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 2icf_1_B DATA FIRST_RESID 730 DATA SEQUENCE DEDIIAEENI VSRSEFPESW LWNVEDLKEP PKNGISTKLM NIFLKDSITT DATA SEQUENCE WEILAVSMSD KKGICVADPF EVTVMQDFFI DLRLPYSVVR NEQVEIRAVL DATA SEQUENCE YNYRQNQELK VRVELLHNPA FCSLATTKRR HQQTVTIPPK SSLSVPYVIV DATA SEQUENCE PLKTGLQEVE VKAAVYHHFI SDGVRKSLKV VPEGIRMNKT VAVRTLDPER DATA SEQUENCE LGREGVQKED IPPADLSDQV PDTESETRIL LQGTPVAQMT EDAVDAERLK DATA SEQUENCE HLIVTPSGCG 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 0.000 176.216 176.300 -0.139 0.000 2.045 730 D CA 0.000 53.945 54.000 -0.092 0.000 0.868 730 D CB 0.000 40.752 40.800 -0.080 0.000 0.688 731 E N 0.658 120.787 120.200 -0.119 0.000 2.313 731 E HA 0.435 4.815 4.350 0.051 0.000 0.276 731 E C -1.036 175.428 176.600 -0.227 0.000 1.031 731 E CA -0.106 56.222 56.400 -0.121 0.000 0.857 731 E CB 0.520 30.189 29.700 -0.051 0.000 1.040 731 E HN 0.301 nan 8.360 nan 0.000 0.408 732 D N 1.495 121.779 120.400 -0.193 0.000 3.437 732 D HA -0.175 4.496 4.640 0.051 0.000 0.243 732 D C -0.854 175.268 176.300 -0.297 0.000 1.104 732 D CA 0.905 54.771 54.000 -0.224 0.000 1.009 732 D CB -0.688 39.926 40.800 -0.310 0.000 0.937 732 D HN 0.450 nan 8.370 nan 0.000 0.417 733 I N -0.540 119.898 120.570 -0.221 0.000 3.203 733 I HA 0.406 4.607 4.170 0.051 0.000 0.321 733 I C -0.987 175.023 176.117 -0.178 0.000 1.415 733 I CA -0.918 60.221 61.300 -0.267 0.000 0.909 733 I CB 1.216 38.956 38.000 -0.433 0.000 1.260 733 I HN 0.016 nan 8.210 nan 0.000 0.499 734 I N 2.036 122.474 120.570 -0.220 0.000 2.447 734 I HA 0.570 4.771 4.170 0.051 0.000 0.287 734 I C 0.015 176.056 176.117 -0.127 0.000 1.023 734 I CA -0.555 60.645 61.300 -0.166 0.000 1.083 734 I CB 1.763 39.587 38.000 -0.294 0.000 1.245 734 I HN 0.472 nan 8.210 nan 0.000 0.434 735 A N 4.464 127.240 122.820 -0.073 0.000 2.386 735 A HA 0.168 4.519 4.320 0.051 0.000 0.248 735 A C 1.367 178.929 177.584 -0.037 0.000 1.082 735 A CA -0.132 51.872 52.037 -0.055 0.000 0.789 735 A CB 0.515 19.495 19.000 -0.034 0.000 1.025 735 A HN 0.878 nan 8.150 nan 0.000 0.490 736 E N 0.797 120.981 120.200 -0.026 0.000 2.097 736 E HA -0.243 4.137 4.350 0.051 0.000 0.196 736 E C 1.383 177.983 176.600 0.000 0.000 1.000 736 E CA 2.192 58.586 56.400 -0.010 0.000 0.804 736 E CB -0.087 29.612 29.700 -0.001 0.000 0.740 736 E HN 0.797 nan 8.360 nan 0.000 0.454 737 E N 0.473 120.674 120.200 0.002 0.000 2.265 737 E HA -0.107 4.274 4.350 0.051 0.000 0.196 737 E C 0.763 177.373 176.600 0.016 0.000 0.996 737 E CA 0.891 57.297 56.400 0.010 0.000 0.832 737 E CB -0.062 29.643 29.700 0.009 0.000 0.756 737 E HN 0.177 nan 8.360 nan 0.000 0.491 738 N N 0.443 119.152 118.700 0.015 0.000 2.451 738 N HA 0.205 4.976 4.740 0.051 0.000 0.264 738 N C -0.816 174.714 175.510 0.033 0.000 1.167 738 N CA 0.143 53.213 53.050 0.033 0.000 0.898 738 N CB 0.501 39.015 38.487 0.045 0.000 1.176 738 N HN 0.120 nan 8.380 nan 0.000 0.507 739 I N 0.411 120.996 120.570 0.024 0.000 2.468 739 I HA 0.288 4.489 4.170 0.051 0.000 0.285 739 I C -0.422 175.718 176.117 0.038 0.000 1.039 739 I CA -0.929 60.387 61.300 0.028 0.000 1.074 739 I CB 2.218 40.225 38.000 0.012 0.000 1.228 739 I HN -0.318 nan 8.210 nan 0.000 0.436 740 V N 4.193 124.137 119.914 0.050 0.000 2.539 740 V HA 0.350 4.500 4.120 0.051 0.000 0.292 740 V C 0.504 176.626 176.094 0.047 0.000 1.045 740 V CA -0.469 61.856 62.300 0.041 0.000 0.945 740 V CB 1.677 33.523 31.823 0.038 0.000 0.993 740 V HN 0.731 nan 8.190 nan 0.000 0.464 741 S N 3.154 118.875 115.700 0.035 0.000 2.565 741 S HA 0.361 4.861 4.470 0.051 0.000 0.274 741 S C 0.270 174.889 174.600 0.032 0.000 1.309 741 S CA -0.597 57.632 58.200 0.048 0.000 1.043 741 S CB 0.376 63.603 63.200 0.045 0.000 0.939 741 S HN 0.573 nan 8.310 nan 0.000 0.504 742 R N 1.820 122.362 120.500 0.070 0.000 2.351 742 R HA 0.118 4.489 4.340 0.051 0.000 0.318 742 R C 0.876 177.142 176.300 -0.056 0.000 1.055 742 R CA -0.064 56.047 56.100 0.019 0.000 0.968 742 R CB 0.584 30.967 30.300 0.137 0.000 0.974 742 R HN 0.626 nan 8.270 nan 0.000 0.439 743 S N 2.336 117.826 115.700 -0.351 0.000 2.599 743 S HA 0.028 4.529 4.470 0.051 0.000 0.236 743 S C 0.108 174.090 174.600 -1.030 0.000 1.077 743 S CA -0.102 57.850 58.200 -0.413 0.000 0.906 743 S CB 0.586 63.673 63.200 -0.190 0.000 0.804 743 S HN 0.502 nan 8.310 nan 0.000 0.497 744 E N 1.439 121.039 120.200 -0.999 0.000 2.180 744 E HA 0.195 4.575 4.350 0.051 0.000 0.283 744 E C -1.358 174.698 176.600 -0.907 0.000 1.061 744 E CA 0.049 56.019 56.400 -0.716 0.000 0.861 744 E CB 0.382 29.812 29.700 -0.449 0.000 1.056 744 E HN 0.437 nan 8.360 nan 0.000 0.407 745 F N 2.020 121.967 119.950 -0.005 0.000 2.619 745 F HA 0.256 4.814 4.527 0.051 0.000 0.382 745 F C -2.028 173.822 175.800 0.084 0.000 1.466 745 F CA -2.241 55.786 58.000 0.044 0.000 1.137 745 F CB 0.203 39.222 39.000 0.031 0.000 1.205 745 F HN 0.167 nan 8.300 nan 0.000 0.525 746 P HA 0.025 nan 4.420 nan 0.000 0.266 746 P C 0.840 178.365 177.300 0.376 0.000 1.186 746 P CA 0.388 63.619 63.100 0.218 0.000 0.767 746 P CB 1.050 32.813 31.700 0.105 0.000 0.820 747 E N -0.264 120.118 120.200 0.304 0.000 2.276 747 E HA 0.041 4.422 4.350 0.051 0.000 0.193 747 E C 0.411 177.248 176.600 0.394 0.000 0.983 747 E CA 0.577 57.164 56.400 0.311 0.000 0.861 747 E CB 0.351 30.164 29.700 0.187 0.000 0.817 747 E HN 0.410 nan 8.360 nan 0.000 0.485 748 S N 0.216 116.123 115.700 0.345 0.000 2.536 748 S HA 0.496 4.996 4.470 0.051 0.000 0.271 748 S C -1.655 173.154 174.600 0.349 0.000 1.134 748 S CA -0.907 57.480 58.200 0.313 0.000 0.897 748 S CB 1.341 64.642 63.200 0.168 0.000 1.094 748 S HN 0.354 nan 8.310 nan 0.000 0.473 749 W N 3.507 124.809 121.300 0.004 0.000 2.799 749 W HA 0.510 5.200 4.660 0.051 0.000 0.416 749 W C -0.804 175.705 176.519 -0.015 0.000 1.108 749 W CA -0.700 56.623 57.345 -0.037 0.000 1.169 749 W CB -0.205 29.157 29.460 -0.162 0.000 1.471 749 W HN 1.245 nan 8.180 nan 0.000 0.586 750 L N 0.783 121.902 121.223 -0.174 0.000 4.560 750 L HA -0.196 4.175 4.340 0.051 0.000 0.415 750 L C 0.246 177.054 176.870 -0.102 0.000 1.123 750 L CA 0.360 54.950 54.840 -0.417 0.000 0.991 750 L CB -1.655 39.747 42.059 -1.096 0.000 2.127 750 L HN 0.610 nan 8.230 nan 0.000 0.765 751 W N 2.831 124.059 121.300 -0.120 0.000 2.347 751 W HA 0.271 4.962 4.660 0.051 0.000 0.333 751 W C 0.692 177.179 176.519 -0.053 0.000 1.383 751 W CA 0.927 58.231 57.345 -0.069 0.000 1.283 751 W CB 0.337 29.786 29.460 -0.017 0.000 1.253 751 W HN 0.487 nan 8.180 nan 0.000 0.563 752 N N 3.168 121.680 118.700 -0.315 0.000 3.265 752 N HA 0.152 4.922 4.740 0.051 0.000 0.235 752 N C -2.109 173.246 175.510 -0.259 0.000 1.343 752 N CA -0.618 52.312 53.050 -0.200 0.000 0.904 752 N CB 1.973 40.391 38.487 -0.115 0.000 1.492 752 N HN 0.029 nan 8.380 nan 0.000 0.504 753 V N 2.010 121.828 119.914 -0.160 0.000 2.444 753 V HA 0.476 4.627 4.120 0.051 0.000 0.294 753 V C -0.648 175.389 176.094 -0.095 0.000 1.022 753 V CA -0.470 61.746 62.300 -0.140 0.000 0.850 753 V CB 1.586 33.347 31.823 -0.104 0.000 0.992 753 V HN 0.483 nan 8.190 nan 0.000 0.426 754 E N 2.778 122.921 120.200 -0.095 0.000 2.256 754 E HA 0.423 4.804 4.350 0.051 0.000 0.268 754 E C -1.451 175.111 176.600 -0.065 0.000 0.877 754 E CA -0.601 55.758 56.400 -0.069 0.000 0.757 754 E CB 2.687 32.347 29.700 -0.067 0.000 1.183 754 E HN 0.642 nan 8.360 nan 0.000 0.418 755 D N 3.072 123.441 120.400 -0.051 0.000 2.193 755 D HA 0.231 4.902 4.640 0.051 0.000 0.244 755 D C 0.399 176.674 176.300 -0.041 0.000 1.064 755 D CA -0.442 53.531 54.000 -0.045 0.000 0.845 755 D CB 1.801 42.579 40.800 -0.037 0.000 1.148 755 D HN 0.268 nan 8.370 nan 0.000 0.464 756 L N 2.835 124.033 121.223 -0.041 0.000 2.511 756 L HA 0.060 4.431 4.340 0.051 0.000 0.239 756 L C 1.592 178.442 176.870 -0.032 0.000 1.400 756 L CA -0.030 54.787 54.840 -0.039 0.000 1.226 756 L CB -0.324 41.711 42.059 -0.041 0.000 1.475 756 L HN 0.087 nan 8.230 nan 0.000 0.428 757 K N 0.503 120.885 120.400 -0.029 0.000 2.288 757 K HA -0.034 4.316 4.320 0.051 0.000 0.201 757 K C 0.672 177.258 176.600 -0.022 0.000 1.048 757 K CA 0.449 56.721 56.287 -0.024 0.000 0.956 757 K CB 0.112 32.599 32.500 -0.022 0.000 0.746 757 K HN 0.372 nan 8.250 nan 0.000 0.461 758 E N 0.815 121.001 120.200 -0.024 0.000 2.425 758 E HA 0.020 4.401 4.350 0.051 0.000 0.258 758 E C -2.382 174.205 176.600 -0.022 0.000 1.151 758 E CA -1.393 54.994 56.400 -0.022 0.000 0.958 758 E CB 0.316 30.002 29.700 -0.024 0.000 0.968 758 E HN 0.024 nan 8.360 nan 0.000 0.451 759 P HA 0.209 nan 4.420 nan 0.000 0.288 759 P C -2.599 174.690 177.300 -0.019 0.000 1.267 759 P CA -1.790 61.299 63.100 -0.018 0.000 0.815 759 P CB 0.462 32.153 31.700 -0.016 0.000 0.989 760 P HA 0.151 nan 4.420 nan 0.000 0.271 760 P C -0.581 176.708 177.300 -0.019 0.000 1.233 760 P CA 0.162 63.249 63.100 -0.020 0.000 0.764 760 P CB 0.568 32.257 31.700 -0.019 0.000 0.825 761 K N 3.533 123.921 120.400 -0.020 0.000 2.307 761 K HA 0.188 4.539 4.320 0.051 0.000 0.263 761 K C 0.361 176.949 176.600 -0.019 0.000 0.973 761 K CA -0.679 55.597 56.287 -0.019 0.000 0.846 761 K CB 1.130 33.619 32.500 -0.020 0.000 1.100 761 K HN 0.302 nan 8.250 nan 0.000 0.438 762 N N 1.322 120.012 118.700 -0.017 0.000 2.900 762 N HA -0.201 4.570 4.740 0.051 0.000 0.240 762 N C 0.567 176.067 175.510 -0.017 0.000 0.953 762 N CA 1.839 54.879 53.050 -0.017 0.000 0.950 762 N CB -0.865 37.611 38.487 -0.018 0.000 1.102 762 N HN 1.046 nan 8.380 nan 0.000 0.593 763 G N -1.248 107.542 108.800 -0.018 0.000 2.132 763 G HA2 -0.212 3.778 3.960 0.051 0.000 0.228 763 G HA3 -0.212 3.778 3.960 0.051 0.000 0.228 763 G C -0.374 174.513 174.900 -0.022 0.000 1.000 763 G CA 0.271 45.360 45.100 -0.019 0.000 0.693 763 G HN 0.402 nan 8.290 nan 0.000 0.515 764 I N 1.066 121.622 120.570 -0.024 0.000 2.476 764 I HA 0.429 4.630 4.170 0.051 0.000 0.281 764 I C 0.336 176.435 176.117 -0.030 0.000 1.040 764 I CA -0.911 60.373 61.300 -0.028 0.000 1.094 764 I CB 0.895 38.877 38.000 -0.029 0.000 1.219 764 I HN 0.007 nan 8.210 nan 0.000 0.450 765 S N 4.052 119.733 115.700 -0.032 0.000 2.610 765 S HA 0.706 5.207 4.470 0.051 0.000 0.273 765 S C 0.224 174.800 174.600 -0.039 0.000 1.274 765 S CA -0.245 57.935 58.200 -0.033 0.000 1.023 765 S CB 1.218 64.399 63.200 -0.032 0.000 0.962 765 S HN 0.650 nan 8.310 nan 0.000 0.523 766 T N 1.919 116.451 114.554 -0.038 0.000 2.881 766 T HA 0.471 4.851 4.350 0.051 0.000 0.291 766 T C -0.743 173.932 174.700 -0.041 0.000 0.990 766 T CA -0.851 61.223 62.100 -0.043 0.000 0.976 766 T CB 1.251 70.094 68.868 -0.042 0.000 0.970 766 T HN 0.479 nan 8.240 nan 0.000 0.438 767 K N 3.152 123.524 120.400 -0.047 0.000 2.221 767 K HA 0.620 4.971 4.320 0.051 0.000 0.258 767 K C -1.034 175.538 176.600 -0.047 0.000 0.944 767 K CA -0.972 55.289 56.287 -0.044 0.000 0.823 767 K CB 0.964 33.438 32.500 -0.044 0.000 1.113 767 K HN 0.552 nan 8.250 nan 0.000 0.431 768 L N 5.778 126.977 121.223 -0.041 0.000 2.287 768 L HA 0.352 4.723 4.340 0.051 0.000 0.280 768 L C -0.112 176.736 176.870 -0.037 0.000 1.055 768 L CA -0.440 54.376 54.840 -0.040 0.000 0.863 768 L CB 0.780 42.818 42.059 -0.035 0.000 1.245 768 L HN 0.623 nan 8.230 nan 0.000 0.432 769 M N 3.656 123.233 119.600 -0.039 0.000 2.184 769 M HA 0.175 4.686 4.480 0.051 0.000 0.351 769 M C -0.141 176.142 176.300 -0.029 0.000 1.395 769 M CA 0.044 55.325 55.300 -0.032 0.000 1.117 769 M CB 0.488 33.066 32.600 -0.038 0.000 1.708 769 M HN 0.501 nan 8.290 nan 0.000 0.468 770 N N 5.658 124.339 118.700 -0.032 0.000 2.509 770 N HA 0.704 5.475 4.740 0.051 0.000 0.287 770 N C -0.819 174.663 175.510 -0.047 0.000 1.121 770 N CA -0.247 52.770 53.050 -0.055 0.000 0.977 770 N CB 1.744 40.182 38.487 -0.082 0.000 1.167 770 N HN 0.592 nan 8.380 nan 0.000 0.476 771 I N -1.964 118.571 120.570 -0.058 0.000 2.680 771 I HA 0.416 4.617 4.170 0.051 0.000 0.291 771 I C -0.946 175.177 176.117 0.010 0.000 1.244 771 I CA -1.002 60.317 61.300 0.032 0.000 1.042 771 I CB 1.011 39.095 38.000 0.139 0.000 1.277 771 I HN 0.129 nan 8.210 nan 0.000 0.423 772 F N 4.694 124.704 119.950 0.099 0.000 2.518 772 F HA 0.394 4.952 4.527 0.051 0.000 0.359 772 F C 0.385 176.206 175.800 0.035 0.000 1.118 772 F CA 0.047 58.073 58.000 0.043 0.000 1.287 772 F CB 0.570 39.563 39.000 -0.011 0.000 1.132 772 F HN 0.263 nan 8.300 nan 0.000 0.587 773 L N 3.928 125.240 121.223 0.147 0.000 2.334 773 L HA 0.367 4.738 4.340 0.051 0.000 0.275 773 L C 0.082 176.824 176.870 -0.214 0.000 1.036 773 L CA -1.172 53.663 54.840 -0.009 0.000 0.807 773 L CB 1.154 43.285 42.059 0.121 0.000 1.231 773 L HN 0.456 nan 8.230 nan 0.000 0.438 774 K N 1.294 121.379 120.400 -0.525 0.000 2.202 774 K HA 0.091 4.442 4.320 0.051 0.000 0.264 774 K C 0.121 176.652 176.600 -0.114 0.000 1.010 774 K CA -0.391 55.623 56.287 -0.456 0.000 0.940 774 K CB 0.888 32.933 32.500 -0.758 0.000 0.983 774 K HN 0.444 nan 8.250 nan 0.000 0.475 775 D N 0.397 120.691 120.400 -0.176 0.000 2.348 775 D HA -0.062 4.609 4.640 0.051 0.000 0.216 775 D C -0.118 176.205 176.300 0.038 0.000 0.970 775 D CA 0.619 54.555 54.000 -0.106 0.000 0.889 775 D CB 0.075 40.736 40.800 -0.232 0.000 0.912 775 D HN 0.259 nan 8.370 nan 0.000 0.524 776 S N 0.796 116.585 115.700 0.148 0.000 2.811 776 S HA -0.041 4.460 4.470 0.051 0.000 0.325 776 S C 0.742 175.364 174.600 0.037 0.000 1.224 776 S CA -0.008 58.357 58.200 0.275 0.000 1.125 776 S CB -0.078 63.289 63.200 0.277 0.000 0.867 776 S HN 0.152 nan 8.310 nan 0.000 0.512 777 I N 4.438 124.981 120.570 -0.044 0.000 2.406 777 I HA 0.200 4.401 4.170 0.051 0.000 0.293 777 I C 0.894 176.815 176.117 -0.326 0.000 1.101 777 I CA 0.272 61.422 61.300 -0.251 0.000 1.334 777 I CB 0.238 37.957 38.000 -0.470 0.000 1.421 777 I HN 0.590 nan 8.210 nan 0.000 0.513 778 T N 3.175 117.498 114.554 -0.385 0.000 2.686 778 T HA 0.221 4.602 4.350 0.051 0.000 0.289 778 T C -1.050 173.381 174.700 -0.449 0.000 1.783 778 T CA -0.395 61.450 62.100 -0.425 0.000 0.966 778 T CB 1.271 69.857 68.868 -0.469 0.000 2.034 778 T HN 0.395 nan 8.240 nan 0.000 0.436 779 T N 1.564 115.856 114.554 -0.437 0.000 2.797 779 T HA 0.574 4.955 4.350 0.051 0.000 0.279 779 T C -1.271 173.203 174.700 -0.377 0.000 0.991 779 T CA -0.212 61.684 62.100 -0.340 0.000 0.979 779 T CB 0.607 69.359 68.868 -0.194 0.000 0.943 779 T HN 0.421 nan 8.240 nan 0.000 0.444 780 W N 2.197 123.487 121.300 -0.017 0.000 2.335 780 W HA 0.386 5.077 4.660 0.051 0.000 0.307 780 W C 0.719 177.194 176.519 -0.074 0.000 1.117 780 W CA -0.726 56.630 57.345 0.018 0.000 1.228 780 W CB 0.677 30.197 29.460 0.100 0.000 1.240 780 W HN 0.556 nan 8.180 nan 0.000 0.468 781 E N 3.913 124.241 120.200 0.214 0.000 2.259 781 E HA 0.340 4.720 4.350 0.051 0.000 0.281 781 E C -0.751 175.906 176.600 0.096 0.000 1.027 781 E CA -0.392 56.063 56.400 0.093 0.000 0.838 781 E CB 0.808 30.555 29.700 0.079 0.000 1.066 781 E HN 0.421 nan 8.360 nan 0.000 0.401 782 I N 4.864 125.467 120.570 0.054 0.000 2.404 782 I HA 0.262 4.463 4.170 0.051 0.000 0.293 782 I C -0.846 175.311 176.117 0.067 0.000 0.992 782 I CA -0.947 60.381 61.300 0.046 0.000 1.149 782 I CB 1.508 39.565 38.000 0.095 0.000 1.315 782 I HN 0.359 nan 8.210 nan 0.000 0.446 783 L N 6.836 128.071 121.223 0.021 0.000 2.381 783 L HA 0.819 5.190 4.340 0.051 0.000 0.274 783 L C -0.560 176.290 176.870 -0.032 0.000 0.988 783 L CA -0.256 54.593 54.840 0.014 0.000 0.824 783 L CB 1.466 43.538 42.059 0.022 0.000 1.263 783 L HN 0.656 nan 8.230 nan 0.000 0.410 784 A N 4.356 127.155 122.820 -0.034 0.000 2.306 784 A HA 0.896 5.247 4.320 0.051 0.000 0.330 784 A C -1.206 176.338 177.584 -0.066 0.000 1.146 784 A CA -0.539 51.457 52.037 -0.069 0.000 0.827 784 A CB 1.570 20.530 19.000 -0.066 0.000 1.178 784 A HN 0.608 nan 8.150 nan 0.000 0.490 785 V N 1.341 121.202 119.914 -0.089 0.000 2.733 785 V HA 0.587 4.737 4.120 0.051 0.000 0.306 785 V C -0.126 175.919 176.094 -0.081 0.000 1.084 785 V CA -0.223 62.032 62.300 -0.074 0.000 0.905 785 V CB 2.204 33.984 31.823 -0.071 0.000 1.010 785 V HN 1.214 nan 8.190 nan 0.000 0.424 786 S N 4.678 120.340 115.700 -0.062 0.000 2.532 786 S HA 0.909 5.410 4.470 0.051 0.000 0.301 786 S C -0.815 173.755 174.600 -0.050 0.000 1.083 786 S CA -0.738 57.426 58.200 -0.060 0.000 1.025 786 S CB 1.955 65.123 63.200 -0.053 0.000 1.056 786 S HN 0.699 nan 8.310 nan 0.000 0.494 787 M N 3.143 122.714 119.600 -0.049 0.000 2.142 787 M HA 0.582 5.092 4.480 0.051 0.000 0.299 787 M C -0.725 175.554 176.300 -0.035 0.000 0.960 787 M CA -0.034 55.242 55.300 -0.040 0.000 0.920 787 M CB 1.850 34.425 32.600 -0.041 0.000 1.541 787 M HN 0.874 nan 8.290 nan 0.000 0.429 788 S N 2.580 118.262 115.700 -0.030 0.000 2.566 788 S HA 0.488 4.989 4.470 0.051 0.000 0.298 788 S C 0.348 174.935 174.600 -0.022 0.000 1.083 788 S CA -0.558 57.626 58.200 -0.027 0.000 0.978 788 S CB 1.344 64.528 63.200 -0.026 0.000 1.073 788 S HN 0.816 nan 8.310 nan 0.000 0.491 789 D N 2.042 122.430 120.400 -0.021 0.000 2.087 789 D HA -0.033 4.638 4.640 0.051 0.000 0.192 789 D C 1.466 177.756 176.300 -0.016 0.000 0.993 789 D CA 1.734 55.724 54.000 -0.018 0.000 0.828 789 D CB 0.123 40.913 40.800 -0.017 0.000 0.968 789 D HN 0.555 nan 8.370 nan 0.000 0.448 790 K N -0.425 119.965 120.400 -0.016 0.000 2.202 790 K HA 0.165 4.516 4.320 0.051 0.000 0.201 790 K C 1.215 177.806 176.600 -0.015 0.000 1.051 790 K CA 0.539 56.817 56.287 -0.014 0.000 0.977 790 K CB 0.434 32.926 32.500 -0.014 0.000 0.792 790 K HN -0.064 nan 8.250 nan 0.000 0.469 791 K N 0.860 121.250 120.400 -0.017 0.000 2.500 791 K HA 0.192 4.543 4.320 0.051 0.000 0.206 791 K C 0.462 177.051 176.600 -0.017 0.000 1.034 791 K CA 0.374 56.651 56.287 -0.017 0.000 1.179 791 K CB 0.589 33.078 32.500 -0.018 0.000 0.884 791 K HN 0.310 nan 8.250 nan 0.000 0.493 792 G N 2.463 111.253 108.800 -0.017 0.000 2.578 792 G HA2 -0.330 3.661 3.960 0.051 0.000 0.275 792 G HA3 -0.330 3.661 3.960 0.051 0.000 0.275 792 G C 0.028 174.916 174.900 -0.020 0.000 1.271 792 G CA -0.178 44.912 45.100 -0.017 0.000 0.941 792 G HN 0.374 nan 8.290 nan 0.000 0.564 793 I N -0.259 120.300 120.570 -0.018 0.000 2.823 793 I HA 0.528 4.729 4.170 0.051 0.000 0.290 793 I C 0.588 176.693 176.117 -0.021 0.000 1.091 793 I CA 0.232 61.520 61.300 -0.021 0.000 1.365 793 I CB 0.923 38.913 38.000 -0.018 0.000 1.427 793 I HN 1.152 nan 8.210 nan 0.000 0.583 794 C N 6.242 125.528 119.300 -0.025 0.000 3.247 794 C HA 0.583 5.074 4.460 0.051 0.000 0.375 794 C C -1.400 173.574 174.990 -0.027 0.000 1.102 794 C CA -0.485 58.519 59.018 -0.023 0.000 1.227 794 C CB 0.578 28.303 27.740 -0.024 0.000 1.586 794 C HN 0.568 nan 8.230 nan 0.000 0.544 795 V N 5.281 125.183 119.914 -0.021 0.000 2.495 795 V HA 0.822 4.973 4.120 0.051 0.000 0.298 795 V C 0.952 177.036 176.094 -0.016 0.000 1.031 795 V CA 0.398 62.686 62.300 -0.020 0.000 0.871 795 V CB 1.329 33.145 31.823 -0.011 0.000 0.988 795 V HN 1.305 nan 8.190 nan 0.000 0.432 796 A N 3.780 126.589 122.820 -0.019 0.000 2.445 796 A HA 0.536 4.887 4.320 0.051 0.000 0.270 796 A C -0.088 177.497 177.584 0.003 0.000 1.495 796 A CA -0.288 51.741 52.037 -0.014 0.000 0.840 