.280 nan 0.000 0.511 1461 Y N 0.223 119.929 120.300 -0.989 0.000 2.583 1461 Y HA 0.250 4.800 4.550 0.000 0.000 0.293 1461 Y C -0.223 175.539 175.900 -0.229 0.000 1.157 1461 Y CA -0.177 57.483 58.100 -0.733 0.000 1.315 1461 Y CB -0.695 37.250 38.460 -0.859 0.000 1.021 1461 Y HN 0.268 nan 8.280 nan 0.000 0.536 1462 N N 0.720 119.160 118.700 -0.433 0.000 2.675 1462 N HA 0.179 4.919 4.740 0.000 0.000 0.254 1462 N C -0.029 175.411 175.510 -0.116 0.000 1.224 1462 N CA -0.235 52.692 53.050 -0.206 0.000 0.777 1462 N CB 0.693 39.027 38.487 -0.255 0.000 1.256 1462 N HN 0.202 nan 8.380 nan 0.000 0.531 1463 L N 2.494 123.633 121.223 -0.140 0.000 2.217 1463 L HA 0.107 4.447 4.340 0.000 0.000 0.211 1463 L C 1.663 178.375 176.870 -0.262 0.000 1.107 1463 L CA 1.845 56.473 54.840 -0.354 0.000 0.783 1463 L CB -0.014 41.834 42.059 -0.352 0.000 0.919 1463 L HN 0.551 nan 8.230 nan 0.000 0.442 1464 E N -0.349 119.775 120.200 -0.125 0.000 2.072 1464 E HA -0.139 4.211 4.350 0.000 0.000 0.190 1464 E C 0.423 177.003 176.600 -0.033 0.000 0.982 1464 E CA 0.674 57.032 56.400 -0.071 0.000 0.803 1464 E CB -0.104 29.577 29.700 -0.032 0.000 0.755 1464 E HN 0.543 nan 8.360 nan 0.000 0.453 1465 E N 2.008 122.209 120.200 0.002 0.000 1.795 1465 E HA 0.051 4.401 4.350 0.000 0.000 0.261 1465 E C -0.586 176.068 176.600 0.090 0.000 1.238 1465 E CA -0.278 56.163 56.400 0.068 0.000 1.001 1465 E CB 0.238 30.009 29.700 0.117 0.000 1.065 1465 E HN 0.076 nan 8.360 nan 0.000 0.418 1466 S N 1.000 116.726 115.700 0.045 0.000 2.667 1466 S HA 0.614 5.084 4.470 0.000 0.000 0.292 1466 S C -0.746 173.874 174.600 0.033 0.000 1.126 1466 S CA -0.992 57.215 58.200 0.012 0.000 0.881 1466 S CB 2.085 65.243 63.200 -0.070 0.000 1.132 1466 S HN 0.390 nan 8.310 nan 0.000 0.492 1467 c N 1.394 119.990 118.600 -0.006 0.000 2.547 1467 c HA 0.864 5.434 4.570 0.000 0.000 0.313 1467 c C -0.707 173.355 174.090 -0.048 0.000 1.191 1467 c CA 0.121 56.455 56.329 0.009 0.000 1.474 1467 c CB 0.832 43.379 42.510 0.062 0.000 2.081 1467 c HN 0.998 nan 8.230 nan 0.000 0.476 1468 T N 4.512 119.031 114.554 -0.059 0.000 2.881 1468 T HA 0.624 4.974 4.350 0.000 0.000 0.290 1468 T C -0.893 173.697 174.700 -0.185 0.000 1.000 1468 T CA -0.483 61.519 62.100 -0.163 0.000 0.978 1468 T CB 1.337 70.086 68.868 -0.199 0.000 0.997 1468 T HN 0.666 nan 8.240 nan 0.000 0.443 1469 R N 1.436 121.784 120.500 -0.254 0.000 2.621 1469 R HA 0.691 5.031 4.340 0.000 0.000 0.284 1469 R C -1.295 174.880 176.300 -0.209 0.000 0.998 1469 R CA -0.552 55.467 56.100 -0.136 0.000 0.895 1469 R CB 1.194 31.488 30.300 -0.010 0.000 1.195 1469 R HN 0.469 nan 8.270 nan 0.000 0.450 1470 F N 2.391 122.397 119.950 0.094 0.000 2.410 1470 F HA 0.549 5.076 4.527 0.000 0.000 0.324 1470 F C -0.076 175.836 175.800 0.187 0.000 1.093 1470 F CA -0.340 57.720 58.000 0.101 0.000 1.028 1470 F CB 0.920 39.931 39.000 0.019 0.000 1.309 1470 F HN 0.444 nan 8.300 nan 0.000 0.499 1471 Y N -1.162 119.255 120.300 0.196 0.000 2.521 1471 Y HA 0.634 5.184 4.550 0.000 0.000 0.332 1471 Y C -1.560 174.402 175.900 0.103 0.000 1.121 1471 Y CA -1.021 57.135 58.100 0.092 0.000 1.037 1471 Y CB 1.277 39.730 38.460 -0.011 0.000 1.330 1471 Y HN 0.720 nan 8.280 nan 0.000 0.452 1472 H N 2.863 121.955 119.070 0.037 0.000 3.037 1472 H HA 0.358 4.914 4.556 0.000 0.000 0.355 1472 H C -2.891 172.439 175.328 0.003 0.000 1.263 1472 H CA -2.326 53.687 56.048 -0.059 0.000 1.129 1472 H CB 3.446 33.169 29.762 -0.064 0.000 1.861 1472 H HN 0.549 nan 8.280 nan 0.000 0.546 1473 P HA 0.259 nan 4.420 nan 0.000 0.253 1473 P C 0.134 177.518 177.300 0.140 0.000 1.459 1473 P CA 0.548 63.647 63.100 -0.001 0.000 0.908 1473 P CB 0.624 32.270 31.700 -0.089 0.000 1.470 1474 E N -0.799 119.610 120.200 0.348 0.000 3.151 1474 E HA 0.082 4.433 4.350 0.000 0.000 0.246 1474 E C 1.307 177.972 176.600 0.108 0.000 1.150 1474 E CA -0.017 56.516 56.400 0.222 0.000 1.806 1474 E CB 0.122 29.964 29.700 0.237 0.000 2.295 1474 E HN 0.026 nan 8.360 nan 0.000 1.000 1475 K N 1.183 121.599 120.400 0.028 0.000 2.217 1475 K HA -0.000 4.320 4.320 0.000 0.000 0.202 1475 K C -0.297 176.303 176.600 -0.001 0.000 1.051 1475 K CA 0.730 56.962 56.287 -0.092 0.000 0.952 1475 K CB 0.119 32.438 32.500 -0.302 0.000 0.736 1475 K HN -0.022 nan 8.250 nan 0.000 0.453 1476 E N 0.827 121.068 120.200 0.068 0.000 7.656 1476 E HA -0.197 4.153 4.350 0.000 0.000 0.464 1476 E C -0.221 176.423 176.600 0.072 0.000 0.427 1476 E CA 1.098 57.547 56.400 0.080 0.000 0.757 1476 E CB -0.719 29.018 29.700 0.062 0.000 0.971 1476 E HN 0.418 nan 8.360 nan 0.000 0.293 1477 D N -0.398 120.064 120.400 0.103 0.000 3.006 1477 D HA -0.196 4.444 4.640 0.000 0.000 0.208 1477 D C 0.816 177.213 176.300 0.162 0.000 1.116 1477 D CA 2.888 56.965 54.000 0.128 0.000 0.998 1477 D CB -1.414 39.443 40.800 0.095 0.000 1.124 1477 D HN 1.215 nan 8.370 nan 0.000 0.413 1478 G N -0.297 108.585 108.800 0.136 0.000 2.379 1478 G HA2 -0.390 3.570 3.960 0.000 0.000 0.297 1478 G HA3 -0.390 3.570 3.960 0.000 0.000 0.297 1478 G C 0.096 174.957 174.900 -0.064 0.000 1.004 1478 G CA 0.912 46.072 45.100 0.100 0.000 0.921 1478 G HN 0.404 nan 8.290 nan 0.000 0.511 1479 K N -0.487 119.856 120.400 -0.096 0.000 2.172 1479 K HA 0.643 4.963 4.320 0.000 0.000 0.276 1479 K C 1.078 177.562 176.600 -0.193 0.000 1.013 1479 K CA -0.574 55.610 56.287 -0.171 0.000 0.913 1479 K CB 0.804 33.249 32.500 -0.092 0.000 1.055 1479 K HN 0.256 nan 8.250 nan 0.000 0.461 1480 L N 2.634 123.727 121.223 -0.217 0.000 2.452 1480 L HA 0.139 4.479 4.340 0.000 0.000 0.267 1480 L C 0.142 176.934 176.870 -0.129 0.000 1.188 1480 L CA -0.120 54.612 54.840 -0.181 0.000 0.821 1480 L CB 0.346 42.305 42.059 -0.167 0.000 1.102 1480 L HN 0.638 nan 8.230 nan 0.000 0.470 1481 N N 2.757 121.390 118.700 -0.111 0.000 2.406 1481 N HA 0.138 4.878 4.740 0.000 0.000 0.265 1481 N C -0.956 174.512 175.510 -0.070 0.000 1.203 1481 N CA -0.139 52.864 53.050 -0.079 0.000 0.945 1481 N CB 0.305 38.753 38.487 -0.065 0.000 1.165 1481 N HN 0.441 nan 8.380 nan 0.000 0.485 1482 K N 1.271 121.631 120.400 -0.066 0.000 2.468 1482 K HA 0.445 4.765 4.320 0.000 0.000 0.252 1482 K C -1.497 175.051 176.600 -0.087 0.000 0.932 1482 K CA -0.997 55.246 56.287 -0.074 0.000 0.794 1482 K CB 1.666 34.131 32.500 -0.058 0.000 1.241 1482 K HN 0.120 nan 8.250 nan 0.000 0.428 1483 L N 2.511 123.639 