796 A CB 0.164 19.151 19.000 -0.022 0.000 1.472 796 A HN 0.777 nan 8.150 nan 0.000 0.541 797 D N -0.654 119.755 120.400 0.014 0.000 2.340 797 D HA 0.541 5.211 4.640 0.051 0.000 0.243 797 D C -2.589 173.750 176.300 0.066 0.000 0.988 797 D CA -0.956 53.065 54.000 0.035 0.000 0.959 797 D CB 0.755 41.576 40.800 0.035 0.000 1.226 797 D HN 0.151 nan 8.370 nan 0.000 0.509 798 P HA 0.171 nan 4.420 nan 0.000 0.269 798 P C -0.758 176.654 177.300 0.186 0.000 1.215 798 P CA -0.135 63.026 63.100 0.101 0.000 0.780 798 P CB 0.291 32.031 31.700 0.067 0.000 0.898 799 F N 1.117 121.076 119.950 0.015 0.000 2.671 799 F HA 0.303 4.861 4.527 0.051 0.000 0.332 799 F C -0.769 175.055 175.800 0.041 0.000 1.189 799 F CA -0.858 57.153 58.000 0.018 0.000 0.988 799 F CB 1.336 40.338 39.000 0.005 0.000 1.258 799 F HN 0.219 nan 8.300 nan 0.000 0.471 800 E N 5.214 125.103 120.200 -0.517 0.000 2.259 800 E HA 0.552 4.933 4.350 0.051 0.000 0.281 800 E C -1.112 175.059 176.600 -0.715 0.000 1.027 800 E CA -0.827 55.301 56.400 -0.453 0.000 0.838 800 E CB 2.418 32.006 29.700 -0.188 0.000 1.066 800 E HN 0.398 nan 8.360 nan 0.000 0.401 801 V N 2.814 122.462 119.914 -0.444 0.000 2.531 801 V HA 0.294 4.445 4.120 0.051 0.000 0.301 801 V C -0.082 175.992 176.094 -0.034 0.000 1.034 801 V CA -0.711 61.437 62.300 -0.254 0.000 0.865 801 V CB 1.988 33.734 31.823 -0.129 0.000 0.995 801 V HN 0.638 nan 8.190 nan 0.000 0.424 802 T N 4.103 118.629 114.554 -0.046 0.000 2.807 802 T HA 0.627 5.008 4.350 0.051 0.000 0.279 802 T C -0.652 174.025 174.700 -0.039 0.000 0.993 802 T CA -0.263 61.792 62.100 -0.076 0.000 0.970 802 T CB 1.473 70.274 68.868 -0.111 0.000 0.950 802 T HN 0.406 nan 8.240 nan 0.000 0.441 803 V N 5.535 125.404 119.914 -0.075 0.000 2.357 803 V HA 0.678 4.829 4.120 0.051 0.000 0.284 803 V C -0.245 175.760 176.094 -0.147 0.000 1.018 803 V CA -0.749 61.526 62.300 -0.041 0.000 0.841 803 V CB 1.224 33.080 31.823 0.054 0.000 0.991 803 V HN 0.798 nan 8.190 nan 0.000 0.437 804 M N 4.146 123.669 119.600 -0.129 0.000 2.593 804 M HA 0.611 5.122 4.480 0.051 0.000 0.290 804 M C -1.195 175.026 176.300 -0.131 0.000 1.244 804 M CA -0.227 54.950 55.300 -0.205 0.000 0.857 804 M CB 2.592 35.086 32.600 -0.177 0.000 1.738 804 M HN 0.658 nan 8.290 nan 0.000 0.461 805 Q N 0.784 120.493 119.800 -0.151 0.000 2.389 805 Q HA 0.323 4.694 4.340 0.051 0.000 0.277 805 Q C -0.507 175.628 176.000 0.225 0.000 1.082 805 Q CA -0.829 55.013 55.803 0.065 0.000 0.810 805 Q CB 2.015 30.832 28.738 0.131 0.000 1.374 805 Q HN 0.691 nan 8.270 nan 0.000 0.422 806 D N 0.463 121.021 120.400 0.264 0.000 2.144 806 D HA -0.053 4.618 4.640 0.051 0.000 0.199 806 D C -0.171 176.427 176.300 0.498 0.000 0.984 806 D CA 1.478 55.680 54.000 0.336 0.000 0.834 806 D CB 0.265 41.214 40.800 0.249 0.000 0.955 806 D HN 0.289 nan 8.370 nan 0.000 0.465 807 F N 0.227 120.377 119.950 0.334 0.000 2.578 807 F HA 0.485 5.043 4.527 0.051 0.000 0.311 807 F C -1.507 174.547 175.800 0.423 0.000 1.094 807 F CA -1.048 57.128 58.000 0.293 0.000 0.923 807 F CB 1.274 40.360 39.000 0.143 0.000 1.230 807 F HN -0.134 nan 8.300 nan 0.000 0.450 808 F N 3.778 123.182 119.950 -0.910 0.000 2.842 808 F HA 0.716 5.274 4.527 0.051 0.000 0.319 808 F C -2.216 173.271 175.800 -0.520 0.000 1.159 808 F CA -1.632 55.969 58.000 -0.665 0.000 0.902 808 F CB 0.718 39.607 39.000 -0.184 0.000 1.311 808 F HN 0.380 nan 8.300 nan 0.000 0.453 809 I N 0.832 121.317 120.570 -0.142 0.000 2.750 809 I HA 0.525 4.726 4.170 0.051 0.000 0.308 809 I C -1.352 174.870 176.117 0.175 0.000 1.016 809 I CA -0.652 60.606 61.300 -0.070 0.000 1.098 809 I CB 1.797 39.782 38.000 -0.024 0.000 1.279 809 I HN 0.618 nan 8.210 nan 0.000 0.454 810 D N 3.972 124.461 120.400 0.148 0.000 2.378 810 D HA 0.293 4.963 4.640 0.051 0.000 0.265 810 D C -1.304 175.030 176.300 0.057 0.000 1.229 810 D CA -0.438 53.663 54.000 0.168 0.000 0.914 810 D CB 0.954 41.952 40.800 0.331 0.000 1.140 810 D HN 0.237 nan 8.370 nan 0.000 0.516 811 L N 3.778 124.995 121.223 -0.009 0.000 2.369 811 L HA 0.362 4.733 4.340 0.051 0.000 0.279 811 L C 0.176 177.014 176.870 -0.054 0.000 1.108 811 L CA 0.090 54.909 54.840 -0.035 0.000 0.852 811 L CB 0.299 42.320 42.059 -0.064 0.000 1.169 811 L HN 0.194 nan 8.230 nan 0.000 0.452 812 R N 5.559 126.045 120.500 -0.024 0.000 3.956 812 R HA 0.268 4.639 4.340 0.051 0.000 0.237 812 R C -0.830 175.456 176.300 -0.023 0.000 1.552 812 R CA -0.716 55.371 56.100 -0.020 0.000 1.529 812 R CB -0.691 29.610 30.300 0.002 0.000 1.376 812 R HN 0.412 nan 8.270 nan 0.000 0.733 813 L N 2.370 123.568 121.223 -0.042 0.000 2.397 813 L HA 0.262 4.632 4.340 0.051 0.000 0.271 813 L C -1.461 175.407 176.870 -0.003 0.000 1.148 813 L CA -1.262 53.560 54.840 -0.031 0.000 0.825 813 L CB -0.090 41.941 42.059 -0.047 0.000 1.117 813 L HN 0.221 nan 8.230 nan 0.000 0.456 814 P HA 0.056 nan 4.420 nan 0.000 0.302 814 P C 0.220 177.571 177.300 0.085 0.000 1.301 814 P CA -0.223 62.909 63.100 0.053 0.000 0.745 814 P CB 0.336 32.071 31.700 0.057 0.000 1.331 815 Y N -0.133 120.169 120.300 0.003 0.000 2.153 815 Y HA 0.038 4.619 4.550 0.051 0.000 0.289 815 Y C 1.004 176.917 175.900 0.021 0.000 1.119 815 Y CA 1.679 59.785 58.100 0.009 0.000 1.116 815 Y CB -0.177 38.286 38.460 0.006 0.000 1.004 815 Y HN 0.395 nan 8.280 nan 0.000 0.501 816 S N -0.040 115.679 115.700 0.032 0.000 2.627 816 S HA 0.723 5.224 4.470 0.051 0.000 0.283 816 S C -1.234 173.391 174.600 0.042 0.000 1.127 816 S CA -0.077 58.094 58.200 -0.047 0.000 0.863 816 S CB 1.663 64.846 63.200 -0.028 0.000 1.121 816 S HN 0.660 nan 8.310 nan 0.000 0.479 817 V N -0.744 119.190 119.914 0.034 0.000 2.851 817 V HA 0.775 4.926 4.120 0.051 0.000 0.307 817 V C -0.616 175.502 176.094 0.040 0.000 1.129 817 V CA -0.936 61.401 62.300 0.061 0.000 0.932 817 V CB 0.958 32.842 31.823 0.101 0.000 1.024 817 V HN 0.906 nan 8.190 nan 0.000 0.426 818 V N 2.775 122.713 119.914 0.040 0.000 2.732 818 V HA 0.457 4.608 4.120 0.051 0.000 0.297 818 V C 0.895 176.992 176.094 0.005 0.000 1.060 818 V CA -0.459 61.848 62.300 0.012 0.000 1.038 818 V CB 1.015 32.849 31.823 0.018 0.000 1.003 818 V HN 1.101 nan 8.190 nan 0.000 0.481 819 R N 3.137 123.620 120.500 -0.029 0.000 2.698 819 R HA -0.007 4.364 4.340 0.051 0.000 0.266 819 R C 0.794 177.087 176.300 -0.012 0.000 1.026 819 R CA 0.867 56.943 56.100 -0.039 0.000 1.102 819 R CB -0.450 29.812 30.300 -0.063 0.000 0.978 819 R HN 0.913 nan 8.270 nan 0.000 0.436 820 N N 1.243 119.938 118.700 -0.008 0.000 2.707 820 N HA -0.281 4.490 4.740 0.051 0.000 0.253 820 N C -1.130 174.392 175.510 0.020 0.000 0.998 820 N CA 0.998 54.053 53.050 0.009 0.000 0.751 820 N CB -0.543 37.951 38.487 0.012 0.000 0.920 820 N HN 0.631 nan 8.380 nan 0.000 0.539 821 E N 1.066 121.285 120.200 0.031 0.000 2.260 821 E HA 0.158 4.539 4.350 0.051 0.000 0.266 821 E C -0.966 175.670 176.600 0.060 0.000 0.887 821 E CA -0.583 55.844 56.400 0.045 0.000 0.777 821 E CB 1.334 31.067 29.700 0.055 0.000 1.205 821 E HN 0.226 nan 8.360 nan 0.000 0.414 822 Q N 2.889 122.708 119.800 0.032 0.000 2.311 822 Q HA 0.279 4.650 4.340 0.051 0.000 0.272 822 Q C -0.425 175.672 176.000 0.162 0.000 1.012 822 Q CA -0.255 55.553 55.803 0.007 0.000 0.891 822 Q CB 0.976 29.567 28.738 -0.246 0.000 1.201 822 Q HN 0.453 nan 8.270 nan 0.000 0.391 823 V N 0.326 120.355 119.914 0.192 0.000 3.074 823 V HA 0.683 4.834 4.120 0.051 0.000 0.314 823 V C -1.062 175.179 176.094 0.245 0.000 1.117 823 V CA -0.926 61.511 62.300 0.229 0.000 1.014 823 V CB 2.008 33.924 31.823 0.155 0.000 1.057 823 V HN 0.908 nan 8.190 nan 0.000 0.438 824 E N 1.656 121.966 120.200 0.183 0.000 2.256 824 E HA 0.758 5.139 4.350 0.051 0.000 0.267 824 E C -1.338 175.305 176.600 0.071 0.000 0.892 824 E CA -0.982 55.495 56.400 0.128 0.000 0.775 824 E CB 2.357 32.099 29.700 0.070 0.000 1.207 824 E HN 0.972 nan 8.360 nan 0.000 0.420 825 I N 0.428 121.039 120.570 0.070 0.000 2.769 825 I HA 0.603 4.804 4.170 0.051 0.000 0.298 825 I C -1.274 174.882 176.117 0.066 0.000 1.128 825 I CA -1.058 60.270 61.300 0.046 0.000 1.031 825 I CB 1.854 39.861 38.000 0.013 0.000 1.235 825 I HN 0.332 nan 8.210 nan 0.000 0.423 826 R N 4.599 125.123 120.500 0.041 0.000 2.407 826 R HA 0.751 5.121 4.340 0.051 0.000 0.303 826 R C -0.780 175.550 176.300 0.050 0.000 0.981 826 R CA -0.853 55.270 56.100 0.037 0.000 0.905 826 R CB 1.629 31.937 30.300 0.013 0.000 1.099 826 R HN 0.814 nan 8.270 nan 0.000 0.459 827 A N 2.911 125.773 122.820 0.070 0.000 2.323 827 A HA 0.474 4.825 4.320 0.051 0.000 0.305 827 A C -0.427 177.156 177.584 -0.002 0.000 1.275 827 A CA -0.709 51.368 52.037 0.067 0.000 0.804 827 A CB 0.882 19.989 19.000 0.179 0.000 1.152 827 A HN 0.393 nan 8.150 nan 0.000 0.487 828 V N 3.610 123.504 119.914 -0.034 0.000 2.439 828 V HA 0.438 4.589 4.120 0.051 0.000 0.282 828 V C -0.328 175.626 176.094 -0.234 0.000 1.039 828 V CA -0.361 61.843 62.300 -0.160 0.000 0.913 828 V CB 0.948 32.686 31.823 -0.142 0.000 0.983 828 V HN 0.726 nan 8.190 nan 0.000 0.460 829 L N 5.350 126.346 121.223 -0.378 0.000 2.334 829 L HA 0.627 4.997 4.340 0.051 0.000 0.273 829 L C -0.785 175.693 176.870 -0.654 0.000 1.013 829 L CA -0.291 54.314 54.840 -0.392 0.000 0.816 829 L CB 1.410 43.366 42.059 -0.171 0.000 1.278 829 L HN 0.504 nan 8.230 nan 0.000 0.431 830 Y N 0.513 120.452 120.300 -0.601 0.000 2.477 830 Y HA 0.501 5.082 4.550 0.051 0.000 0.347 830 Y C -0.156 175.556 175.900 -0.313 0.000 0.981 830 Y CA -0.844 56.946 58.100 -0.517 0.000 1.033 830 Y CB 1.987 40.079 38.460 -0.612 0.000 1.245 830 Y HN 0.517 nan 