121.223 -0.158 0.000 2.276 1483 L HA 0.429 4.769 4.340 0.000 0.000 0.286 1483 L C -1.396 175.398 176.870 -0.127 0.000 1.061 1483 L CA 0.205 54.896 54.840 -0.247 0.000 0.807 1483 L CB 0.889 42.630 42.059 -0.530 0.000 1.177 1483 L HN 0.892 nan 8.230 nan 0.000 0.429 1484 c N 5.070 123.667 118.600 -0.004 0.000 2.698 1484 c HA 0.767 5.337 4.570 0.000 0.000 0.309 1484 c C -0.482 173.734 174.090 0.210 0.000 1.186 1484 c CA -0.938 55.483 56.329 0.153 0.000 1.474 1484 c CB 1.877 44.428 42.510 0.070 0.000 2.020 1484 c HN 0.880 nan 8.230 nan 0.000 0.474 1485 R N 2.422 123.058 120.500 0.226 0.000 2.523 1485 R HA 0.321 4.662 4.340 0.000 0.000 0.278 1485 R C -0.520 175.757 176.300 -0.039 0.000 1.150 1485 R CA -0.166 55.972 56.100 0.063 0.000 0.987 1485 R CB 0.964 31.274 30.300 0.016 0.000 1.232 1485 R HN 1.030 nan 8.270 nan 0.000 0.424 1486 D N 2.282 122.666 120.400 -0.027 0.000 4.134 1486 D HA -0.314 4.326 4.640 0.000 0.000 0.141 1486 D C 0.769 177.053 176.300 -0.028 0.000 0.779 1486 D CA 2.580 56.557 54.000 -0.039 0.000 1.126 1486 D CB -0.502 40.252 40.800 -0.078 0.000 0.523 1486 D HN 0.786 nan 8.370 nan 0.000 0.513 1487 E N 0.863 121.032 120.200 -0.051 0.000 2.042 1487 E HA 0.133 4.483 4.350 0.000 0.000 0.189 1487 E C 1.439 178.028 176.600 -0.019 0.000 0.974 1487 E CA 0.560 56.938 56.400 -0.037 0.000 0.806 1487 E CB 0.074 29.743 29.700 -0.052 0.000 0.769 1487 E HN 0.579 nan 8.360 nan 0.000 0.451 1488 L N -0.660 120.553 121.223 -0.017 0.000 2.387 1488 L HA 0.655 4.995 4.340 0.000 0.000 0.266 1488 L C -0.896 176.067 176.870 0.155 0.000 1.059 1488 L CA -1.061 53.803 54.840 0.039 0.000 0.801 1488 L CB 1.605 43.680 42.059 0.027 0.000 1.223 1488 L HN 0.036 nan 8.230 nan 0.000 0.456 1489 c N 0.869 119.560 118.600 0.152 0.000 2.888 1489 c HA 0.667 5.237 4.570 0.000 0.000 0.308 1489 c C -0.435 173.705 174.090 0.083 0.000 1.213 1489 c CA -0.747 55.672 56.329 0.149 0.000 1.461 1489 c CB 2.183 44.723 42.510 0.051 0.000 1.934 1489 c HN 0.822 nan 8.230 nan 0.000 0.474 1490 R N 0.562 121.050 120.500 -0.020 0.000 2.664 1490 R HA 0.482 4.822 4.340 0.000 0.000 0.286 1490 R C -0.714 175.533 176.300 -0.088 0.000 0.967 1490 R CA -0.357 55.696 56.100 -0.079 0.000 0.933 1490 R CB 1.722 31.889 30.300 -0.222 0.000 1.146 1490 R HN 0.847 nan 8.270 nan 0.000 0.468 1491 c N 1.951 120.519 118.600 -0.054 0.000 2.415 1491 c HA 0.421 4.991 4.570 0.000 0.000 0.369 1491 c C 1.480 175.541 174.090 -0.050 0.000 1.279 1491 c CA -0.097 56.205 56.329 -0.044 0.000 1.886 1491 c CB -0.364 42.138 42.510 -0.012 0.000 2.468 1491 c HN 0.862 nan 8.230 nan 0.000 0.553 1492 A N 3.893 126.678 122.820 -0.059 0.000 2.308 1492 A HA 0.156 4.476 4.320 0.000 0.000 0.217 1492 A C 1.824 179.387 177.584 -0.034 0.000 1.216 1492 A CA 0.320 52.326 52.037 -0.052 0.000 0.864 1492 A CB -0.201 18.764 19.000 -0.058 0.000 0.902 1492 A HN 0.897 nan 8.150 nan 0.000 0.499 1493 E N 1.349 121.528 120.200 -0.034 0.000 2.338 1493 E HA -0.117 4.233 4.350 0.000 0.000 0.197 1493 E C 0.749 177.335 176.600 -0.024 0.000 1.007 1493 E CA 0.599 56.979 56.400 -0.034 0.000 0.849 1493 E CB -0.269 29.407 29.700 -0.041 0.000 0.774 1493 E HN 0.955 nan 8.360 nan 0.000 0.506 1494 E N 1.371 121.563 120.200 -0.013 0.000 2.455 1494 E HA -0.013 4.337 4.350 0.000 0.000 0.259 1494 E C 0.273 176.853 176.600 -0.033 0.000 1.245 1494 E CA -0.481 55.908 56.400 -0.020 0.000 1.013 1494 E CB 0.297 29.992 29.700 -0.007 0.000 0.978 1494 E HN -0.193 nan 8.360 nan 0.000 0.479 1495 N N -0.316 118.352 118.700 -0.054 0.000 2.374 1495 N HA -0.066 4.674 4.740 0.000 0.000 0.241 1495 N C 0.688 176.168 175.510 -0.050 0.000 1.262 1495 N CA -0.059 52.941 53.050 -0.085 0.000 0.880 1495 N CB 0.610 39.020 38.487 -0.128 0.000 1.105 1495 N HN 0.502 nan 8.380 nan 0.000 0.438 1496 c N 0.938 119.491 118.600 -0.079 0.000 2.446 1496 c HA -0.001 4.569 4.570 0.000 0.000 0.277 1496 c C 0.811 175.050 174.090 0.249 0.000 1.275 1496 c CA 0.649 57.022 56.329 0.073 0.000 1.727 1496 c CB -1.260 41.316 42.510 0.110 0.000 2.010 1496 c HN 0.776 nan 8.230 nan 0.000 0.486 1497 F N -3.743 116.220 119.950 0.022 0.000 2.926 1497 F HA 0.540 5.067 4.527 0.000 0.000 0.321 1497 F C -0.951 174.862 175.800 0.021 0.000 1.168 1497 F CA -1.639 56.388 58.000 0.046 0.000 0.890 1497 F CB -0.004 39.040 39.000 0.074 0.000 1.357 1497 F HN -0.272 nan 8.300 nan 0.000 0.468 1498 I N 3.069 123.764 120.570 0.207 0.000 2.664 1498 I HA -0.031 4.139 4.170 0.000 0.000 0.284 1498 I C 1.010 177.037 176.117 -0.150 0.000 1.154 1498 I CA 0.341 61.584 61.300 -0.094 0.000 1.402 1498 I CB 1.028 38.835 38.000 -0.322 0.000 1.395 1498 I HN 0.734 nan 8.210 nan 0.000 0.545 1499 Q N 6.893 126.516 119.800 -0.296 0.000 1.941 1499 Q HA 0.002 4.342 4.340 0.000 0.000 0.201 1499 Q C 0.836 176.746 176.000 -0.150 0.000 0.982 1499 Q CA 0.892 56.519 55.803 -0.293 0.000 0.839 1499 Q CB 0.162 28.738 28.738 -0.271 0.000 0.904 1499 Q HN 0.637 nan 8.270 nan 0.000 0.427 1504 K N 1.600 121.985 120.400 -0.025 0.000 2.245 1504 K HA 0.285 4.605 4.320 0.000 0.000 0.281 1504 K C -1.020 175.560 176.600 -0.033 0.000 1.079 1504 K CA 0.082 56.355 56.287 -0.024 0.000 1.000 1504 K CB -0.180 32.305 32.500 -0.024 0.000 1.038 1504 K HN 0.127 nan 8.250 nan 0.000 0.430 1505 V N 4.262 124.164 119.914 -0.020 0.000 2.289 1505 V HA 0.072 4.192 4.120 0.000 0.000 0.272 1505 V C 0.007 176.099 176.094 -0.004 0.000 1.026 1505 V CA -0.888 61.400 62.300 -0.021 0.000 0.807 1505 V CB 0.869 32.690 31.823 -0.003 0.000 1.044 1505 V HN 0.808 nan 8.190 nan 0.000 0.443 1506 T N 2.649 117.203 114.554 0.000 0.000 2.802 1506 T HA 0.177 4.527 4.350 0.000 0.000 0.305 1506 T C 1.436 176.160 174.700 0.040 0.000 1.053 1506 T CA -0.382 61.727 62.100 0.015 0.000 1.058 1506 T CB 1.297 70.174 68.868 0.015 0.000 0.988 1506 T HN 0.399 nan 8.240 nan 0.000 0.539 1507 L N 0.323 121.577 121.223 0.052 0.000 2.013 1507 L HA -0.169 4.171 4.340 0.000 0.000 0.212 1507 L C 2.764 179.713 176.870 0.131 0.000 1.073 1507 L CA 1.958 56.858 54.840 0.099 0.000 0.753 1507 L CB -0.434 41.675 42.059 0.083 0.000 0.890 1507 L HN 0.893 nan 8.230 nan 0.000 0.432 1508 E N -0.398 119.852 120.200 0.084 0.000 2.118 1508 E HA -0.249 4.101 4.350 0.000 0.000 0.195 1508 E C 1.907 178.565 176.600 0.096 0.000 0.992 1508 E CA 1.445 57.892 56.400 0.078 0.000 0.804 1508 E CB 0.082 29.806 29.700 0.041 0.000 0.741 1508 E HN 0.593 