8.280 nan 0.000 0.455 831 N N 1.788 120.413 118.700 -0.126 0.000 2.483 831 N HA 0.239 5.010 4.740 0.051 0.000 0.267 831 N C -1.267 174.155 175.510 -0.145 0.000 0.998 831 N CA -0.507 52.549 53.050 0.009 0.000 0.918 831 N CB 0.497 38.998 38.487 0.023 0.000 1.215 831 N HN 0.662 nan 8.380 nan 0.000 0.500 832 Y N 1.082 121.480 120.300 0.162 0.000 2.500 832 Y HA 0.345 4.926 4.550 0.051 0.000 0.246 832 Y C 0.665 176.632 175.900 0.111 0.000 1.146 832 Y CA -0.535 57.650 58.100 0.142 0.000 1.230 832 Y CB 0.564 39.126 38.460 0.170 0.000 1.214 832 Y HN 0.224 nan 8.280 nan 0.000 0.526 833 R N 1.825 122.454 120.500 0.215 0.000 2.481 833 R HA -0.151 4.220 4.340 0.051 0.000 0.291 833 R C 1.301 177.667 176.300 0.110 0.000 0.934 833 R CA 0.322 56.502 56.100 0.133 0.000 1.116 833 R CB 0.588 30.928 30.300 0.067 0.000 0.895 833 R HN 0.367 nan 8.270 nan 0.000 0.410 834 Q N 3.078 122.941 119.800 0.105 0.000 2.226 834 Q HA -0.190 4.181 4.340 0.051 0.000 0.204 834 Q C -0.288 175.751 176.000 0.066 0.000 0.975 834 Q CA 1.985 57.844 55.803 0.094 0.000 0.866 834 Q CB 0.121 28.910 28.738 0.085 0.000 0.915 834 Q HN 0.785 nan 8.270 nan 0.000 0.440 835 N N -1.246 117.487 118.700 0.054 0.000 2.635 835 N HA 0.212 4.983 4.740 0.051 0.000 0.252 835 N C -1.461 174.070 175.510 0.034 0.000 1.589 835 N CA -0.311 52.762 53.050 0.039 0.000 0.828 835 N CB 0.459 38.968 38.487 0.037 0.000 1.403 835 N HN -0.046 nan 8.380 nan 0.000 0.518 836 Q N 1.247 121.065 119.800 0.028 0.000 2.269 836 Q HA 0.144 4.515 4.340 0.051 0.000 0.263 836 Q C -1.257 174.746 176.000 0.006 0.000 0.983 836 Q CA -0.661 55.155 55.803 0.021 0.000 0.777 836 Q CB 1.941 30.686 28.738 0.013 0.000 1.273 836 Q HN 0.544 nan 8.270 nan 0.000 0.440 837 E N 3.773 123.977 120.200 0.007 0.000 2.366 837 E HA 0.348 4.729 4.350 0.051 0.000 0.266 837 E C -0.961 175.639 176.600 0.000 0.000 1.051 837 E CA -0.351 56.048 56.400 -0.002 0.000 0.884 837 E CB 1.036 30.732 29.700 -0.007 0.000 1.006 837 E HN 0.416 nan 8.360 nan 0.000 0.417 838 L N 2.776 123.997 121.223 -0.004 0.000 2.343 838 L HA 0.367 4.738 4.340 0.051 0.000 0.278 838 L C -0.236 176.635 176.870 0.003 0.000 0.996 838 L CA -0.855 53.981 54.840 -0.007 0.000 0.831 838 L CB 1.610 43.654 42.059 -0.025 0.000 1.232 838 L HN 0.567 nan 8.230 nan 0.000 0.413 839 K N 2.715 123.124 120.400 0.016 0.000 2.276 839 K HA 0.546 4.897 4.320 0.051 0.000 0.285 839 K C -0.853 175.765 176.600 0.030 0.000 1.062 839 K CA -0.277 55.975 56.287 -0.058 0.000 0.918 839 K CB 1.335 33.717 32.500 -0.198 0.000 1.055 839 K HN 0.272 nan 8.250 nan 0.000 0.477 840 V N 3.075 123.009 119.914 0.033 0.000 2.914 840 V HA 0.503 4.654 4.120 0.051 0.000 0.314 840 V C -0.346 175.858 176.094 0.183 0.000 1.084 840 V CA -1.114 61.260 62.300 0.124 0.000 0.963 840 V CB 2.039 33.918 31.823 0.093 0.000 1.025 840 V HN 0.658 nan 8.190 nan 0.000 0.432 841 R N 1.500 122.117 120.500 0.195 0.000 2.412 841 R HA 0.580 4.951 4.340 0.051 0.000 0.304 841 R C -1.576 174.783 176.300 0.098 0.000 1.066 841 R CA -0.261 55.933 56.100 0.156 0.000 0.923 841 R CB 1.822 32.229 30.300 0.179 0.000 1.156 841 R HN 0.593 nan 8.270 nan 0.000 0.513 842 V N 3.453 123.416 119.914 0.082 0.000 2.481 842 V HA 0.379 4.530 4.120 0.051 0.000 0.286 842 V C -0.432 175.707 176.094 0.074 0.000 1.042 842 V CA -0.209 62.146 62.300 0.093 0.000 0.928 842 V CB 1.716 33.600 31.823 0.103 0.000 0.986 842 V HN 0.779 nan 8.190 nan 0.000 0.462 843 E N 4.627 124.875 120.200 0.079 0.000 2.292 843 E HA 0.461 4.841 4.350 0.051 0.000 0.272 843 E C -1.799 174.788 176.600 -0.021 0.000 0.881 843 E CA -0.893 55.533 56.400 0.044 0.000 0.754 843 E CB 2.024 31.739 29.700 0.025 0.000 1.201 843 E HN 0.643 nan 8.360 nan 0.000 0.425 844 L N 4.460 125.629 121.223 -0.091 0.000 2.334 844 L HA 0.440 4.811 4.340 0.051 0.000 0.277 844 L C -1.506 175.320 176.870 -0.073 0.000 1.075 844 L CA -0.347 54.316 54.840 -0.295 0.000 0.804 844 L CB 1.039 42.746 42.059 -0.585 0.000 1.174 844 L HN 0.583 nan 8.230 nan 0.000 0.438 845 L N 3.954 125.129 121.223 -0.081 0.000 2.325 845 L HA 0.351 4.722 4.340 0.051 0.000 0.279 845 L C -0.465 176.427 176.870 0.037 0.000 1.054 845 L CA -0.280 54.561 54.840 0.002 0.000 0.804 845 L CB 0.949 43.002 42.059 -0.010 0.000 1.200 845 L HN 0.713 nan 8.230 nan 0.000 0.436 846 H N 2.803 121.877 119.070 0.006 0.000 2.767 846 H HA 0.334 4.921 4.556 0.051 0.000 0.316 846 H C -0.765 174.588 175.328 0.041 0.000 1.059 846 H CA 0.072 56.136 56.048 0.027 0.000 1.461 846 H CB 0.441 30.220 29.762 0.029 0.000 1.475 846 H HN 0.531 nan 8.280 nan 0.000 0.531 847 N N 5.412 123.812 118.700 -0.501 0.000 2.461 847 N HA 0.270 5.041 4.740 0.051 0.000 0.284 847 N C -2.374 172.928 175.510 -0.346 0.000 1.049 847 N CA -2.375 50.429 53.050 -0.410 0.000 0.889 847 N CB 1.956 40.423 38.487 -0.033 0.000 1.365 847 N HN 0.359 nan 8.380 nan 0.000 0.499 848 P HA -0.010 nan 4.420 nan 0.000 0.234 848 P C 0.357 177.622 177.300 -0.059 0.000 1.162 848 P CA 0.623 63.677 63.100 -0.078 0.000 0.759 848 P CB 0.174 31.859 31.700 -0.025 0.000 0.813 849 A N -2.141 120.617 122.820 -0.103 0.000 2.238 849 A HA 0.151 4.501 4.320 0.051 0.000 0.208 849 A C 0.341 177.624 177.584 -0.501 0.000 1.177 849 A CA 0.455 52.334 52.037 -0.262 0.000 0.804 849 A CB -0.713 18.116 19.000 -0.284 0.000 0.823 849 A HN 0.140 nan 8.150 nan 0.000 0.482 850 F N -2.343 117.592 119.950 -0.026 0.000 2.588 850 F HA 0.324 4.882 4.527 0.051 0.000 0.318 850 F C -0.113 175.703 175.800 0.026 0.000 1.155 850 F CA -0.867 57.131 58.000 -0.004 0.000 0.967 850 F CB 1.278 40.269 39.000 -0.015 0.000 1.236 850 F HN -0.097 nan 8.300 nan 0.000 0.455 851 C N 3.511 122.943 119.300 0.221 0.000 2.585 851 C HA 0.766 5.257 4.460 0.051 0.000 0.406 851 C C -0.105 174.971 174.990 0.144 0.000 1.312 851 C CA 0.092 59.195 59.018 0.142 0.000 1.924 851 C CB -1.131 26.652 27.740 0.072 0.000 2.578 851 C HN 0.860 nan 8.230 nan 0.000 0.580 852 S N 4.449 120.210 115.700 0.102 0.000 2.595 852 S HA 0.332 4.833 4.470 0.051 0.000 0.270 852 S C 0.101 174.708 174.600 0.011 0.000 1.145 852 S CA -0.873 57.371 58.200 0.074 0.000 0.825 852 S CB 0.545 63.818 63.200 0.121 0.000 1.107 852 S HN 0.575 nan 8.310 nan 0.000 0.461 853 L N 0.734 121.904 121.223 -0.087 0.000 2.191 853 L HA 0.106 4.477 4.340 0.051 0.000 0.212 853 L C 1.654 178.456 176.870 -0.114 0.000 1.103 853 L CA 1.290 56.000 54.840 -0.217 0.000 0.769 853 L CB -0.795 40.911 42.059 -0.589 0.000 0.908 853 L HN 0.902 nan 8.230 nan 0.000 0.438 854 A N 0.830 123.663 122.820 0.022 0.000 2.484 854 A HA 0.317 4.668 4.320 0.051 0.000 0.268 854 A C 0.574 178.145 177.584 -0.023 0.000 1.114 854 A CA 0.215 52.300 52.037 0.080 0.000 0.780 854 A CB -0.304 18.806 19.000 0.184 0.000 1.061 854 A HN 0.353 nan 8.150 nan 0.000 0.505 855 T N -0.717 113.764 114.554 -0.121 0.000 2.940 855 T HA 0.404 4.784 4.350 0.051 0.000 0.288 855 T C 1.058 175.574 174.700 -0.307 0.000 1.033 855 T CA 0.228 62.148 62.100 -0.299 0.000 1.033 855 T CB 1.447 70.202 68.868 -0.188 0.000 1.079 855 T HN 0.490 nan 8.240 nan 0.000 0.496 856 T N -0.059 114.234 114.554 -0.435 0.000 2.849 856 T HA -0.016 4.365 4.350 0.051 0.000 0.270 856 T C 1.185 175.831 174.700 -0.091 0.000 1.066 856 T CA 1.306 63.276 62.100 -0.217 0.000 1.130 856 T CB -0.454 68.335 68.868 -0.132 0.000 0.864 856 T HN 0.649 nan 8.240 nan 0.000 0.481 857 K N 0.372 120.715 120.400 -0.094 0.000 2.514 857 K HA 0.289 4.640 4.320 0.051 0.000 0.207 857 K C 0.076 176.645 176.600 -0.052 0.000 1.035 857 K CA -0.196 56.056 56.287 -0.059 0.000 1.113 857 K CB 0.640 33.107 32.500 -0.056 0.000 0.846 857 K HN 0.037 nan 8.250 nan 0.000 0.491 858 R N 1.219 121.687 120.500 -0.053 0.000 2.659 858 R HA 0.182 4.553 4.340 0.051 0.000 0.290 858 R C -1.125 175.172 176.300 -0.005 0.000 1.253 858 R CA -0.481 55.601 56.100 -0.030 0.000 1.010 858 R CB 0.944 31.220 30.300 -0.040 0.000 1.236 858 R HN 0.062 nan 8.270 nan 0.000 0.413 859 R N 1.320 121.834 120.500 0.023 0.000 2.774 859 R HA 0.077 4.448 4.340 0.051 0.000 0.269 859 R C 0.083 176.462 176.300 0.132 0.000 1.068 859 R CA -0.036 56.103 56.100 0.066 0.000 1.180 859 R CB 0.446 30.778 30.300 0.054 0.000 1.077 859 R HN 0.452 nan 8.270 nan 0.000 0.513 860 H N 1.676 120.774 119.070 0.047 0.000 2.541 860 H HA 0.174 4.761 4.556 0.051 0.000 0.316 860 H C -1.029 174.365 175.328 0.109 0.000 1.043 860 H CA -0.681 55.414 56.048 0.078 0.000 1.232 860 H CB 0.755 30.598 29.762 0.135 0.000 1.406 860 H HN 0.582 nan 8.280 nan 0.000 0.469 861 Q N 4.016 123.853 119.800 0.062 0.000 2.320 861 Q HA 0.358 4.729 4.340 0.051 0.000 0.272 861 Q C -1.773 174.187 176.000 -0.066 0.000 1.023 861 Q CA -1.157 54.629 55.803 -0.028 0.000 0.855 861 Q CB 2.437 31.188 28.738 0.022 0.000 1.367 861 Q HN 0.509 nan 8.270 nan 0.000 0.406 862 Q N 0.569 120.309 119.800 -0.100 0.000 2.416 862 Q HA 0.697 5.067 4.340 0.051 0.000 0.279 862 Q C -1.103 174.864 176.000 -0.055 0.000 1.101 862 Q CA -0.699 55.030 55.803 -0.123 0.000 0.830 862 Q CB 2.646 31.285 28.738 -0.164 0.000 1.402 862 Q HN 0.680 nan 8.270 nan 0.000 0.445 863 T N 0.622 115.129 114.554 -0.080 0.000 2.815 863 T HA 0.656 5.037 4.350 0.051 0.000 0.289 863 T C -0.825 173.897 174.700 0.037 0.000 1.000 863 T CA -0.748 61.354 62.100 0.003 0.000 0.958 863 T CB 0.643 69.526 68.868 0.024 0.000 0.944 863 T HN 0.513 nan 8.240 nan 0.000 0.442 864 V N 0.209 120.149 119.914 0.045 0.000 3.114 864 V HA 0.841 4.992 4.120 0.051 0.000 0.308 864 V C -0.686 175.429 176.094 0.035 0.000 1.168 864 V CA -0.900 61.447 62.300 0.079 0.000 1.015 864 V CB 2.280 34.147 31.823 0.073 0.000 1.050 864 V HN 0.689 nan 8.190 nan 0.000 0.433 865 T N 4.438 119.015 114.554 0.039 0.000 2.929 865 T HA 0.580 4.961 4.350 0.051 0.000 0.331 865 T C -0.033 174.669 174.700 0.004 0.000 1.120 865 T CA 0.037 62.140 62.100 0.006 0.000 0.973 865 T CB -0.204 68.659 68.868 -0.007 0.000 1.036 865 T HN 0.601 nan 8.240 nan 0.000 0.502 866 I N 6.400 126.973 120.570 0.005 0.000 2.496 866 I HA 0.251 4.452 4.170 0.051 0.000 0.285 866 I C -1.661 174.445 176.117 -0.019 0.000 1.080 866 I CA -2.174 59.120 61.300 -0.010 0.000 1.404 866 I CB 0.782 38.783 38.000 0.001 0.000 1.403 866 I HN 0.304 nan 8.210 nan 0.000 0.539 867 P HA 0.334 nan 4.420 nan 0.000 0.289 867 P C -2.669 174.609 177.300 -0.036 0.000 1.299 867 P CA -1.611 61.468 63.100 -0.036 0.000 0.766 867 P CB -0.389 31.282 31.700 -0.049 0.000 1.226 868 P HA 0.079 nan 4.420 nan 0.000 0.275 868 P C -0.419 176.858 177.300 -0.040 0.000 1.266 868 P CA -0.256 62.834 63.100 -0.018 0.000 0.793 868 P CB -0.107 31.594 31.700 0.002 0.000 1.074 869 K N -0.134 120.246 120.400 -0.033 0.000 4.748 869 K HA -0.111 4.239 4.320 0.051 0.000 0.277 869 K C -0.107 176.426 176.600 -0.112 0.000 0.718 869 K CA 1.046 57.296 56.287 -0.062 0.000 0.750 869 K CB -1.826 30.700 32.500 0.044 0.000 2.012 869 K HN 0.727 nan 8.250 nan 0.000 0.392 870 S N -1.610 113.946 115.700 -0.241 0.000 2.661 870 S HA 0.625 5.126 4.470 0.051 0.000 0.268 870 S C -0.625 173.834 174.600 -0.235 0.000 1.162 870 S CA -0.531 57.575 58.200 -0.157 0.000 0.817 870 S CB 2.119 65.268 63.200 -0.084 0.000 1.141 870 S HN 0.413 nan 8.310 nan 0.000 0.477 871 S N 0.166 115.745 115.700 -0.202 0.000 2.740 871 S HA 0.903 5.404 4.470 0.051 0.000 0.300 871 S C -1.205 173.224 174.600 -0.285 0.000 1.147 871 S CA -0.901 57.038 58.200 -0.435 0.000 0.871 871 S CB 1.627 64.369 63.200 -0.763 0.000 1.173 871 S HN 1.577 nan 8.310 nan 0.000 0.510 872 L N 0.912 121.929 121.223 -0.343 0.000 2.830 872 L HA 0.427 4.798 4.340 0.051 0.000 0.259 872 L C -1.241 175.522 176.870 -0.178 0.000 0.943 872 L CA -0.165 54.566 54.840 -0.182 0.000 0.997 872 L CB 1.875 43.865 42.059 -0.115 0.000 1.427 872 L HN 0.829 nan 8.230 nan 0.000 0.456 873 S N 2.834 118.460 115.700 -0.124 0.000 2.499 873 S HA 0.500 5.001 4.470 0.051 0.000 0.275 873 S C -0.325 174.231 174.600 -0.074 0.000 1.257 873 S CA -0.318 57.823 58.200 -0.098 0.000 1.050 873 S CB 1.226 64.385 63.200 -0.068 0.000 0.937 873 S HN 0.359 nan 8.310 nan 0.000 0.490 874 V N 7.573 127.441 119.914 -0.077 0.000 2.350 874 V HA 0.401 4.552 4.120 0.051 0.000 0.285 874 V C -2.043 173.974 176.094 -0.129 0.000 1.014 874 V CA -1.811 60.414 62.300 -0.125 0.000 0.831 874 V CB 1.401 33.144 31.823 -0.133 0.000 1.000 874 V HN 0.656 nan 8.190 nan 0.000 0.433 875 P HA 0.489 nan 4.420 nan 0.000 0.278 875 P C -1.637 175.508 177.300 -0.258 0.000 1.266 875 P CA -0.581 62.458 63.100 -0.101 0.000 0.807 875 P CB 1.052 32.718 31.700 -0.055 0.000 1.094 876 Y N -1.269 119.042 120.300 0.018 0.000 2.401 876 Y HA 0.332 4.913 4.550 0.051 0.000 0.330 876 Y C -0.255 175.672 175.900 0.045 0.000 1.071 876 Y CA -0.865 57.264 58.100 0.048 0.000 1.049 876 Y CB 2.110 40.572 38.460 0.004 0.000 1.239 876 Y HN 0.182 nan 8.280 nan 0.000 0.437 877 V N 4.639 124.673 119.914 0.200 0.000 2.398 877 V HA 0.886 5.037 4.120 0.051 0.000 0.286 877 V C -0.450 175.705 176.094 0.102 0.000 1.026 877 V CA -0.512 61.881 62.300 0.155 0.000 0.868 877 V CB 0.886 32.805 31.823 0.160 0.000 0.982 877 V HN 0.705 nan 8.190 nan 0.000 0.443 878 I N 2.769 123.396 120.570 0.094 0.000 3.279 878 I HA 0.932 5.132 4.170 0.051 0.000 0.315 878 I C -1.323 174.875 176.117 0.136 0.000 1.187 878 I CA -1.284 60.073 61.300 0.095 0.000 0.953 878 I CB 2.517 40.533 38.000 0.027 0.000 1.279 878 I HN 0.412 nan 8.210 nan 0.000 0.465 879 V N 2.066 122.108 119.914 0.214 0.000 2.525 879 V HA 0.473 4.624 4.120 0.051 0.000 0.299 879 V C -2.597 173.647 176.094 0.249 0.000 1.034 879 V CA -1.332 61.074 62.300 0.177 0.000 0.863 879 V CB 1.899 33.765 31.823 0.071 0.000 0.999 879 V HN 0.637 nan 8.190 nan 0.000 0.423 880 P HA 0.382 nan 4.420 nan 0.000 0.287 880 P C 0.162 177.349 177.300 -0.188 0.000 1.307 880 P CA -0.148 62.852 63.100 -0.166 0.000 0.777 880 P CB 1.488 33.175 31.700 -0.023 0.000 0.883 881 L N 2.090 123.143 121.223 -0.284 0.000 2.362 881 L HA 0.247 4.618 4.340 0.051 0.000 0.204 881 L C 1.326 178.096 176.870 -0.168 0.000 1.060 881 L CA 0.542 55.289 54.840 -0.155 0.000 0.827 881 L CB -0.264 41.735 42.059 -0.100 0.000 1.027 881 L HN 0.263 nan 8.230 nan 0.000 0.474 882 K N 1.439 121.684 120.400 -0.259 0.000 2.263 882 K HA 0.156 4.507 4.320 0.051 0.000 0.282 882 K C -0.105 176.384 176.600 -0.185 0.000 1.089 882 K CA -0.131 56.040 56.287 -0.194 0.000 0.907 882 K CB 1.001 33.383 32.500 -0.197 0.000 1.148 882 K HN -0.180 nan 8.250 nan 0.000 0.470 883 T N 2.550 117.027 114.554 -0.128 0.000 2.930 883 T HA 0.463 4.843 4.350 0.051 0.000 0.306 883 T C 0.585 175.229 174.700 -0.093 0.000 1.045 883 T CA 1.054 63.088 62.100 -0.110 0.000 1.134 883 T CB 0.500 69.312 68.868 -0.094 0.000 0.961 883 T HN 0.912 nan 8.240 nan 0.000 0.545 884 G N 3.275 112.024 108.800 -0.085 0.000 2.055 884 G HA2 0.068 4.058 3.960 0.051 0.000 0.160 884 G HA3 0.068 4.058 3.960 0.051 0.000 0.160 884 G C -1.255 173.606 174.900 -0.065 0.000 1.087 884 G CA -0.216 44.845 45.100 -0.065 0.000 1.269 884 G HN 1.017 nan 8.290 nan 0.000 0.461 885 L N 1.254 122.444 121.223 -0.055 0.000 2.372 885 L HA 0.829 5.200 4.340 0.051 0.000 0.274 885 L C -0.697 176.155 176.870 -0.030 0.000 0.988 885 L CA -0.500 54.314 54.840 -0.043 0.000 0.833 885 L CB 1.673 43.713 42.059 -0.032 0.000 1.236 885 L HN 0.617 nan 8.230 nan 0.000 0.410 886 Q N 3.090 122.887 119.800 -0.005 0.000 2.458 886 Q HA 0.529 4.900 4.340 0.051 0.000 0.282 886 Q C -1.156 174.929 176.000 0.140 0.000 1.106 886 Q CA -0.617 55.208 55.803 0.038 0.000 0.814 886 Q CB 2.426 31.129 28.738 -0.058 0.000 1.425 886 Q HN 0.611 nan 8.270 nan 0.000 0.437 887 E N 0.219 120.521 120.200 0.170 0.000 2.207 887 E HA 0.635 5.016 4.350 0.051 0.000 0.270 887 E C -1.250 175.419 176.600 0.115 0.000 0.927 887 E CA -0.731 55.739 56.400 0.116 0.000 0.799 887 E CB 1.945 31.681 29.700 0.060 0.000 1.172 887 E HN 0.194 nan 8.360 nan 0.000 0.404 888 V N 3.003 122.919 119.914 0.004 0.000 2.524 888 V HA 0.258 4.409 4.120 0.051 0.000 0.297 888 V C -0.827 175.209 176.094 -0.096 0.000 1.035 888 V CA -0.670 61.558 62.300 -0.119 0.000 0.867 888 V CB 1.738 33.426 31.823 -0.226 0.000 1.004 888 V HN 0.662 nan 8.190 nan 0.000 0.426 889 E N 3.490 123.624 120.200 -0.109 0.000 2.185 889 E HA 0.687 5.068 4.350 0.051 0.000 0.261 889 E C -1.333 175.193 176.600 -0.124 0.000 0.879 889 E CA -0.447 55.909 56.400 -0.073 0.000 0.756 889 E CB 2.246 31.925 29.700 -0.035 0.000 1.152 889 E HN 0.636 nan 8.360 nan 0.000 0.416 890 V N 2.168 122.016 119.914 -0.110 0.000 2.823 890 V HA 0.722 4.873 4.120 0.051 0.000 0.312 890 V C -1.283 174.797 176.094 -0.023 0.000 1.072 890 V CA -0.489 61.735 62.300 -0.127 0.000 0.937 890 V CB 1.873 33.559 31.823 -0.228 0.000 1.013 890 V HN 0.657 nan 8.190 nan 0.000 0.430 891 K N 2.777 123.180 120.400 0.005 0.000 2.439 891 K HA 0.966 5.317 4.320 0.051 0.000 0.260 891 K C -1.187 175.471 176.600 0.097 0.000 1.032 891 K CA -0.511 55.811 56.287 0.058 0.000 0.882 891 K CB 2.487 35.011 32.500 0.040 0.000 1.420 891 K HN 1.285 nan 8.250 nan 0.000 0.455 892 A N 0.377 123.283 122.820 0.143 0.000 2.577 892 A HA 0.762 5.112 4.320 0.051 0.000 0.297 892 A C -1.899 175.754 177.584 0.116 0.000 1.060 892 A CA -0.504 51.640 52.037 0.179 0.000 0.697 892 A CB 1.630 20.841 19.000 0.352 0.000 1.281 892 A HN 0.681 nan 8.150 nan 0.000 0.402 893 A N 0.418 123.237 122.820 -0.003 0.000 2.430 893 A HA 0.939 5.290 4.320 0.051 0.000 0.300 893 A C -0.194 177.289 177.584 -0.167 0.000 1.124 893 A CA -0.067 51.881 52.037 -0.149 0.000 0.766 893 A CB 1.316 20.207 19.000 -0.183 0.000 1.328 893 A HN 2.328 nan 8.150 nan 0.000 0.424 894 V N -1.722 118.047 119.914 -0.240 0.000 2.815 894 V HA 0.776 4.927 4.120 0.051 0.000 0.314 894 V C -0.816 175.302 176.094 0.039 0.000 1.064 894 V CA -0.953 61.287 62.300 -0.100 0.000 0.952 894 V CB 0.985 32.650 31.823 -0.264 0.000 1.020 894 V HN 0.735 nan 8.190 nan 0.000 0.439 895 Y N 1.875 122.160 120.300 -0.025 0.000 2.298 895 Y HA 0.437 5.017 4.550 0.051 0.000 0.329 895 Y C 1.514 177.485 175.900 0.117 0.000 1.293 895 Y CA 0.479 58.571 58.100 -0.013 0.000 1.388 895 Y CB 0.023 38.509 38.460 0.043 0.000 1.309 895 Y HN 0.899 nan 8.280 nan 0.000 0.544 896 H N 0.451 119.627 119.070 0.176 0.000 2.731 896 H HA -0.242 4.344 4.556 0.051 0.000 0.305 896 H C -0.337 174.951 175.328 -0.066 0.000 1.132 896 H CA 1.490 57.578 56.048 0.067 0.000 1.148 896 H CB -1.475 28.337 29.762 0.083 0.000 1.379 896 H HN 0.647 nan 8.280 nan 0.000 0.398 897 H N -1.713 117.419 119.070 0.103 0.000 2.883 897 H HA 0.226 4.813 4.556 0.051 0.000 0.277 897 H C -1.027 174.364 175.328 0.105 0.000 1.451 897 H CA -0.685 55.424 56.048 0.102 0.000 1.157 897 H CB 0.939 30.745 29.762 0.074 0.000 1.851 897 H HN 0.041 nan 8.280 nan 0.000 0.566 898 F N 3.085 123.128 119.950 0.155 0.000 2.453 898 F HA 0.416 4.974 4.527 0.051 0.000 0.358 898 F C -1.286 174.548 175.800 0.057 0.000 1.129 898 F CA -0.444 57.598 58.000 0.069 0.000 1.200 898 F CB 0.010 39.041 39.000 0.052 0.000 1.431 898 F HN 0.162 nan 8.300 nan 0.000 0.503 899 I N 3.428 123.892 120.570 -0.177 0.000 2.569 899 I HA 0.504 4.705 4.170 0.051 0.000 0.290 899 I C -0.661 175.270 176.117 -0.309 0.000 1.088 899 I CA -0.551 60.653 61.300 -0.161 0.000 1.047 