nan 8.360 nan 0.000 0.458 1509 E N 0.444 120.692 120.200 0.080 0.000 2.031 1509 E HA -0.211 4.139 4.350 0.000 0.000 0.193 1509 E C 2.308 179.001 176.600 0.154 0.000 0.994 1509 E CA 0.832 57.275 56.400 0.072 0.000 0.800 1509 E CB -0.336 29.372 29.700 0.014 0.000 0.752 1509 E HN 0.270 nan 8.360 nan 0.000 0.447 1510 R N 0.681 121.305 120.500 0.207 0.000 2.080 1510 R HA -0.096 4.244 4.340 0.000 0.000 0.236 1510 R C 2.721 179.360 176.300 0.565 0.000 1.137 1510 R CA 1.154 57.499 56.100 0.409 0.000 0.943 1510 R CB -0.563 29.894 30.300 0.262 0.000 0.846 1510 R HN 0.157 nan 8.270 nan 0.000 0.431 1511 L N 0.767 122.267 121.223 0.462 0.000 2.042 1511 L HA -0.251 4.089 4.340 0.000 0.000 0.210 1511 L C 1.886 178.864 176.870 0.180 0.000 1.076 1511 L CA 1.281 56.307 54.840 0.309 0.000 0.749 1511 L CB -0.496 41.664 42.059 0.169 0.000 0.893 1511 L HN 0.216 nan 8.230 nan 0.000 0.432 1512 D N 0.008 120.504 120.400 0.159 0.000 2.084 1512 D HA -0.161 4.479 4.640 0.000 0.000 0.196 1512 D C 2.198 178.575 176.300 0.129 0.000 0.985 1512 D CA 1.191 55.255 54.000 0.106 0.000 0.826 1512 D CB -0.108 40.740 40.800 0.079 0.000 0.978 1512 D HN 0.187 nan 8.370 nan 0.000 0.456 1513 K N 0.441 120.966 120.400 0.209 0.000 2.103 1513 K HA -0.060 4.260 4.320 0.000 0.000 0.207 1513 K C 1.984 178.757 176.600 0.288 0.000 1.048 1513 K CA 1.262 57.720 56.287 0.286 0.000 0.930 1513 K CB -0.058 32.670 32.500 0.379 0.000 0.716 1513 K HN 0.043 nan 8.250 nan 0.000 0.444 1514 A N 0.004 122.931 122.820 0.178 0.000 2.067 1514 A HA -0.088 4.232 4.320 0.000 0.000 0.217 1514 A C 1.982 179.436 177.584 -0.216 0.000 1.156 1514 A CA 0.824 52.640 52.037 -0.368 0.000 0.683 1514 A CB -0.354 18.334 19.000 -0.520 0.000 0.808 1514 A HN 0.383 nan 8.150 nan 0.000 0.455 1515 c N 0.423 118.985 118.600 -0.063 0.000 2.618 1515 c HA 0.161 4.731 4.570 0.000 0.000 0.264 1515 c C 0.965 175.037 174.090 -0.030 0.000 1.334 1515 c CA -0.542 55.754 56.329 -0.054 0.000 1.731 1515 c CB -1.436 41.061 42.510 -0.022 0.000 1.852 1515 c HN 0.532 nan 8.230 nan 0.000 0.566 1516 E N 1.876 122.068 120.200 -0.014 0.000 2.392 1516 E HA 0.027 4.378 4.350 0.000 0.000 0.264 1516 E C -1.295 175.299 176.600 -0.011 0.000 1.024 1516 E CA -0.878 55.523 56.400 0.001 0.000 0.903 1516 E CB 0.767 30.482 29.700 0.025 0.000 0.963 1516 E HN 0.261 nan 8.360 nan 0.000 0.432 1517 P HA -0.102 nan 4.420 nan 0.000 0.226 1517 P C 1.143 178.453 177.300 0.017 0.000 1.153 1517 P CA 0.768 63.873 63.100 0.008 0.000 0.777 1517 P CB 0.238 31.947 31.700 0.016 0.000 0.794 1518 G N 0.733 109.545 108.800 0.020 0.000 2.422 1518 G HA2 -0.140 3.820 3.960 0.000 0.000 0.218 1518 G HA3 -0.140 3.820 3.960 0.000 0.000 0.218 1518 G C 0.650 175.564 174.900 0.023 0.000 1.146 1518 G CA 0.197 45.316 45.100 0.031 0.000 0.769 1518 G HN 0.221 nan 8.290 nan 0.000 0.547 1519 V N 1.819 121.725 119.914 -0.014 0.000 2.390 1519 V HA 0.069 4.189 4.120 0.000 0.000 0.260 1519 V C 1.170 177.221 176.094 -0.073 0.000 1.043 1519 V CA 0.335 62.584 62.300 -0.084 0.000 1.047 1519 V CB 0.892 32.590 31.823 -0.209 0.000 1.066 1519 V HN 0.326 nan 8.190 nan 0.000 0.481 1520 D N 3.793 124.192 120.400 -0.002 0.000 2.137 1520 D HA -0.021 4.619 4.640 0.000 0.000 0.202 1520 D C 0.502 176.909 176.300 0.178 0.000 0.970 1520 D CA 1.125 55.209 54.000 0.141 0.000 0.837 1520 D CB 0.252 41.230 40.800 0.297 0.000 0.981 1520 D HN 0.693 nan 8.370 nan 0.000 0.475 1521 Y N -2.288 117.996 120.300 -0.027 0.000 2.570 1521 Y HA 0.680 5.230 4.550 0.000 0.000 0.345 1521 Y C -1.277 174.424 175.900 -0.332 0.000 1.014 1521 Y CA -1.447 56.539 58.100 -0.190 0.000 1.063 1521 Y CB 1.525 39.809 38.460 -0.295 0.000 1.272 1521 Y HN -0.298 nan 8.280 nan 0.000 0.477 1522 V N 3.009 122.712 119.914 -0.351 0.000 2.653 1522 V HA 0.340 4.460 4.120 0.000 0.000 0.298 1522 V C -1.666 174.452 176.094 0.039 0.000 1.097 1522 V CA -0.804 61.361 62.300 -0.225 0.000 0.908 1522 V CB 0.976 32.694 31.823 -0.175 0.000 1.024 1522 V HN 0.729 nan 8.190 nan 0.000 0.435 1523 Y N 1.856 122.345 120.300 0.316 0.000 2.536 1523 Y HA 0.589 5.139 4.550 0.000 0.000 0.347 1523 Y C 0.085 176.155 175.900 0.284 0.000 1.000 1523 Y CA -1.909 56.353 58.100 0.270 0.000 1.051 1523 Y CB 1.919 40.522 38.460 0.237 0.000 1.259 1523 Y HN 0.525 nan 8.280 nan 0.000 0.468 1524 K N 1.908 122.548 120.400 0.401 0.000 2.262 1524 K HA 0.463 4.783 4.320 0.000 0.000 0.282 1524 K C -0.313 176.359 176.600 0.121 0.000 1.066 1524 K CA -0.219 56.204 56.287 0.228 0.000 0.901 1524 K CB 0.473 32.926 32.500 -0.078 0.000 1.089 1524 K HN 0.886 nan 8.250 nan 0.000 0.476 1525 T N 1.069 115.692 114.554 0.115 0.000 2.949 1525 T HA 0.467 4.817 4.350 0.000 0.000 0.287 1525 T C -0.493 174.172 174.700 -0.057 0.000 1.034 1525 T CA -1.033 61.086 62.100 0.032 0.000 1.018 1525 T CB 1.476 70.355 68.868 0.018 0.000 1.135 1525 T HN 0.612 nan 8.240 nan 0.000 0.532 1526 R N 1.129 121.552 120.500 -0.129 0.000 2.502 1526 R HA 0.448 4.788 4.340 0.000 0.000 0.298 1526 R C -1.389 174.850 176.300 -0.103 0.000 1.018 1526 R CA -0.922 55.005 56.100 -0.288 0.000 0.899 1526 R CB 1.183 31.188 30.300 -0.492 0.000 1.181 1526 R HN 0.627 nan 8.270 nan 0.000 0.444 1527 L N 6.218 127.449 121.223 0.013 0.000 2.565 1527 L HA 0.063 4.403 4.340 0.000 0.000 0.275 1527 L C 0.354 177.239 176.870 0.026 0.000 1.137 1527 L CA 0.627 55.503 54.840 0.060 0.000 0.915 1527 L CB 1.082 43.224 42.059 0.139 0.000 1.232 1527 L HN 0.622 nan 8.230 nan 0.000 0.473 1528 V N 4.090 124.018 119.914 0.022 0.000 2.273 1528 V HA 0.026 4.146 4.120 0.000 0.000 0.242 1528 V C 1.012 177.124 176.094 0.030 0.000 1.035 1528 V CA 1.080 63.387 62.300 0.012 0.000 1.013 1528 V CB -0.350 31.479 31.823 0.010 0.000 0.652 1528 V HN 0.788 nan 8.190 nan 0.000 0.452 1529 K N -0.145 120.283 120.400 0.047 0.000 2.468 1529 K HA 0.547 4.867 4.320 0.000 0.000 0.252 1529 K C -1.821 174.803 176.600 0.041 0.000 0.932 1529 K CA -0.444 55.865 56.287 0.035 0.000 0.794 1529 K CB 2.504 35.017 32.500 0.021 0.000 1.241 1529 K HN -0.006 nan 8.250 nan 0.000 0.428 1530 V N 4.655 124.577 119.914 0.013 0.000 2.266 1530 V HA 0.226 4.346 4.120 0.000 0.000 0.271 1530 V C -0.677 175.345 176.094 -0.121 0.000 1.032 1530 V CA -0.706 61.566 62.300 -0.047 0.000 0.806 1530 V CB 0.991 32.834 31.823 0.034 0.000 1.052 1530 V HN 0.743 nan 8.190 nan 0.000 0.449 1531 Q N 4.024 123.719 119.800 -0.175 0.000 2.389 1531 Q HA 0.448 4.788 4.340 0.000 0.000 0.244 1531 Q C -0.576 175.272 176.000 -0.253 0.000 1.056 1531 Q CA -0.453 55.248 55.803 -0.170 0.000 0.908 1531 Q CB 1.339 29.997 28.738 -0.134 0.000 1.273 1531 Q HN 0.545 nan 8.270 nan 0.000 0.471 1532 L N 0.903 122.006 121.223 -0.202 0.000 2.479 1532 L HA 0.409 4.749 4.340 0.000 0.000 0.248 1532 L C 0.470 177.215 176.870 -0.209 0.000 1.205 1532 L CA 0.432 55.151 54.840 -0.201 0.000 0.817 1532 L CB 0.973 42.960 42.059 -0.120 0.000 1.162 1532 L HN 0.516 nan 8.230 nan 0.000 0.486 1533 S N -1.614 113.970 115.700 -0.193 0.000 2.661 1533 S HA 0.359 4.829 4.470 0.000 0.000 0.268 1533 S C 0.101 174.627 174.600 -0.123 0.000 1.162 1533 S CA -0.610 57.468 58.200 -0.203 0.000 0.817 1533 S CB 0.908 63.878 63.200 -0.383 0.000 1.141 1533 S HN 0.594 nan 8.310 nan 0.000 0.477 1534 N N 1.055 119.698 118.700 -0.096 0.000 2.395 1534 N HA 0.023 4.763 4.740 0.000 0.000 0.175 1534 N C 0.547 176.051 175.510 -0.009 0.000 1.029 1534 N CA 1.338 54.365 53.050 -0.038 0.000 0.897 1534 N CB -0.039 38.436 38.487 -0.019 0.000 0.991 1534 N HN 0.706 nan 8.380 nan 0.000 0.441 1535 D N 0.029 120.429 120.400 0.001 0.000 3.012 1535 D HA -0.021 4.619 4.640 0.000 0.000 0.284 1535 D C 0.443 176.826 176.300 0.137 0.000 1.259 1535 D CA 0.083 54.138 54.000 0.090 0.000 1.036 1535 D CB -0.667 40.243 40.800 0.184 0.000 1.167 1535 D HN 0.216 nan 8.370 nan 0.000 0.429 1536 F N 0.960 120.900 119.950 -0.015 0.000 2.427 1536 F HA 0.586 5.113 4.527 0.000 0.000 0.348 1536 F C -0.827 174.952 175.800 -0.035 0.000 1.125 1536 F CA -1.350 56.638 58.000 -0.019 0.000 0.989 1536 F CB 1.270 40.254 39.000 -0.026 0.000 1.165 1536 F HN -0.364 nan 8.300 nan 0.000 0.442 1537 D N 3.750 124.118 120.400 -0.054 0.000 2.302 1537 D HA 0.217 4.858 4.640 0.000 0.000 0.248 1537 D C -0.431 175.741 176.300 -0.214 0.000 1.094 1537 D CA -0.017 53.842 54.000 -0.235 0.000 0.897 1537 D CB 1.512 42.175 40.800 -0.227 0.000 1.200 1537 D HN 0.722 nan 8.370 nan 0.000 0.429 1538 E N 0.812 120.789 120.200 -0.372 0.000 2.207 1538 E HA 0.425 4.776 4.350 0.000 0.000 0.270 1538 E C -0.937 175.396 176.600 -0.445 0.000 0.927 1538 E CA -0.781 55.510 56.400 -0.182 0.000 0.799 1538 E CB 1.562 31.238 29.700 -0.040 0.000 1.172 1538 E HN 0.322 nan 8.360 nan 0.000 0.404 1539 Y N 1.154 121.535 120.300 0.135 0.000 2.327 1539 Y HA 0.333 4.883 4.550 0.000 0.000 0.325 1539 Y C -0.650 175.344 175.900 0.156 0.000 0.999 1539 Y CA -0.915 57.243 58.100 0.096 0.000 1.195 1539 Y CB 0.815 39.294 38.460 0.032 0.000 1.132 1539 Y HN 0.367 nan 8.280 nan 0.000 0.455 1540 I N 5.009 125.704 120.570 0.208 0.000 2.308 1540 I HA 0.193 4.363 4.170 0.000 0.000 0.293 1540 I C -0.328 175.881 176.117 0.154 0.000 1.078 1540 I CA -0.085 61.321 61.300 0.176 0.000 1.292 1540 I CB 0.135 38.195 38.000 0.100 0.000 1.423 1540 I HN 0.445 nan 8.210 nan 0.000 0.493 1541 M N 5.608 125.325 119.600 0.195 0.000 2.149 1541 M HA 0.498 4.978 4.480 0.000 0.000 0.342 1541 M C 0.036 176.375 176.300 0.064 0.000 1.068 1541 M CA -0.573 54.791 55.300 0.108 0.000 0.991 1541 M CB 1.460 34.114 32.600 0.089 0.000 1.596 1541 M HN 0.588 nan 8.290 nan 0.000 0.439 1542 A N 5.153 127.975 122.820 0.004 0.000 2.401 1542 A HA 0.584 4.904 4.320 0.000 0.000 0.259 1542 A C -0.006 177.544 177.584 -0.056 0.000 1.103 1542 A CA -0.417 51.602 52.037 -0.029 0.000 0.789 1542 A CB 0.020 18.991 19.000 -0.048 0.000 1.035 1542 A HN 0.858 nan 8.150 nan 0.000 0.491 1543 I N 3.176 123.696 120.570 -0.083 0.000 2.287 1543 I HA 0.110 4.280 4.170 0.000 0.000 0.290 1543 I C 0.890 176.955 176.117 -0.086 0.000 1.069 1543 I CA -0.183 61.039 61.300 -0.130 0.000 1.237 1543 I CB 0.824 38.662 38.000 -0.270 0.000 1.418 1543 I HN 0.805 nan 8.210 nan 0.000 0.481 1544 E N 5.255 125.419 120.200 -0.060 0.000 2.047 1544 E HA -0.141 4.209 4.350 0.000 0.000 0.191 1544 E C 0.299 176.878 176.600 -0.034 0.000 0.987 1544 E CA 1.096 57.465 56.400 -0.052 0.000 0.799 1544 E CB 0.131 29.792 29.700 -0.065 0.000 0.752 1544 E HN 0.736 nan 8.360 nan 0.000 0.449 1545 Q N -0.424 119.375 119.800 -0.001 0.000 2.320 1545 Q HA 0.318 4.658 4.340 0.000 0.000 0.272 1545 Q C -1.017 175.057 176.000 0.123 0.000 1.023 1545 Q CA -0.588 55.239 55.803 0.040 0.000 0.855 1545 Q CB 1.141 29.904 28.738 0.042 0.000 1.367 1545 Q HN -0.125 nan 8.270 nan 0.000 0.406 1546 T N 0.741 115.366 114.554 0.119 0.000 3.176 1546 T HA 0.332 4.682 4.350 0.000 0.000 0.301 1546 T C 0.920 175.762 174.700 0.236 0.000 1.115 1546 T CA -0.425 61.818 62.100 0.239 0.000 1.027 1546 T CB -0.447 68.519 68.868 0.163 0.000 1.063 1546 T HN 0.644 nan 8.240 nan 0.000 0.669 1547 I N 0.531 121.269 120.570 0.279 0.000 2.163 1547 I HA 0.007 4.177 4.170 0.000 0.000 0.240 1547 I C 1.319 177.495 176.117 0.097 0.000 1.081 1547 I CA 1.064 62.460 61.300 0.161 0.000 1.353 1547 I CB 0.070 38.179 38.000 0.181 0.000 1.054 1547 I HN 0.391 nan 8.210 nan 0.000 0.407 1548 K N 0.535 121.007 120.400 0.121 0.000 2.463 1548 K HA 0.344 4.664 4.320 0.000 0.000 0.255 1548 K C -1.008 175.699 176.600 0.177 0.000 0.942 1548 K CA -0.258 56.074 56.287 0.075 0.000 0.814 1548 K CB 1.578 34.057 32.500 -0.034 0.000 1.122 1548 K HN -0.115 nan 8.250 nan 0.000 0.425 1549 S N 1.511 117.321 115.700 0.182 0.000 2.585 1549 S HA 0.758 5.228 4.470 0.000 0.000 0.277 1549 S C -0.013 174.713 174.600 0.209 0.000 1.241 1549 S CA -0.441 57.905 58.200 0.243 0.000 1.041 1549 S CB 1.646 64.955 63.200 0.183 0.000 0.987 1549 S HN 0.801 nan 8.310 nan 0.000 0.512 1550 G N 0.320 109.281 108.800 0.268 0.000 3.247 1550 G HA2 0.417 4.377 3.960 0.000 0.000 0.226 1550 G HA3 0.417 4.377 3.960 0.000 0.000 0.226 1550 G C 0.814 175.830 174.900 0.192 0.000 1.220 1550 G CA -0.017 45.230 45.100 0.245 0.000 0.875 1550 G HN 0.561 nan 8.290 nan 0.000 0.606 1551 S N -0.774 115.035 115.700 0.182 0.000 2.383 1551 S HA -0.118 4.352 4.470 0.000 0.000 0.229 1551 S C 0.831 175.394 174.600 -0.062 0.000 1.030 1551 S CA 1.708 59.931 58.200 0.037 0.000 1.002 1551 S CB -0.385 62.809 63.200 -0.009 0.000 0.829 1551 S HN 0.481 nan 8.310 nan 0.000 0.467 1552 D N 1.828 122.192 120.400 -0.059 0.000 2.338 1552 D HA 0.108 4.748 4.640 0.000 0.000 0.255 1552 D C -0.411 175.956 176.300 0.112 0.000 1.237 1552 D CA 0.077 54.039 54.000 -0.064 0.000 0.883 1552 D CB 0.626 41.407 40.800 -0.032 0.000 1.087 1552 D HN 0.375 nan 8.370 nan 0.000 0.485 1553 E N 