899 I CB 1.552 39.444 38.000 -0.180 0.000 1.237 899 I HN 0.431 nan 8.210 nan 0.000 0.421 900 S N 3.319 118.955 115.700 -0.107 0.000 2.579 900 S HA 0.875 5.376 4.470 0.051 0.000 0.272 900 S C -1.390 173.367 174.600 0.262 0.000 1.141 900 S CA -0.691 57.502 58.200 -0.012 0.000 0.843 900 S CB 3.302 66.410 63.200 -0.153 0.000 1.122 900 S HN 0.651 nan 8.310 nan 0.000 0.468 901 D N -1.677 118.907 120.400 0.306 0.000 2.694 901 D HA 0.652 5.323 4.640 0.051 0.000 0.260 901 D C -1.036 175.377 176.300 0.187 0.000 1.250 901 D CA 0.175 54.341 54.000 0.276 0.000 0.763 901 D CB 1.770 42.762 40.800 0.321 0.000 1.311 901 D HN 1.091 nan 8.370 nan 0.000 0.420 902 G N 0.111 108.998 108.800 0.144 0.000 2.752 902 G HA2 0.521 4.512 3.960 0.051 0.000 0.298 902 G HA3 0.521 4.512 3.960 0.051 0.000 0.298 902 G C -1.682 173.294 174.900 0.126 0.000 1.434 902 G CA -0.470 44.696 45.100 0.110 0.000 1.004 902 G HN 0.406 nan 8.290 nan 0.000 0.560 903 V N 1.193 121.173 119.914 0.109 0.000 2.581 903 V HA 0.751 4.902 4.120 0.051 0.000 0.303 903 V C 0.374 176.538 176.094 0.116 0.000 1.041 903 V CA -0.930 61.461 62.300 0.152 0.000 0.907 903 V CB 1.988 33.856 31.823 0.075 0.000 0.994 903 V HN 0.825 nan 8.190 nan 0.000 0.442 904 R N 2.724 123.352 120.500 0.214 0.000 2.655 904 R HA 0.345 4.716 4.340 0.051 0.000 0.261 904 R C -0.095 176.337 176.300 0.219 0.000 1.624 904 R CA -0.344 55.847 56.100 0.151 0.000 1.655 904 R CB 0.384 30.752 30.300 0.112 0.000 1.356 904 R HN 0.728 nan 8.270 nan 0.000 0.684 905 K N 0.354 120.813 120.400 0.100 0.000 2.273 905 K HA 0.416 4.767 4.320 0.051 0.000 0.240 905 K C -0.403 176.225 176.600 0.046 0.000 1.056 905 K CA -0.250 56.066 56.287 0.047 0.000 0.910 905 K CB 1.027 33.460 32.500 -0.113 0.000 1.196 905 K HN 0.235 nan 8.250 nan 0.000 0.509 906 S N 0.122 115.842 115.700 0.034 0.000 2.556 906 S HA 0.516 5.017 4.470 0.051 0.000 0.271 906 S C -1.233 173.370 174.600 0.005 0.000 1.135 906 S CA -0.989 57.230 58.200 0.032 0.000 0.858 906 S CB 1.333 64.559 63.200 0.043 0.000 1.114 906 S HN 0.554 nan 8.310 nan 0.000 0.468 907 L N -0.979 120.254 121.223 0.017 0.000 2.359 907 L HA 0.751 5.121 4.340 0.051 0.000 0.256 907 L C -1.357 175.487 176.870 -0.044 0.000 1.026 907 L CA -1.110 53.714 54.840 -0.027 0.000 0.828 907 L CB 1.685 43.749 42.059 0.008 0.000 1.406 907 L HN 0.402 nan 8.230 nan 0.000 0.413 908 K N 1.705 122.017 120.400 -0.146 0.000 2.248 908 K HA 0.531 4.881 4.320 0.051 0.000 0.281 908 K C -0.959 175.588 176.600 -0.088 0.000 1.054 908 K CA -0.650 55.540 56.287 -0.162 0.000 0.903 908 K CB 2.005 34.307 32.500 -0.330 0.000 1.077 908 K HN 0.430 nan 8.250 nan 0.000 0.474 909 V N 3.592 123.463 119.914 -0.071 0.000 2.481 909 V HA 0.359 4.510 4.120 0.051 0.000 0.286 909 V C -0.021 176.027 176.094 -0.077 0.000 1.042 909 V CA -0.802 61.457 62.300 -0.068 0.000 0.928 909 V CB 1.505 33.260 31.823 -0.112 0.000 0.986 909 V HN 0.444 nan 8.190 nan 0.000 0.462 910 V N 5.549 125.419 119.914 -0.073 0.000 2.841 910 V HA 0.456 4.607 4.120 0.051 0.000 0.310 910 V C -2.468 173.538 176.094 -0.146 0.000 1.090 910 V CA -2.171 60.071 62.300 -0.097 0.000 0.930 910 V CB 2.731 34.523 31.823 -0.050 0.000 1.014 910 V HN 0.702 nan 8.190 nan 0.000 0.425 911 P HA -0.089 nan 4.420 nan 0.000 0.265 911 P C 0.400 177.569 177.300 -0.218 0.000 1.151 911 P CA 0.662 63.553 63.100 -0.347 0.000 0.755 911 P CB 0.530 31.696 31.700 -0.889 0.000 0.756 912 E N 2.070 122.196 120.200 -0.124 0.000 2.058 912 E HA -0.151 4.230 4.350 0.051 0.000 0.194 912 E C 1.808 178.395 176.600 -0.021 0.000 0.997 912 E CA 1.920 58.290 56.400 -0.050 0.000 0.801 912 E CB -0.643 29.042 29.700 -0.025 0.000 0.746 912 E HN 0.650 nan 8.360 nan 0.000 0.450 913 G N 0.162 108.955 108.800 -0.011 0.000 2.913 913 G HA2 0.299 4.290 3.960 0.051 0.000 0.145 913 G HA3 0.299 4.290 3.960 0.051 0.000 0.145 913 G C -0.086 174.875 174.900 0.101 0.000 1.801 913 G CA -0.032 45.096 45.100 0.048 0.000 1.033 913 G HN 0.229 nan 8.290 nan 0.000 0.495 914 I N -1.611 119.061 120.570 0.169 0.000 2.841 914 I HA 0.407 4.608 4.170 0.051 0.000 0.298 914 I C -0.696 175.391 176.117 -0.051 0.000 1.304 914 I CA -1.066 60.303 61.300 0.115 0.000 1.019 914 I CB 1.971 39.979 38.000 0.014 0.000 1.282 914 I HN 0.207 nan 8.210 nan 0.000 0.432 915 R N 6.823 127.243 120.500 -0.134 0.000 2.489 915 R HA 0.411 4.782 4.340 0.051 0.000 0.287 915 R C -0.950 175.131 176.300 -0.365 0.000 1.053 915 R CA 0.086 55.956 56.100 -0.384 0.000 1.036 915 R CB 0.543 30.747 30.300 -0.159 0.000 0.966 915 R HN 0.533 nan 8.270 nan 0.000 0.432 916 M N 2.463 121.752 119.600 -0.518 0.000 2.386 916 M HA 0.259 4.770 4.480 0.051 0.000 0.293 916 M C -0.987 175.218 176.300 -0.160 0.000 1.120 916 M CA -1.019 54.040 55.300 -0.403 0.000 0.909 916 M CB 2.307 34.440 32.600 -0.778 0.000 1.661 916 M HN 0.385 nan 8.290 nan 0.000 0.452 917 N N 2.270 120.959 118.700 -0.018 0.000 2.558 917 N HA 0.302 5.073 4.740 0.051 0.000 0.242 917 N C -0.900 174.679 175.510 0.114 0.000 0.979 917 N CA -0.590 52.498 53.050 0.065 0.000 0.931 917 N CB 1.483 39.985 38.487 0.025 0.000 1.122 917 N HN 0.406 nan 8.380 nan 0.000 0.508 918 K N 1.893 122.406 120.400 0.188 0.000 2.316 918 K HA 0.315 4.666 4.320 0.051 0.000 0.267 918 K C -0.616 176.020 176.600 0.060 0.000 1.025 918 K CA -0.356 56.006 56.287 0.125 0.000 0.896 918 K CB 0.619 33.199 32.500 0.134 0.000 1.124 918 K HN 0.382 nan 8.250 nan 0.000 0.451 919 T N 1.991 116.570 114.554 0.042 0.000 2.898 919 T HA 0.078 4.458 4.350 0.051 0.000 0.301 919 T C 1.099 175.807 174.700 0.013 0.000 1.049 919 T CA -0.551 61.566 62.100 0.028 0.000 1.095 919 T CB 1.355 70.237 68.868 0.023 0.000 0.976 919 T HN 0.415 nan 8.240 nan 0.000 0.539 920 V N -0.202 119.719 119.914 0.012 0.000 3.480 920 V HA 0.575 4.726 4.120 0.051 0.000 0.263 920 V C 0.459 176.544 176.094 -0.016 0.000 1.442 920 V CA 0.222 62.518 62.300 -0.006 0.000 1.053 920 V CB 0.178 31.997 31.823 -0.006 0.000 0.846 920 V HN 1.065 nan 8.190 nan 0.000 0.440 921 A N 0.464 123.281 122.820 -0.005 0.000 2.565 921 A HA 0.657 5.008 4.320 0.051 0.000 0.298 921 A C -1.182 176.402 177.584 -0.001 0.000 1.062 921 A CA -0.204 51.825 52.037 -0.014 0.000 0.723 921 A CB 1.694 20.671 19.000 -0.040 0.000 1.282 921 A HN 0.684 nan 8.150 nan 0.000 0.400 922 V N 0.894 120.806 119.914 -0.003 0.000 2.250 922 V HA 0.643 4.794 4.120 0.051 0.000 0.268 922 V C -0.192 175.901 176.094 -0.002 0.000 1.043 922 V CA -0.895 61.407 62.300 0.002 0.000 0.814 922 V CB 0.277 32.103 31.823 0.005 0.000 1.072 922 V HN 0.747 nan 8.190 nan 0.000 0.451 923 R N 1.667 122.165 120.500 -0.002 0.000 2.598 923 R HA 0.656 5.027 4.340 0.051 0.000 0.279 923 R C -0.270 176.030 176.300 0.000 0.000 0.984 923 R CA -0.540 55.557 56.100 -0.005 0.000 0.999 923 R CB 1.934 32.226 30.300 -0.013 0.000 1.114 923 R HN 0.565 nan 8.270 nan 0.000 0.493 924 T N 3.027 117.581 114.554 -0.000 0.000 2.770 924 T HA 0.352 4.732 4.350 0.051 0.000 0.297 924 T C 0.294 174.996 174.700 0.003 0.000 0.997 924 T CA -0.522 61.580 62.100 0.003 0.000 0.949 924 T CB 0.406 69.275 68.868 0.003 0.000 0.941 924 T HN 0.199 nan 8.240 nan 0.000 0.457 925 L N 4.238 125.464 121.223 0.005 0.000 2.369 925 L HA 0.393 4.764 4.340 0.051 0.000 0.279 925 L C 0.358 177.231 176.870 0.005 0.000 1.108 925 L CA 0.039 54.883 54.840 0.005 0.000 0.852 925 L CB 0.294 42.357 42.059 0.007 0.000 1.169 925 L HN 0.563 nan 8.230 nan 0.000 0.452 926 D N 4.362 124.764 120.400 0.004 0.000 2.634 926 D HA 0.198 4.869 4.640 0.051 0.000 0.236 926 D C -2.689 173.613 176.300 0.003 0.000 1.323 926 D CA -1.165 52.837 54.000 0.003 0.000 0.884 926 D CB 1.657 42.459 40.800 0.003 0.000 1.496 926 D HN 0.051 nan 8.370 nan 0.000 0.525 927 P HA 0.183 nan 4.420 nan 0.000 0.267 927 P C 0.193 177.496 177.300 0.005 0.000 1.205 927 P CA 0.500 63.602 63.100 0.004 0.000 0.765 927 P CB 0.936 32.638 31.700 0.004 0.000 0.828 928 E N 0.531 120.734 120.200 0.006 0.000 3.899 928 E HA -0.175 4.206 4.350 0.051 0.000 0.148 928 E C 0.217 176.821 176.600 0.008 0.000 0.913 928 E CA 0.276 56.681 56.400 0.008 0.000 2.802 928 E CB -1.285 28.421 29.700 0.010 0.000 1.466 928 E HN 0.418 nan 8.360 nan 0.000 0.652 929 R N 2.095 122.599 120.500 0.007 0.000 2.853 929 R HA 0.183 4.554 4.340 0.051 0.000 0.238 929 R C 0.216 176.519 176.300 0.005 0.000 1.538 929 R CA 0.569 56.673 56.100 0.007 0.000 1.166 929 R CB -0.626 29.678 30.300 0.006 0.000 1.201 929 R HN 0.300 nan 8.270 nan 0.000 0.606 930 L N 0.239 121.464 121.223 0.004 0.000 4.137 930 L HA -0.316 4.055 4.340 0.051 0.000 0.421 930 L C 1.490 178.360 176.870 0.001 0.000 1.162 930 L CA 0.778 55.619 54.840 0.002 0.000 0.978 930 L CB -1.195 40.864 42.059 0.001 0.000 1.957 930 L HN 0.746 nan 8.230 nan 0.000 0.978 931 G N -0.885 107.916 108.800 0.002 0.000 2.453 931 G HA2 0.114 4.104 3.960 0.051 0.000 0.215 931 G HA3 0.114 4.104 3.960 0.051 0.000 0.215 931 G C 0.788 175.689 174.900 0.002 0.000 1.147 931 G CA 0.707 45.808 45.100 0.002 0.000 0.802 931 G HN 0.374 nan 8.290 nan 0.000 0.535 932 R N -1.810 118.692 120.500 0.003 0.000 4.220 932 R HA -0.127 4.244 4.340 0.051 0.000 0.314 932 R C 1.025 177.328 176.300 0.005 0.000 0.248 932 R CA 0.555 56.657 56.100 0.004 0.000 1.043 932 R CB -1.010 29.292 30.300 0.002 0.000 1.220 932 R HN 0.412 nan 8.270 nan 0.000 0.440 933 E N 0.550 120.754 120.200 0.006 0.000 2.038 933 E HA -0.101 4.279 4.350 0.051 0.000 0.195 933 E C 1.041 177.644 176.600 0.006 0.000 1.000 933 E CA 1.494 57.898 56.400 0.006 0.000 0.803 933 E CB -0.157 29.546 29.700 0.006 0.000 0.750 933 E HN 0.557 nan 8.360 nan 0.000 0.448 934 G N 2.575 111.378 108.800 0.005 0.000 2.389 934 G HA2 0.271 4.262 3.960 0.051 0.000 0.287 934 G HA3 0.271 4.262 3.960 0.051 0.000 0.287 934 G C 0.467 175.369 174.900 0.004 0.000 1.126 934 G CA -0.329 44.774 45.100 0.004 0.000 1.073 934 G HN 0.104 nan 8.290 nan 0.000 0.429 935 V N 1.430 121.348 119.914 0.006 0.000 3.367 935 V HA 0.106 4.257 4.120 0.051 0.000 0.304 935 V C 0.765 176.862 176.094 0.005 0.000 1.131 935 V CA -0.641 61.663 62.300 0.006 0.000 1.233 935 V CB 0.444 32.272 31.823 0.008 0.000 1.021 935 V HN 0.755 nan 8.190 nan 0.000 0.497 936 Q N 2.272 122.075 119.800 0.005 0.000 2.255 936 Q HA 0.226 4.597 4.340 0.051 0.000 0.280 936 Q C -0.136 175.866 176.000 0.003 0.000 1.068 936 Q CA 0.172 55.976 55.803 0.003 0.000 0.911 936 Q CB 0.306 29.046 28.738 0.003 0.000 1.157 936 Q HN 0.892 nan 8.270 nan 0.000 0.380 937 K N 2.240 122.639 120.400 -0.001 0.000 2.345 937 K HA 0.601 4.952 4.320 0.051 0.000 0.255 937 K C -1.088 175.503 176.600 -0.014 0.000 0.934 937 K CA -0.986 55.299 56.287 -0.004 0.000 0.801 937 K CB 1.967 34.465 32.500 -0.004 0.000 1.137 937 K HN 0.217 nan 8.250 nan 0.000 0.424 938 E N 1.927 122.115 120.200 -0.020 0.000 2.265 938 E HA 0.256 4.637 4.350 0.051 0.000 0.262 938 E C -1.728 174.825 176.600 -0.078 0.000 0.889 938 E CA -0.507 55.867 56.400 -0.043 0.000 0.789 938 E CB 1.513 31.190 29.700 -0.037 0.000 1.221 938 E HN 0.574 nan 8.360 nan 0.000 0.414 939 D N 2.453 122.798 120.400 -0.092 0.000 2.253 939 D HA 0.545 5.215 4.640 0.051 0.000 0.249 939 D C -0.224 175.962 176.300 -0.191 0.000 1.049 939 D CA -0.078 53.842 54.000 -0.133 0.000 0.929 939 D CB 1.051 41.796 40.800 -0.093 0.000 1.176 939 D HN 0.309 nan 8.370 nan 0.000 0.437 940 I N 2.024 122.419 120.570 -0.293 0.000 2.590 940 I HA 0.198 4.398 4.170 0.051 0.000 0.283 940 I C -2.505 173.408 176.117 -0.341 0.000 1.154 940 I CA -1.724 59.356 61.300 -0.367 0.000 1.067 940 I CB 2.276 39.885 38.000 -0.652 0.000 1.243 940 I HN 0.144 nan 8.210 nan 0.000 0.451 941 P HA 0.426 nan 4.420 nan 0.000 0.278 941 P C -2.674 174.576 177.300 -0.084 0.000 1.258 941 P CA -1.564 61.464 63.100 -0.121 0.000 0.811 941 P CB -0.067 31.584 31.700 -0.082 0.000 1.063 942 P HA 0.075 nan 4.420 nan 0.000 0.270 942 P C -0.095 177.186 177.300 -0.032 0.000 1.221 942 P CA 0.159 63.251 63.100 -0.013 0.000 0.788 942 P CB 0.066 31.759 31.700 -0.013 0.000 0.904 943 A N 1.032 123.829 122.820 -0.039 0.000 2.267 943 A HA 0.127 4.478 4.320 0.051 0.000 0.271 943 A C 1.420 178.947 177.584 -0.096 0.000 1.131 943 A CA 0.190 52.180 52.037 -0.079 0.000 0.818 943 A CB -0.364 18.561 19.000 -0.126 0.000 1.118 943 A HN 0.588 nan 8.150 nan 0.000 0.501 944 D N -0.718 119.609 120.400 -0.121 0.000 2.119 944 D HA -0.125 4.546 4.640 0.051 0.000 0.199 944 D C 0.418 176.652 176.300 -0.110 0.000 0.987 944 D CA 1.868 55.807 54.000 -0.101 0.000 0.858 944 D CB -0.393 40.351 40.800 -0.092 0.000 1.008 944 D HN 0.561 nan 8.370 nan 0.000 0.450 945 L N -0.417 120.704 121.223 -0.170 0.000 3.721 945 L HA -0.191 4.180 4.340 0.051 0.000 0.625 945 L C 0.025 176.859 176.870 -0.060 0.000 1.186 945 L CA 0.418 55.170 54.840 -0.147 0.000 0.961 945 L CB -2.098 39.869 42.059 -0.153 0.000 1.418 945 L HN 0.358 nan 8.230 nan 0.000 0.838 946 S N -1.994 113.688 115.700 -0.030 0.000 2.993 946 S HA 0.128 4.629 4.470 0.051 0.000 0.257 946 S C 0.355 174.969 174.600 0.023 0.000 0.997 946 S CA 0.023 58.221 58.200 -0.003 0.000 1.191 946 S CB 0.432 63.628 63.200 -0.007 0.000 1.143 946 S HN 0.603 nan 8.310 nan 0.000 0.655 947 D N 0.901 121.330 120.400 0.048 0.000 3.008 947 D HA 0.157 4.828 4.640 0.051 0.000 0.312 947 D C -0.053 176.330 176.300 0.137 0.000 1.361 947 D CA -0.205 53.844 54.000 0.083 0.000 0.858 947 D CB 0.005 40.859 40.800 0.090 0.000 1.098 947 D HN 0.491 nan 8.370 nan 0.000 0.482 948 Q N 0.645 120.513 119.800 0.115 0.000 2.256 948 Q HA 0.328 4.698 4.340 0.051 0.000 0.254 948 Q C -0.687 175.377 176.000 0.107 0.000 0.916 948 Q CA -0.715 55.182 55.803 0.156 0.000 0.932 948 Q CB 1.904 30.709 28.738 0.111 0.000 1.207 948 Q HN 0.021 nan 8.270 nan 0.000 0.426 949 V N 7.548 127.533 119.914 0.119 0.000 2.415 949 V HA 0.169 4.320 4.120 0.051 0.000 0.267 949 V C -2.002 174.118 176.094 0.043 0.000 1.042 949 V CA -1.215 61.124 62.300 0.066 0.000 1.000 949 V CB 0.312 32.168 31.823 0.056 0.000 1.015 949 V HN 0.792 nan 8.190 nan 0.000 0.478 950 P HA 0.122 nan 4.420 nan 0.000 0.271 950 P C 0.267 177.558 177.300 -0.014 0.000 1.244 950 P CA -0.017 63.084 63.100 0.001 0.000 0.793 950 P CB 0.258 31.947 31.700 -0.019 0.000 0.984 951 D N -1.339 119.050 120.400 -0.018 0.000 2.723 951 D HA -0.143 4.527 4.640 0.051 0.000 0.236 951 D C -0.827 175.459 176.300 -0.024 0.000 1.138 951 D CA 1.528 55.513 54.000 -0.026 0.000 0.676 951 D CB -1.504 39.271 40.800 -0.043 0.000 1.069 951 D HN 0.550 nan 8.370 nan 0.000 0.430 952 T N -2.354 112.200 114.554 0.000 0.000 2.903 952 T HA 0.620 5.001 4.350 0.051 0.000 0.299 952 T C 0.114 174.848 174.700 0.057 0.000 1.093 952 T CA -0.628 61.477 62.100 0.009 0.000 1.002 952 T CB 1.700 70.565 68.868 -0.005 0.000 1.127 952 T HN 0.218 nan 8.240 nan 0.000 0.488 953 E N 1.306 121.546 120.200 0.067 0.000 2.438 953 E HA 0.410 4.791 4.350 0.051 0.000 0.261 953 E C -0.137 176.545 176.600 0.135 0.000 1.103 953 E CA -0.522 55.929 56.400 0.086 0.000 0.959 953 E CB 0.212 29.957 29.700 0.075 0.000 0.958 953 E HN 0.838 nan 8.360 nan 0.000 0.447 954 S N 0.128 115.889 115.700 0.102 0.000 2.488 954 S HA 0.152 4.653 4.470 0.051 0.000 0.151 954 S C -0.679 173.963 174.600 0.070 0.000 1.401 954 S CA -0.954 57.313 58.200 0.111 0.000 1.221 954 S CB 0.136 63.388 63.200 0.088 0.000 1.407 954 S HN 0.638 nan 8.310 nan 0.000 0.406 955 E N 2.025 122.267 120.200 0.069 0.000 2.344 955 E HA 0.291 4.672 4.350 0.051 0.000 0.270 955 E C -0.718 175.902 176.600 0.034 0.000 1.021 955 E CA 0.034 56.458 56.400 0.039 0.000 0.887 955 E CB 0.544 30.265 29.700 0.036 0.000 0.997 955 E HN 0.537 nan 8.360 nan 0.000 0.429 956 T N 5.808 120.367 114.554 0.007 0.000 2.770 956 T HA 0.325 4.706 4.350 0.051 0.000 0.297 956 T C -0.090 174.594 174.700 -0.028 0.000 0.997 956 T CA -0.704 61.398 62.100 0.003 0.000 0.949 956 T CB 0.869 69.734 68.868 -0.005 0.000 0.941 956 T HN 0.364 nan 8.240 nan 0.000 0.457 957 R N 2.670 123.169 120.500 -0.001 0.000 2.643 957 R HA 0.716 5.086 4.340 0.051 0.000 0.272 957 R C -0.821 175.475 176.300 -0.007 0.000 0.995 957 R CA -0.808 55.284 56.100 -0.014 0.000 1.032 957 R CB 1.046 31.350 30.300 0.005 0.000 1.126 957 R HN 0.598 nan 8.270 nan 0.000 0.505 958 I N 2.919 123.472 120.570 -0.027 0.000 2.582 958 I HA 0.343 4.543 4.170 0.051 0.000 0.292 958 I C -0.988 175.113 176.117 -0.026 0.000 1.066 958 I CA -0.910 60.385 61.300 -0.009 0.000 1.053 958 I CB 2.260 40.234 38.000 -0.042 0.000 1.241 958 I HN 0.366 nan 8.210 nan 0.000 0.421 959 L N 6.822 128.037 121.223 -0.013 0.000 2.353 959 L HA 0.499 4.870 4.340 0.051 0.000 0.270 959 L C -1.246 175.599 176.870 -0.041 0.000 1.003 959 L CA -0.217 54.605 54.840 -0.029 0.000 0.862 959 L CB 0.979 43.034 42.059 -0.007 0.000 1.221 959 L HN 0.517 nan 8.230 nan 0.000 0.430 960 L N 4.833 126.000 121.223 -0.093 0.000 2.261 960 L HA 0.440 4.811 4.340 0.051 0.000 0.289 960 L C -0.053 176.781 176.870 -0.060 0.000 1.059 960 L CA 0.045 54.827 54.840 -0.097 0.000 0.816 960 L CB 1.339 43.273 42.059 -0.208 0.000 1.191 960 L HN 0.668 nan 8.230 nan 0.000 0.431 961 Q N 1.715 121.502 119.800 -0.022 0.000 2.297 961 Q HA 0.624 4.994 4.340 0.051 0.000 0.269 961 Q C -0.404 175.606 176.000 0.016 0.000 1.051 961 Q CA -0.752 55.052 55.803 0.002 0.000 0.869 961 Q CB 2.365 31.110 28.738 0.011 0.000 1.346 961 Q HN 0.684 nan 8.270 nan 0.000 0.457 962 G N 0.961 109.783 108.800 0.037 0.000 2.660 962 G HA2 0.342 4.333 3.960 0.051 0.000 0.305 962 G HA3 0.342 4.333 3.960 0.051 0.000 0.305 962 G C -0.802 174.145 174.900 0.077 0.000 1.329 962 G CA -0.501 44.631 45.100 0.054 0.000 1.000 962 G HN 0.530 nan 8.290 nan 0.000 0.514 963 T N 2.225 116.815 114.554 0.060 0.000 2.747 963 T HA 0.615 4.996 4.350 0.051 0.000 0.301 963 T C -2.415 172.322 174.700 0.062 0.000 0.952 963 T CA -1.581 60.558 62.100 0.064 0.000 0.983 963 T CB 1.956 70.848 68.868 0.040 0.000 0.930 963 T HN 0.370 nan 8.240 nan 0.000 0.494 964 P HA 0.700 nan 4.420 nan 0.000 0.287 964 P C -1.197 176.095 177.300 -0.013 0.000 1.290 964 P CA -0.968 62.148 63.100 0.027 0.000 0.889 964 P CB 1.835 33.595 31.700 0.100 0.000 1.190 965 V N 0.243 120.096 119.914 -0.102 0.000 2.686 965 V HA 0.688 4.839 4.120 0.051 0.000 0.306 965 V C -0.208 175.768 176.094 -0.196 0.000 1.065 965 V CA -0.658 61.584 62.300 -0.096 0.000 0.894 965 V CB 1.717 33.512 31.823 -0.047 0.000 1.004 965 V HN 0.892 nan 8.190 nan 0.000 0.424 966 A N 3.627 126.333 122.820 -0.191 0.000 2.354 966 A HA 0.878 5.228 4.320 0.051 0.000 0.321 966 A C -0.567 176.931 177.584 -0.143 0.000 1.125 966 A CA -0.490 51.399 52.037 -0.247 0.000 0.799 966 A CB 1.528 20.356 19.000 -0.288 0.000 1.293 966 A HN 0.928 nan 8.150 nan 0.000 0.452 967 Q N -0.644 119.045 119.800 -0.185 0.000 3.227 967 Q HA -0.114 4.257 4.340 0.051 0.000 0.026 967 Q C -1.044 174.896 176.000 -0.101 0.000 1.706 967 Q CA 0.493 56.199 55.803 -0.161 0.000 0.243 967 Q CB -0.238 28.427 28.738 -0.121 0.000 0.584 967 Q HN 0.747 nan 8.270 nan 0.000 0.322 968 M N 2.844 122.387 119.600 -0.095 0.000 3.075 968 M HA 0.140 4.650 4.480 0.051 0.000 0.340 968 M C -0.749 175.569 176.300 0.030 0.000 1.329 968 M CA 0.157 55.455 55.300 -0.004 0.000 0.778 968 M CB 0.668 33.295 32.600 0.046 0.000 1.389 968 