2.978 123.207 120.200 0.048 0.000 2.341 1553 E HA 0.120 4.470 4.350 0.000 0.000 0.279 1553 E C 0.045 176.680 176.600 0.059 0.000 1.395 1553 E CA -0.439 56.002 56.400 0.067 0.000 1.648 1553 E CB 0.985 30.703 29.700 0.031 0.000 1.524 1553 E HN 0.236 nan 8.360 nan 0.000 0.462 1554 V N 1.606 121.573 119.914 0.088 0.000 3.051 1554 V HA 0.011 4.131 4.120 0.000 0.000 0.306 1554 V C -0.101 175.995 176.094 0.004 0.000 1.083 1554 V CA 0.129 62.449 62.300 0.033 0.000 1.104 1554 V CB 1.605 33.430 31.823 0.003 0.000 1.027 1554 V HN 0.391 nan 8.190 nan 0.000 0.483 1555 Q N 3.290 123.076 119.800 -0.022 0.000 2.365 1555 Q HA 0.466 4.806 4.340 0.000 0.000 0.269 1555 Q C -1.002 174.971 176.000 -0.046 0.000 1.061 1555 Q CA -0.477 55.314 55.803 -0.021 0.000 0.816 1555 Q CB 2.007 30.739 28.738 -0.009 0.000 1.325 1555 Q HN 0.630 nan 8.270 nan 0.000 0.446 1556 V N 3.989 123.880 119.914 -0.037 0.000 2.625 1556 V HA 0.247 4.368 4.120 0.000 0.000 0.305 1556 V C 1.484 177.555 176.094 -0.039 0.000 1.055 1556 V CA 2.094 64.368 62.300 -0.044 0.000 1.209 1556 V CB -0.045 31.764 31.823 -0.023 0.000 0.877 1556 V HN 1.062 nan 8.190 nan 0.000 0.489 1557 G N 3.131 111.903 108.800 -0.046 0.000 2.279 1557 G HA2 -0.194 3.766 3.960 0.000 0.000 0.223 1557 G HA3 -0.194 3.766 3.960 0.000 0.000 0.223 1557 G C 0.233 175.114 174.900 -0.031 0.000 1.015 1557 G CA 0.147 45.227 45.100 -0.035 0.000 0.621 1557 G HN 0.639 nan 8.290 nan 0.000 0.506 1558 Q N 0.477 120.256 119.800 -0.035 0.000 2.471 1558 Q HA 0.533 4.873 4.340 0.000 0.000 0.223 1558 Q C 0.165 176.152 176.000 -0.022 0.000 1.045 1558 Q CA 0.263 56.051 55.803 -0.023 0.000 0.956 1558 Q CB 0.426 29.152 28.738 -0.021 0.000 1.249 1558 Q HN 0.570 nan 8.270 nan 0.000 0.549 1559 Q N 0.541 120.343 119.800 0.004 0.000 2.348 1559 Q HA 0.551 4.891 4.340 0.000 0.000 0.271 1559 Q C -0.768 175.269 176.000 0.060 0.000 1.067 1559 Q CA -0.864 54.957 55.803 0.030 0.000 0.839 1559 Q CB 1.842 30.603 28.738 0.039 0.000 1.354 1559 Q HN 0.258 nan 8.270 nan 0.000 0.447 1560 R N 0.470 121.035 120.500 0.109 0.000 2.740 1560 R HA 0.512 4.852 4.340 0.000 0.000 0.273 1560 R C -1.179 175.255 176.300 0.224 0.000 0.998 1560 R CA -0.651 55.538 56.100 0.148 0.000 0.900 1560 R CB 2.177 32.551 30.300 0.123 0.000 1.223 1560 R HN 0.571 nan 8.270 nan 0.000 0.466 1561 T N 2.412 117.077 114.554 0.185 0.000 2.771 1561 T HA 0.539 4.889 4.350 0.000 0.000 0.281 1561 T C -0.542 174.281 174.700 0.206 0.000 0.982 1561 T CA -0.219 62.026 62.100 0.241 0.000 0.978 1561 T CB 0.296 69.280 68.868 0.193 0.000 0.930 1561 T HN 0.154 nan 8.240 nan 0.000 0.447 1562 F N 2.827 122.927 119.950 0.251 0.000 2.436 1562 F HA 0.555 5.082 4.527 0.000 0.000 0.340 1562 F C 0.424 176.413 175.800 0.314 0.000 1.113 1562 F CA -1.213 56.954 58.000 0.279 0.000 1.022 1562 F CB 0.870 39.992 39.000 0.202 0.000 1.128 1562 F HN 0.342 nan 8.300 nan 0.000 0.466 1563 I N 2.075 122.870 120.570 0.375 0.000 2.437 1563 I HA 0.519 4.689 4.170 0.000 0.000 0.298 1563 I C -0.124 176.163 176.117 0.283 0.000 0.984 1563 I CA -0.509 60.976 61.300 0.309 0.000 1.214 1563 I CB 1.945 40.041 38.000 0.160 0.000 1.365 1563 I HN 0.501 nan 8.210 nan 0.000 0.469 1564 S N 5.955 121.831 115.700 0.294 0.000 2.533 1564 S HA 0.554 5.025 4.470 0.000 0.000 0.271 1564 S C -2.811 171.906 174.600 0.194 0.000 1.143 1564 S CA -1.222 57.125 58.200 0.245 0.000 0.891 1564 S CB 2.071 65.471 63.200 0.332 0.000 1.105 1564 S HN 0.190 nan 8.310 nan 0.000 0.468 1565 P HA 0.147 nan 4.420 nan 0.000 0.269 1565 P C 1.119 178.480 177.300 0.102 0.000 1.215 1565 P CA -0.444 62.715 63.100 0.098 0.000 0.780 1565 P CB 0.337 32.070 31.700 0.054 0.000 0.898 1566 I N 2.843 123.458 120.570 0.074 0.000 2.264 1566 I HA -0.265 3.906 4.170 0.000 0.000 0.248 1566 I C 1.546 177.699 176.117 0.059 0.000 1.111 1566 I CA 2.066 63.400 61.300 0.056 0.000 1.382 1566 I CB -0.442 37.576 38.000 0.030 0.000 1.060 1566 I HN 0.383 nan 8.210 nan 0.000 0.418 1567 K N 0.013 120.442 120.400 0.049 0.000 2.442 1567 K HA -0.080 4.240 4.320 0.000 0.000 0.198 1567 K C 1.656 178.294 176.600 0.063 0.000 1.042 1567 K CA 1.318 57.631 56.287 0.044 0.000 0.958 1567 K CB -0.958 31.555 32.500 0.022 0.000 0.766 1567 K HN 0.286 nan 8.250 nan 0.000 0.474 1568 c N 0.868 119.523 118.600 0.092 0.000 2.697 1568 c HA 0.296 4.866 4.570 0.000 0.000 0.267 1568 c C 2.328 176.504 174.090 0.143 0.000 1.278 1568 c CA -0.618 55.790 56.329 0.131 0.000 1.708 1568 c CB -1.280 41.329 42.510 0.165 0.000 1.860 1568 c HN 0.594 nan 8.230 nan 0.000 0.589 1569 R N 2.028 122.602 120.500 0.122 0.000 2.070 1569 R HA -0.139 4.201 4.340 0.000 0.000 0.232 1569 R C 2.143 178.504 176.300 0.101 0.000 1.138 1569 R CA 1.697 57.876 56.100 0.132 0.000 0.936 1569 R CB -0.278 30.082 30.300 0.100 0.000 0.839 1569 R HN 0.532 nan 8.270 nan 0.000 0.429 1570 E N -0.708 119.541 120.200 0.082 0.000 2.285 1570 E HA -0.069 4.281 4.350 0.000 0.000 0.194 1570 E C 1.605 178.252 176.600 0.078 0.000 0.997 1570 E CA 0.693 57.133 56.400 0.067 0.000 0.845 1570 E CB 0.132 29.864 29.700 0.053 0.000 0.782 1570 E HN 0.508 nan 8.360 nan 0.000 0.491 1571 A N 0.776 123.663 122.820 0.112 0.000 1.929 1571 A HA -0.084 4.236 4.320 0.000 0.000 0.216 1571 A C 2.091 179.823 177.584 0.246 0.000 1.176 1571 A CA 0.670 52.810 52.037 0.173 0.000 0.628 1571 A CB -0.361 18.745 19.000 0.176 0.000 0.816 1571 A HN 0.224 nan 8.150 nan 0.000 0.444 1572 L N -1.484 119.831 121.223 0.152 0.000 2.109 1572 L HA -0.065 4.275 4.340 0.000 0.000 0.207 1572 L C 0.589 177.366 176.870 -0.155 0.000 1.086 1572 L CA 1.177 55.941 54.840 -0.128 0.000 0.760 1572 L CB -0.239 41.653 42.059 -0.277 0.000 0.910 1572 L HN 0.399 nan 8.230 nan 0.000 0.437 1573 K N 0.259 120.625 120.400 -0.056 0.000 3.071 1573 K HA -0.183 4.137 4.320 0.000 0.000 0.265 1573 K C -0.491 176.081 176.600 -0.046 0.000 1.060 1573 K CA 0.209 56.482 56.287 -0.025 0.000 0.767 1573 K CB -2.279 30.219 32.500 -0.004 0.000 1.241 1573 K HN 0.246 nan 8.250 nan 0.000 0.486 1574 L N 1.711 122.852 121.223 -0.137 0.000 2.369 1574 L HA 0.144 4.484 4.340 0.000 0.000 0.279 1574 L C 0.681 177.580 176.870 0.049 0.000 1.108 1574 L CA 0.330 55.059 54.840 -0.185 0.000 0.852 1574 L CB 0.432 42.160 42.059 -0.551 0.000 1.169 1574 L HN 0.182 nan 8.230 nan 0.000 0.452 1575 E N 2.835 123.132 120.200 0.162 0.000 2.191 1575 E HA 0.278 4.628 4.350 0.000 0.000 0.274 1575 E C -0.718 175.978 176.600 0.161 0.000 0.948 1575 E CA -0.772 55.713 56.400 0.141 0.000 0.802 1575 E CB 1.849 31.614 29.700 0.109 0.000 1.137 1575 E HN 0.477 nan 8.360 nan 0.000 0.397 1576 E N 2.008 122.273 120.200 0.107 0.000 2.415 1576 E HA -0.037 4.313 4.350 0.000 0.000 0.262 1576 E C -0.115 176.521 176.600 0.061 0.000 1.038 1576 E CA 0.376 56.825 56.400 0.083 0.000 0.921 1576 E CB 0.489 30.222 29.700 0.054 0.000 0.950 1576 E HN 0.474 nan 8.360 nan 0.000 0.438 1577 K N 0.238 120.653 120.400 0.025 0.000 3.547 1577 K HA -0.212 4.108 4.320 0.000 0.000 0.309 1577 K C -0.261 176.322 176.600 -0.029 0.000 1.324 1577 K CA 1.095 57.370 56.287 -0.020 0.000 0.988 1577 K CB -0.893 31.611 32.500 0.007 0.000 1.261 1577 K HN 0.439 nan 8.250 nan 0.000 0.444 1578 K N 0.802 121.211 120.400 0.015 0.000 2.090 1578 K HA 0.314 4.634 4.320 0.000 0.000 0.249 1578 K C 0.121 176.569 176.600 -0.255 0.000 0.995 1578 K CA -0.492 55.779 56.287 -0.025 0.000 0.914 1578 K CB 0.752 33.252 32.500 0.000 0.000 1.057 1578 K HN 0.129 nan 8.250 nan 0.000 0.462 1579 H N 0.601 119.375 119.070 -0.494 0.000 2.533 1579 H HA 0.338 4.895 4.556 0.000 0.000 0.343 1579 H C -0.909 173.954 175.328 -0.775 0.000 1.160 1579 H CA -0.540 55.233 56.048 -0.458 0.000 1.218 1579 H CB 1.218 30.729 29.762 -0.418 0.000 1.566 1579 H HN 0.449 nan 8.280 nan 0.000 0.522 1580 Y N 0.151 120.494 120.300 0.072 0.000 2.615 1580 Y HA 0.262 4.812 4.550 0.000 0.000 0.341 1580 Y C -0.858 175.145 175.900 0.171 0.000 1.089 1580 Y CA -1.052 57.071 58.100 0.039 0.000 1.049 1580 Y CB 1.693 40.072 38.460 -0.135 0.000 1.296 1580 Y HN 0.335 nan 8.280 nan 0.000 0.470 1581 L N 2.915 124.270 121.223 0.221 0.000 2.333 1581 L HA 0.712 5.052 4.340 0.000 0.000 0.280 1581 L C -1.427 175.459 176.870 0.026 0.000 1.004 1581 L CA -0.933 54.022 54.840 0.193 0.000 0.820 1581 L CB 1.069 43.109 42.059 -0.031 0.000 1.247 1581 L HN 0.616 nan 8.230 nan 0.000 0.416 1582 M N 5.055 124.782 119.600 0.213 0.000 2.204 1582 M HA 0.225 4.705 4.480 0.000 0.000 0.293 1582 M C -0.247 176.224 176.300 0.286 0.000 0.994 1582 M CA -0.428 54.986 55.300 0.190 0.000 0.925 1582 M CB 2.054 34.726 32.600 0.120 0.000 1.577 1582 M HN 0.709 nan 8.290 nan 0.000 0.439 1583 W N 1.900 123.113 121.300 -0.144 0.000 2.514 1583 W HA 0.356 5.016 4.660 0.000 0.000 0.307 1583 W C 1.020 176.972 176.519 -0.946 0.000 1.051 1583 W CA 0.960 58.120 57.345 -0.309 0.000 1.356 1583 W CB -0.087 29.350 29.460 -0.039 0.000 1.249 1583 W HN 0.822 nan 8.180 nan 0.000 0.466 1584 G N 0.753 109.421 108.800 -0.220 0.000 2.819 1584 G HA2 -0.232 3.728 3.960 0.000 0.000 0.682 1584 G HA3 -0.232 3.728 3.960 0.000 0.000 0.682 1584 G C -1.250 173.518 174.900 -0.219 0.000 1.481 1584 G CA -0.576 44.352 45.100 -0.288 0.000 0.904 1584 G HN 0.293 nan 8.290 nan 0.000 0.563 1585 L N -0.317 120.939 121.223 0.056 0.000 2.257 1585 L HA 0.624 4.964 4.340 0.000 0.000 0.257 1585 L C 1.615 178.486 176.870 0.001 0.000 1.033 1585 L CA -0.599 54.271 54.840 0.050 0.000 0.835 1585 L CB 1.706 43.799 42.059 0.056 0.000 1.398 1585 L HN 0.605 nan 8.230 nan 0.000 0.429 1586 S N -0.363 115.380 115.700 0.072 0.000 2.406 1586 S HA -0.127 4.343 4.470 0.000 0.000 0.228 1586 S C 1.809 176.499 174.600 0.151 0.000 1.020 1586 S CA 1.411 59.715 58.200 0.172 0.000 0.965 1586 S CB -0.120 63.242 63.200 0.269 0.000 0.798 1586 S HN 0.812 nan 8.310 nan 0.000 0.488 1587 S N 1.636 117.393 115.700 0.095 0.000 2.469 1587 S HA -0.095 4.375 4.470 0.000 0.000 0.238 1587 S C 0.895 175.543 174.600 0.080 0.000 0.998 1587 S CA 0.965 59.225 58.200 0.100 0.000 0.957 1587 S CB -0.360 62.889 63.200 0.081 0.000 0.764 1587 S HN 0.329 nan 8.310 nan 0.000 0.514 1588 D N 0.652 121.043 120.400 -0.014 0.000 2.363 1588 D HA 0.210 4.850 4.640 0.000 0.000 0.220 1588 D C -0.186 176.067 176.300 -0.078 0.000 0.994 1588 D CA 0.052 54.035 54.000 -0.029 0.000 0.890 1588 D CB -0.337 40.471 40.800 0.013 0.000 0.906 1588 D HN 0.363 nan 8.370 nan 0.000 0.530 1589 F N 0.108 120.069 119.950 0.017 0.000 2.506 1589 F HA 0.117 4.644 4.527 0.000 0.000 0.351 1589 F C 0.752 176.622 175.800 0.117 0.000 1.136 1589 F CA -0.270 57.672 58.000 -0.097 0.000 1.298 1589 F CB 0.465 39.362 39.000 -0.171 0.000 1.145 1589 F HN -0.032 nan 8.300 nan 0.000 0.593 1590 W N 4.531 125.850 121.300 0.031 0.000 2.451 1590 W HA 0.488 5.148 4.660 0.000 0.000 0.285 1590 W C -0.374 176.123 176.519 -0.036 0.000 1.024 1590 W CA -0.336 56.999 57.345 -0.016 0.000 1.421 1590 W CB 1.139 30.578 29.460 -0.035 0.000 1.319 1590 W HN 0.731 nan 8.180 nan 0.000 0.366 1591 G N 2.762 111.382 108.800 -0.300 0.000 2.352 1591 G HA2 0.030 3.990 3.960 0.000 0.000 0.283 1591 G HA3 0.030 3.990 3.960 0.000 0.000 0.283 1591 G C -1.651 173.109 174.900 -0.233 0.000 1.308 1591 G CA -0.837 44.080 45.100 -0.304 0.000 0.892 1591 G HN 0.068 nan 8.290 nan 0.000 0.504 1592 E N 0.395 120.483 120.200 -0.187 0.000 2.195 1592 E HA 0.377 4.727 4.350 0.000 0.000 0.271 1592 E C -0.332 176.185 176.600 -0.138 0.000 0.923 1592 E CA -0.906 55.400 56.400 -0.156 0.000 0.790 1592 E CB 2.557 32.177 29.700 -0.134 0.000 1.155 1592 E HN 0.587 nan 8.360 nan 0.000 0.402 1593 K N 3.276 123.591 120.400 -0.142 0.000 2.484 1593 K HA 0.027 4.347 4.320 0.000 0.000 0.280 1593 K C -1.358 175.188 176.600 -0.090 0.000 1.013 1593 K CA -0.716 55.495 56.287 -0.127 0.000 1.029 1593 K CB 0.491 32.914 32.500 -0.129 0.000 0.902 1593 K HN 0.231 nan 8.250 nan 0.000 0.481 1594 P HA 0.054 nan 4.420 nan 0.000 0.245 1594 P C -0.638 176.624 177.300 -0.064 0.000 1.199 1594 P CA 0.339 63.398 63.100 -0.069 0.000 0.807 1594 P CB 0.349 32.022 31.700 -0.045 0.000 1.002 1595 N N 0.928 119.593 118.700 -0.058 0.000 3.091 1595 N HA 0.136 4.876 4.740 0.000 0.000 0.301 1595 N C 0.014 175.496 175.510 -0.046 0.000 1.325 1595 N CA 0.045 53.074 53.050 -0.036 0.000 1.143 1595 N CB -0.676 37.797 38.487 -0.024 0.000 1.450 1595 N HN 0.253 nan 8.380 nan 0.000 0.542 1596 L N 0.526 121.705 121.223 -0.074 0.000 2.455 1596 L HA 0.094 4.434 4.340 0.000 0.000 0.272 1596 L C 0.597 177.464 176.870 -0.005 0.000 1.174 1596 L CA 0.287 55.070 54.840 -0.095 0.000 0.869 1596 L CB 0.423 42.337 42.059 -0.242 0.000 1.130 1596 L HN 0.174 nan 8.230 nan 0.000 0.474 1597 S N 1.824 117.552 115.700 0.046 0.000 2.690 1597 S HA 0.586 5.056 4.470 0.000 0.000 0.291 1597 S C -0.883 173.719 174.600 0.003 0.000 1.138 1597 S CA -0.534 57.732 58.200 0.110 0.000 1.013 1597 S CB 1.288 64.619 63.200 0.219 0.000 1.053 1597 S HN 0.227 nan 8.310 nan 0.000 0.539 1598 Y N 0.353 120.522 120.300 -0.218 0.000 2.457 1598 Y HA 0.589 5.139 4.550 0.000 0.000 0.333 1598 Y C 0.161 175.990 175.900 -0.118 0.000 1.119 1598 Y CA -0.840 57.051 58.100 -0.348 0.000 1.143 1598 Y CB 0.830 38.625 38.460 -1.107 0.000 1.230 1598 Y HN 0.400 nan 8.280 nan 0.000 0.469 1599 I N 3.716 124.359 120.570 0.122 0.000 2.441 1599 I HA 0.363 4.533 4.170 0.000 0.000 0.295 1599 I C -0.670 175.586 176.117 0.233 0.000 0.994 1599 I CA -0.762 60.610 61.300 0.120 0.000 1.144 1599 I CB 1.747 39.733 38.000 -0.025 0.000 1.314 1599 I HN 0.400 nan 8.210 nan 0.000 0.445 1600 I N 5.153 125.870 120.570 0.245 0.000 2.287 1600 I HA 0.348 4.518 4.170 0.000 0.000 0.290 1600 I C 0.665 176.888 176.117 0.177 0.000 1.069 1600 I CA 0.045 61.495 61.300 0.250 0.000 1.237 1600 I CB 0.658 38.788 38.000 0.218 0.000 1.418 1600 I HN 0.672 nan 8.210 nan 0.000 0.481 1601 G N 4.423 113.321 108.800 0.163 0.000 3.013 1601 G HA2 0.335 4.295 3.960 0.000 0.000 0.278 1601 G HA3 0.335 4.295 3.960 0.000 0.000 0.278 1601 G C 0.697 175.664 174.900 0.112 0.000 1.353 1601 G CA -0.621 44.544 45.100 0.108 0.000 1.043 1601 G HN 0.676 nan 8.290 nan 0.000 0.523 1602 K N -0.740 119.691 120.400 0.052 0.000 2.144 1602 K HA -0.156 4.164 4.320 0.000 0.000 0.209 1602 K C 0.709 177.327 176.600 0.030 0.000 1.047 1602 K CA 2.141 58.435 56.287 0.013 0.000 0.927 1602 K CB 0.017 32.503 32.500 -0.024 0.000 0.716 1602 K HN 0.241 nan 8.250 nan 0.000 0.454 1603 D N 0.763 121.199 120.400 0.060 0.000 2.328 1603 D HA 0.023 4.663 4.640 0.000 0.000 0.221 1603 D C -0.332 176.044 176.300 0.127 0.000 1.072 1603 D CA 0.442 54.484 54.000 0.069 0.000 0.850 1603 D CB 0.455 41.295 40.800 0.067 0.000 0.922 1603 D HN 0.223 nan 8.370 nan 0.000 0.516 1604 T N 0.673 115.331 114.554 0.174 0.000 2.743 1604 T HA 0.111 4.461 4.350 0.000 0.000 0.292 1604 T C -0.230 174.637 174.700 0.278 0.000 0.972 1604 T CA -0.633 61.608 62.100 0.234 0.000 0.967 1604 T CB 1.143 70.173 68.868 0.269 0.000 0.926 1604 T HN 0.120 nan 8.240 nan 0.000 0.459 1605 W N 4.872 126.117 121.300 -0.092 0.000 2.388 1605 W HA 0.501 5.161 4.660 0.000 0.000 0.308 1605 W C -0.704 175.694 176.519 -0.201 0.000 1.263 1605 W CA -0.790 56.354 57.345 -0.334 0.000 1.286 1605 W CB 0.565 29.343 29.460 -1.135 0.000 1.294 1605 W HN 0.400 nan 8.180 nan 0.000 0.493 1606 V N 7.340 127.142 119.914 -0.187 0.000 2.444 1606 V HA 0.416 4.536 4.120 0.000 0.000 0.294 1606 V C -1.116 174.381 176.094 -0.995 0.000 1.022 1606 V CA -0.496 61.459 62.300 -0.575 0.000 0.850 1606 V CB 1.641 33.113 31.823 -0.586 0.000 0.992 1606 V HN 0.655 nan 8.190 nan 0.000 0.426 1607 E N 5.617 125.280 120.200 -0.896 0.000 2.263 1607 E HA 0.317 4.667 4.350 0.000 0.000 0.268 1607 E C -1.096 175.363 176.600 -0.236 0.000 0.884 1607 E CA -0.743 55.158 56.400 -0.831 0.000 0.766 1607 E CB 1.177 30.109 29.700 -1.281 0.000 1.196 1607 E HN 0.983 nan 8.360 nan 0.000 0.416 1608 H N 5.182 124.170 119.070 -0.136 0.000 2.964 1608 H HA -0.055 4.501 4.556 0.000 0.000 0.328 1608 H C -1.319 173.929 175.328 -0.134 0.000 1.030 1608 H CA 0.376 56.356 56.048 -0.113 0.000 1.445 1608 H CB 0.565 30.282 29.762 -0.076 0.000 1.449 1608 H HN 0.503 nan 8.280 nan 0.000 0.581 1609 W N 8.831 129.494 121.300 -1.061 0.000 2.336 1609 W HA 0.294 4.954 4.660 0.000 0.000 0.315 1609 W C -2.656 173.320 176.519 -0.906 0.000 1.016 1609 W CA -2.948 53.954 57.345 -0.739 0.000 1.318 1609 W CB 0.893 30.106 29.460 -0.411 0.000 1.247 1609 W HN 0.579 nan 8.180 nan 0.000 0.414 1610 P HA -0.060 nan 4.420 nan 0.000 0.270 1610 P C -0.400 176.883 177.300 -0.028 0.000 1.221 1610 P CA 0.490 63.551 63.100 -0.065 0.000 0.788 1610 P CB 0.902 32.632 31.700 0.049 0.000 0.904 1611 E N -0.010 120.162 120.200 -0.046 0.000 2.250 1611 E HA 0.105 4.455 4.350 0.000 0.000 0.265 1611 E C 1.021 177.587 176.600 -0.057 0.000 1.033 1611 E CA -0.214 56.114 56.400 -0.119 0.000 0.888 1611 E CB 0.406 30.054 29.700 -0.087 0.000 1.151 1611 E HN 0.305 nan 8.360 nan 0.000 0.412 1612 E N 0.897 121.049 120.200 -0.081 0.000 2.065 1612 E HA -0.280 4.070 4.350 0.000 0.000 0.201 1612 E C 1.257 177.848 176.600 -0.015 0.000 1.016 1612 E CA 1.933 58.309 56.400 -0.039 0.000 0.818 1612 E CB -0.016 29.655 29.700 -0.049 0.000 0.749 1612 E HN 0.628 nan 8.360 nan 0.000 0.453 1613 D N 0.354 120.743 120.400 -0.018 0.000 2.183 1613 D HA -0.209 4.431 4.640 0.000 0.000 0.203 1613 D C 1.733 178.036 176.300 0.004 0.000 0.969 1613 D CA 0.912 54.909 54.000 -0.005 0.000 0.842 1613 D CB -0.314 40.483 40.800 -0.005 0.000 0.957 1613 D HN 0.229 nan 8.370 nan 0.000 0.484 1614 E N -0.046 120.160 120.200 0.008 0.000 2.347 1614 E HA -0.084 4.266 4.350 0.000 0.000 0.196 1614 E C 1.695 178.311 176.600 0.028 0.000 1.008 1614 E CA 0.274 56.688 56.400 0.024 0.000 0.852 1614 E CB 0.031 29.757 29.700 0.044 0.000 0.783 1614 E HN 0.247 nan 8.360 nan 0.000 0.505 1615 c N 1.039 119.653 118.600 0.023 0.000 2.440 1615 c HA -0.048 4.522 4.570 0.000 0.000 0.278 1615 c C 1.187 175.287 174.090 0.018 0.000 1.295 1615 c CA 0.231 56.574 56.329 0.024 0.000 1.738 1615 c CB -0.607 41.920 42.510 0.029 0.000 1.987 1615 c HN 0.397 nan 8.230 nan 0.000 0.492 1616 Q N 1.576 121.385 119.800 0.014 0.000 2.780 1616 Q HA 0.164 4.504 4.340 0.000 0.000 0.234 1616 Q C -0.821 175.185 176.000 0.011 0.000 1.355 1616 Q CA 0.774 56.584 55.803 0.011 0.000 0.919 1616 Q CB -0.232 28.511 28.738 0.009 0.000 1.645 1616 Q HN 0.535 nan 8.270 nan 0.000 0.568 1617 D N 0.363 120.769 120.400 0.011 0.000 2.812 1617 D HA 0.028 4.668 4.640 0.000 0.000 0.210 1617 D C 0.156 176.462 176.300 0.009 0.000 1.260 1617 D CA -0.313 53.693 54.000 0.011 0.000 0.817 1617 D CB 1.188 41.996 40.800 0.014 0.000 1.694 1617 D HN 0.213 nan 8.370 nan 0.000 0.530 1618 E N 1.179 121.384 120.200 0.007 0.000 2.130 1618 E HA -0.217 4.133 4.350 0.000 0.000 0.196 1618 E C 0.931 177.535 176.600 0.006 0.000 0.998 1618 E CA 1.478 57.881 56.400 0.006 0.000 0.806 1618 E CB 0.380 30.083 29.700 0.004 0.000 0.738 1618 E HN 0.502 nan 8.360 nan 0.000 0.459 1619 E N 0.442 120.647 120.200 0.007 0.000 2.072 1619 E HA -0.073 4.277 4.350 0.000 0.000 0.190 1619 E C 1.314 177.919 176.600 0.009 0.000 0.982 1619 E CA 0.650 57.054 56.400 0.007 0.000 0.803 1619 E CB 0.084 29.788 29.700 0.007 0.000 0.755 1619 E HN 0.132 nan 8.360 nan 0.000 0.453 1620 N N 0.939 119.646 118.700 0.013 0.000 2.370 1620 N HA -0.061 4.679 4.740 0.000 0.000 0.198 1620 N C 1.206 176.718 175.510 0.003 0.000 1.156 1620 N CA 0.228 53.286 53.050 0.014 0.000 0.839 1620 N CB 0.352 38.856 38.487 0.028 0.000 0.989 1620 N HN 0.267 nan 8.380 nan 0.000 0.468 1621 Q N 1.202 121.004 119.800 0.003 0.000 2.079 1621 Q HA -0.056 4.284 4.340 0.000 0.000 0.200 1621 Q C 1.346 177.342 176.000 -0.006 0.000 0.974 1621 Q CA 1.231 57.035 55.803 0.001 0.000 0.840 1621 Q CB 0.274 29.014 28.738 0.003 0.000 0.898 1621 Q HN 0.181 nan 8.270 nan 0.000 0.430 1622 K N -0.028 120.366 120.400 -0.010 0.000 2.116 1622 K HA -0.134 4.186 4.320 0.000 0.000 0.203 1622 K C 2.128 178.707 176.600 -0.035 0.000 1.052 1622 K CA 1.072 57.349 56.287 -0.016 0.000 0.952 1622 K CB -0.083 32.411 32.500 -0.011 0.000 0.729 1622 K HN 0.318 nan 8.250 nan 0.000 0.446 1623 Q N 0.686 120.456 119.800 -0.051 0.000 2.046 1623 Q HA -0.141 4.199 4.340 0.000 0.000 0.200 1623 Q C 2.250 178.162 176.000 -0.147 0.000 0.975 1623 Q CA 1.458 57.197 55.803 -0.108 0.000 0.836 1623 Q CB -0.023 28.650 28.738 -0.108 0.000 0.896 1623 Q HN 0.314 nan 8.270 nan 0.000 0.428 1624 c N 0.432 118.980 118.600 -0.086 0.000 2.425 1624 c HA -0.136 4.434 4.570 0.000 0.000 0.277 1624 c C 2.605 176.683 174.090 -0.021 0.000 1.280 1624 c CA 0.862 57.162 56.329 -0.048 0.000 1.744 1624 c CB -0.879 41.634 42.510 0.006 0.000 1.989 1624 c HN 0.603 nan 8.230 nan 0.000 0.491 1625 Q N 1.047 120.837 119.800 -0.016 0.000 2.014 1625 Q HA -0.191 4.149 4.340 0.000 0.000 0.207 1625 Q C 1.713 177.714 176.000 0.002 0.000 0.993 1625 Q CA 2.247 58.051 55.803 0.002 0.000 0.850 1625 Q CB -0.174 28.564 28.738 0.001 0.000 0.916 1625 Q HN 0.595 nan 8.270 nan 0.000 0.417 1626 D N -0.606 119.777 120.400 -0.028 0.000 2.103 1626 D HA -0.094 4.546 4.640 0.000 0.000 0.199 1626 D C 1.889 178.177 176.300 -0.020 0.000 0.978 1626 D CA 0.813 54.804 54.000 -0.015 0.000 0.829 1626 D CB -0.197 40.580 40.800 -0.038 0.000 0.981 1626 D HN 0.224 nan 8.370 nan 0.000 0.464 1627 L N 0.576 121.692 121.223 -0.178 0.000 2.012 1627 L HA -0.102 4.238 4.340 0.000 0.000 0.210 1627 L C 2.517 179.376 176.870 -0.019 0.000 1.073 1627 L CA 1.533 56.157 54.840 -0.360 0.000 0.748 1627 L CB -0.765 40.681 42.059 -1.022 0.000 0.891 1627 L HN 0.120 nan 8.230 nan 0.000 0.431 1628 G N -0.711 108.136 108.800 0.078 0.000 2.422 1628 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 1628 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 1628 G C 1.739 176.743 174.900 0.172 0.000 1.146 1628 G CA 0.798 46.018 45.100 0.200 0.000 0.769 1628 G HN 0.481 nan 8.290 nan 0.000 0.547 1629 A N 0.434 123.334 122.820 0.133 0.000 1.897 1629 A HA 0.138 4.458 4.320 0.000 0.000 0.215 1629 A C 2.115 179.794 177.584 0.159 0.000 1.181 1629 A CA 1.418 53.529 52.037 0.124 0.000 0.620 1629 A CB -0.549 18.506 19.000 0.092 0.000 0.821 1629 A HN 0.385 nan 8.150 nan 0.000 0.443 1630 F N 1.807 121.780 119.950 0.038 0.000 2.043 1630 F HA -0.248 4.279 4.527 0.000 0.000 0.297 1630 F C 2.487 178.344 175.800 0.094 0.000 1.121 1630 F CA 2.653 60.685 58.000 0.054 0.000 1.199 1630 F CB -0.853 38.161 39.000 0.022 0.000 0.968 1630 F HN 0.238 nan 8.300 nan 0.000 0.478 1631 T N 0.485 115.152 114.554 0.188 0.000 2.684 1631 T HA -0.214 4.136 4.350 0.000 0.000 0.267 1631 T C 1.774 176.495 174.700 0.034 0.000 1.036 1631 T CA 1.640 63.813 62.100 0.122 0.000 1.148 1631 T CB -0.440 68.636 68.868 0.347 0.000 0.863 1631 T HN 0.312 nan 8.240 nan 0.000 0.436 1632 E N 0.971 121.226 120.200 0.093 0.000 2.058 1632 E HA -0.140 4.210 4.350 0.000 0.000 0.194 1632 E C 2.565 179.235 176.600 0.117 0.000 0.997 1632 E CA 1.267 57.727 56.400 0.101 0.000 0.801 1632 E CB -0.581 29.199 29.700 0.132 0.000 0.746 1632 E HN 0.459 nan 8.360 nan 0.000 0.450 1633 S N 0.107 115.857 115.700 0.084 0.000 2.348 1633 S HA -0.146 4.324 4.470 0.000 0.000 0.221 1633 S C 1.998 176.616 174.600 0.030 0.000 1.033 1633 S CA 1.234 59.497 58.200 0.104 0.000 1.010 1633 S CB -0.030 63.168 63.200 -0.004 0.000 0.891 1633 S HN 0.080 nan 8.310 nan 0.000 0.442 1634 M N 1.022 120.523 119.600 -0.165 0.000 2.065 1634 M HA -0.071 4.409 4.480 0.000 0.000 0.259 1634 M C 2.276 178.522 176.300 -0.090 0.000 1.069 1634 M CA 1.355 56.527 55.300 -0.213 0.000 1.110 1634 M CB -1.676 30.650 32.600 -0.456 0.000 1.328 1634 M HN 0.270 nan 8.290 nan 0.000 0.405 1635 V N -0.389 119.489 119.914 -0.061 0.000 2.239 1635 V HA -0.183 3.937 4.120 0.000 0.000 0.242 1635 V C 2.562 178.628 176.094 -0.047 0.000 1.038 1635 V CA 1.521 63.802 62.300 -0.031 0.000 1.002 1635 V CB -0.809 31.009 31.823 -0.007 0.000 0.641 1635 V HN 0.222 nan 8.190 nan 0.000 0.449 1636 V N -1.229 118.649 119.914 -0.059 0.000 2.515 1636 V HA -0.165 3.955 4.120 0.000 0.000 0.250 1636 V C 1.977 177.848 176.094 -0.371 0.000 1.058 1636 V CA 2.076 64.238 62.300 -0.231 0.000 1.064 1636 V CB -0.642 30.988 31.823 -0.321 0.000 0.675 1636 V HN 0.480 nan 8.190 nan 0.000 0.461 1637 F N -0.841 119.089 119.950 -0.033 0.000 2.712 1637 F HA 0.561 5.088 4.527 0.000 0.000 0.297 1637 F C 1.456 177.236 175.800 -0.033 0.000 1.114 1637 F CA 0.837 58.819 58.000 -0.029 0.000 1.305 1637 F CB 0.861 39.845 39.000 -0.027 0.000 1.086 1637 F HN 0.300 nan 8.300 nan 0.000 0.599 1638 G N -0.269 108.593 108.800 0.104 0.000 2.416 1638 G HA2 -0.175 3.785 3.960 0.000 0.000 0.203 1638 G HA3 -0.175 3.785 3.960 0.000 0.000 0.203 1638 G C -0.923 173.989 174.900 0.020 0.000 1.227 1638 G CA -0.483 44.644 45.100 0.044 0.000 1.041 1638 G HN 0.238 nan 8.290 nan 0.000 0.546 1639 c N 2.086 120.691 118.600 0.009 0.000 3.104 1639 c HA 0.638 5.208 4.570 0.000 0.000 0.206 1639 c C -1.075 173.011 174.090 -0.007 0.000 1.429 1639 c CA 0.401 56.720 56.329 -0.016 0.000 1.105 1639 c CB -0.330 42.158 42.510 -0.038 0.000 1.904 1639 c HN 0.703 nan 8.230 nan 0.000 0.626 1640 P HA 0.163 nan 4.420 nan 0.000 0.208 1640 P C 0.335 177.646 177.300 0.018 0.000 1.131 1640 P CA 0.874 63.982 63.100 0.014 0.000 0.906 1640 P CB 0.289 31.992 31.700 0.005 0.000 0.764 1641 N N 0.000 118.707 118.700 0.012 0.000 1.763 1641 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1641 N CA 0.000 53.057 53.050 0.012 0.000 0.885 1641 N CB 0.000 38.493 38.487 0.010 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667