M HN 0.464 nan 8.290 nan 0.000 0.499 969 T N 1.742 116.273 114.554 -0.038 0.000 2.727 969 T HA 0.262 4.643 4.350 0.051 0.000 0.298 969 T C 0.357 175.122 174.700 0.109 0.000 0.942 969 T CA -0.251 61.821 62.100 -0.046 0.000 0.997 969 T CB 0.899 69.681 68.868 -0.144 0.000 0.917 969 T HN 0.214 nan 8.240 nan 0.000 0.487 970 E N 2.607 122.983 120.200 0.293 0.000 2.373 970 E HA 0.120 4.501 4.350 0.051 0.000 0.263 970 E C 0.249 176.948 176.600 0.166 0.000 1.073 970 E CA -0.523 55.999 56.400 0.203 0.000 0.894 970 E CB 0.640 30.444 29.700 0.174 0.000 1.008 970 E HN 0.532 nan 8.360 nan 0.000 0.420 971 D N 0.661 121.121 120.400 0.100 0.000 2.506 971 D HA 0.041 4.712 4.640 0.051 0.000 0.234 971 D C -0.122 176.239 176.300 0.103 0.000 1.143 971 D CA 0.431 54.480 54.000 0.083 0.000 0.871 971 D CB 0.691 41.528 40.800 0.062 0.000 1.190 971 D HN 0.401 nan 8.370 nan 0.000 0.459 972 A N 2.281 125.162 122.820 0.102 0.000 2.386 972 A HA 0.217 4.568 4.320 0.051 0.000 0.248 972 A C 0.189 177.866 177.584 0.154 0.000 1.082 972 A CA -0.525 51.600 52.037 0.147 0.000 0.789 972 A CB 0.596 19.657 19.000 0.101 0.000 1.025 972 A HN 0.381 nan 8.150 nan 0.000 0.490 973 V N 3.562 123.604 119.914 0.212 0.000 2.479 973 V HA 0.017 4.167 4.120 0.051 0.000 0.281 973 V C 0.590 176.808 176.094 0.207 0.000 1.031 973 V CA -0.171 62.225 62.300 0.161 0.000 1.038 973 V CB 0.385 32.249 31.823 0.068 0.000 0.981 973 V HN 0.912 nan 8.190 nan 0.000 0.478 974 D N 3.420 123.931 120.400 0.186 0.000 2.390 974 D HA 0.094 4.765 4.640 0.051 0.000 0.236 974 D C 0.903 177.277 176.300 0.124 0.000 1.189 974 D CA 0.706 54.790 54.000 0.140 0.000 0.887 974 D CB 1.484 42.353 40.800 0.115 0.000 1.198 974 D HN 0.602 nan 8.370 nan 0.000 0.444 975 A N 2.142 125.018 122.820 0.092 0.000 1.930 975 A HA -0.110 4.241 4.320 0.051 0.000 0.215 975 A C 1.781 179.466 177.584 0.168 0.000 1.176 975 A CA 0.914 53.005 52.037 0.091 0.000 0.632 975 A CB -0.311 18.759 19.000 0.117 0.000 0.819 975 A HN 0.718 nan 8.150 nan 0.000 0.445 976 E N -0.469 119.798 120.200 0.112 0.000 2.510 976 E HA -0.169 4.212 4.350 0.051 0.000 0.202 976 E C 1.502 178.111 176.600 0.014 0.000 1.072 976 E CA 0.466 56.905 56.400 0.065 0.000 0.883 976 E CB 0.078 29.791 29.700 0.023 0.000 0.818 976 E HN 0.412 nan 8.360 nan 0.000 0.548 977 R N -0.772 119.722 120.500 -0.010 0.000 2.221 977 R HA 0.111 4.482 4.340 0.051 0.000 0.195 977 R C 1.552 177.743 176.300 -0.182 0.000 0.956 977 R CA 0.199 56.201 56.100 -0.164 0.000 1.064 977 R CB -0.073 30.056 30.300 -0.285 0.000 1.049 977 R HN 0.183 nan 8.270 nan 0.000 0.534 978 L N 1.542 122.689 121.223 -0.127 0.000 2.715 978 L HA 0.250 4.621 4.340 0.051 0.000 0.238 978 L C 1.559 178.273 176.870 -0.259 0.000 1.212 978 L CA 0.046 54.697 54.840 -0.315 0.000 1.017 978 L CB -0.131 41.698 42.059 -0.383 0.000 1.269 978 L HN -0.017 nan 8.230 nan 0.000 0.452 979 K N 0.194 120.543 120.400 -0.085 0.000 2.217 979 K HA -0.110 4.241 4.320 0.051 0.000 0.202 979 K C 1.954 178.571 176.600 0.028 0.000 1.051 979 K CA 0.984 57.342 56.287 0.119 0.000 0.952 979 K CB 0.031 32.580 32.500 0.082 0.000 0.736 979 K HN 0.599 nan 8.250 nan 0.000 0.453 980 H N -0.191 118.905 119.070 0.044 0.000 2.548 980 H HA 0.053 4.638 4.556 0.048 0.000 0.268 980 H C 1.786 177.128 175.328 0.022 0.000 0.975 980 H CA 0.282 56.348 56.048 0.030 0.000 1.195 980 H CB -0.253 29.518 29.762 0.015 0.000 1.397 980 H HN 0.113 nan 8.280 nan 0.000 0.572 981 L N 1.146 122.243 121.223 -0.210 0.000 2.275 981 L HA -0.038 4.333 4.340 0.051 0.000 0.215 981 L C 0.832 177.677 176.870 -0.042 0.000 1.119 981 L CA 0.283 55.047 54.840 -0.126 0.000 0.790 981 L CB -0.165 41.717 42.059 -0.296 0.000 0.919 981 L HN 0.169 nan 8.230 nan 0.000 0.443 982 I N 2.028 122.596 120.570 -0.002 0.000 2.668 982 I HA -0.013 4.188 4.170 0.051 0.000 0.309 982 I C -0.008 176.154 176.117 0.076 0.000 1.195 982 I CA 0.460 61.795 61.300 0.059 0.000 1.919 982 I CB -0.709 37.370 38.000 0.131 0.000 1.551 982 I HN -0.166 nan 8.210 nan 0.000 0.908 983 V N 5.228 125.184 119.914 0.070 0.000 2.350 983 V HA 0.162 4.313 4.120 0.051 0.000 0.276 983 V C 0.701 176.842 176.094 0.079 0.000 1.028 983 V CA -0.627 61.721 62.300 0.081 0.000 0.860 983 V CB 1.422 33.297 31.823 0.087 0.000 0.990 983 V HN 0.631 nan 8.190 nan 0.000 0.453 984 T N 7.691 122.290 114.554 0.076 0.000 2.761 984 T HA 0.163 4.544 4.350 0.051 0.000 0.287 984 T C -2.298 172.446 174.700 0.073 0.000 0.931 984 T CA -0.728 61.416 62.100 0.072 0.000 1.164 984 T CB 0.131 69.038 68.868 0.065 0.000 0.876 984 T HN 0.446 nan 8.240 nan 0.000 0.534 985 P HA 0.196 nan 4.420 nan 0.000 0.263 985 P C -0.552 176.794 177.300 0.076 0.000 1.195 985 P CA -0.149 62.999 63.100 0.080 0.000 0.762 985 P CB 0.335 32.092 31.700 0.094 0.000 0.799 986 S N 1.844 117.585 115.700 0.068 0.000 2.614 986 S HA 0.831 5.332 4.470 0.051 0.000 0.275 986 S C -0.129 174.507 174.600 0.059 0.000 1.161 986 S CA -0.092 58.148 58.200 0.067 0.000 0.969 986 S CB 1.692 64.928 63.200 0.060 0.000 1.059 986 S HN 0.846 nan 8.310 nan 0.000 0.482 987 G N 1.218 110.066 108.800 0.080 0.000 2.295 987 G HA2 0.046 4.037 3.960 0.051 0.000 0.195 987 G HA3 0.046 4.037 3.960 0.051 0.000 0.195 987 G C 0.092 175.069 174.900 0.128 0.000 1.269 987 G CA -0.244 44.904 45.100 0.079 0.000 1.170 987 G HN 1.213 nan 8.290 nan 0.000 0.511 988 C N 0.001 119.332 119.300 0.053 0.000 2.310 988 C HA 0.594 5.085 4.460 0.051 0.000 0.279 988 C C 2.745 177.576 174.990 -0.264 0.000 2.750 988 C CA 1.125 60.168 59.018 0.043 0.000 1.792 988 C CB -0.358 27.256 27.740 -0.211 0.000 1.957 988 C HN 1.544 nan 8.230 nan 0.000 0.463 989 G N -0.745 107.469 108.800 -0.976 0.000 2.464 989 G HA2 -0.037 3.954 3.960 0.051 0.000 0.217 989 G HA3 -0.037 3.954 3.960 0.051 0.000 0.217 989 G C 1.244 175.842 174.900 -0.502 0.000 1.138 989 G CA 0.458 44.802 45.100 -1.260 0.000 0.793 989 G HN 0.834 nan 8.290 nan 0.000 0.539 990 E N -0.592 119.358 120.200 -0.416 0.000 2.489 990 E HA 0.084 4.465 4.350 0.051 0.000 0.204 990 E C 1.788 178.235 176.600 -0.256 0.000 1.006 990 E CA -0.080 56.165 56.400 -0.259 0.000 0.936 990 E CB 0.435 29.978 29.700 -0.262 0.000 1.002 990 E HN 0.406 nan 8.360 nan 0.000 0.488 991 Q N -0.003 119.632 119.800 -0.275 0.000 2.319 991 Q HA 0.081 4.451 4.340 0.051 0.000 0.202 991 Q C 1.293 177.261 176.000 -0.053 0.000 0.896 991 Q CA 0.066 55.757 55.803 -0.187 0.000 0.942 991 Q CB 0.322 28.941 28.738 -0.198 0.000 1.083 991 Q HN 0.031 nan 8.270 nan 0.000 0.510 992 N N 0.067 118.750 118.700 -0.028 0.000 2.368 992 N HA -0.013 4.757 4.740 0.051 0.000 0.178 992 N C 1.436 176.982 175.510 0.060 0.000 1.021 992 N CA 0.915 53.993 53.050 0.047 0.000 0.875 992 N CB 0.344 38.892 38.487 0.101 0.000 1.020 992 N HN 0.041 nan 8.380 nan 0.000 0.433 993 M N 0.170 119.792 119.600 0.036 0.000 2.349 993 M HA 0.091 4.602 4.480 0.051 0.000 0.266 993 M C 1.911 178.288 176.300 0.129 0.000 1.076 993 M CA 0.539 55.858 55.300 0.031 0.000 1.126 993 M CB -0.738 31.830 32.600 -0.053 0.000 1.392 993 M HN 0.205 nan 8.290 nan 0.000 0.440 994 I N 0.229 120.873 120.570 0.124 0.000 2.163 994 I HA -0.244 3.957 4.170 0.051 0.000 0.243 994 I C 2.213 178.403 176.117 0.123 0.000 1.085 994 I CA 1.700 63.078 61.300 0.130 0.000 1.347 994 I CB -0.533 37.491 38.000 0.040 0.000 1.044 994 I HN 0.338 nan 8.210 nan 0.000 0.408 995 G N -0.770 108.084 108.800 0.090 0.000 2.838 995 G HA2 -0.094 3.897 3.960 0.051 0.000 0.210 995 G HA3 -0.094 3.897 3.960 0.051 0.000 0.210 995 G C 1.525 176.486 174.900 0.102 0.000 1.153 995 G CA -0.054 45.101 45.100 0.091 0.000 0.778 995 G HN 0.250 nan 8.290 nan 0.000 0.539 996 M N 0.323 119.989 119.600 0.110 0.000 2.160 996 M HA 0.048 4.559 4.480 0.051 0.000 0.264 996 M C 2.558 178.940 176.300 0.137 0.000 1.073 996 M CA 1.440 56.810 55.300 0.117 0.000 1.142 996 M CB -0.244 32.427 32.600 0.118 0.000 1.358 996 M HN 0.105 nan 8.290 nan 0.000 0.422 997 T N 2.091 116.751 114.554 0.176 0.000 2.516 997 T HA -0.135 4.246 4.350 0.051 0.000 0.261 997 T C -0.977 173.839 174.700 0.194 0.000 1.130 997 T CA 2.265 64.528 62.100 0.272 0.000 1.193 997 T CB -1.714 67.397 68.868 0.404 0.000 0.864 997 T HN 0.364 nan 8.240 nan 0.000 0.410 998 P HA -0.060 nan 4.420 nan 0.000 0.221 998 P C 1.208 178.489 177.300 -0.032 0.000 1.145 998 P CA 1.325 64.452 63.100 0.045 0.000 0.795 998 P CB -0.369 31.365 31.700 0.057 0.000 0.775 999 T N -0.756 113.812 114.554 0.024 0.000 2.852 999 T HA -0.015 4.366 4.350 0.051 0.000 0.256 999 T C 2.036 176.752 174.700 0.026 0.000 1.038 999 T CA 0.691 62.800 62.100 0.014 0.000 1.141 999 T CB -1.019 67.884 68.868 0.058 0.000 0.869 999 T HN -0.116 nan 8.240 nan 0.000 0.439 1000 V N 1.528 121.484 119.914 0.070 0.000 2.255 1000 V HA -0.140 4.011 4.120 0.051 0.000 0.247 1000 V C 2.417 178.546 176.094 0.057 0.000 1.051 1000 V CA 1.438 63.790 62.300 0.086 0.000 1.018 1000 V CB -0.584 31.320 31.823 0.135 0.000 0.641 1000 V HN 0.332 nan 8.190 nan 0.000 0.445 1001 I N 0.299 120.884 120.570 0.024 0.000 2.286 1001 I HA -0.176 4.024 4.170 0.051 0.000 0.248 1001 I C 2.376 178.439 176.117 -0.089 0.000 1.115 1001 I CA 1.598 62.865 61.300 -0.054 0.000 1.392 1001 I CB -0.565 37.380 38.000 -0.093 0.000 1.065 1001 I HN 0.199 nan 8.210 nan 0.000 0.418 1002 A N -0.505 122.199 122.820 -0.193 0.000 1.877 1002 A HA -0.170 4.181 4.320 0.051 0.000 0.216 1002 A C 2.399 179.871 177.584 -0.186 0.000 1.186 1002 A CA 2.118 53.959 52.037 -0.326 0.000 0.620 1002 A CB -1.243 17.519 19.000 -0.397 0.000 0.822 1002 A HN 0.281 nan 8.150 nan 0.000 0.443 1003 V N -0.418 119.481 119.914 -0.024 0.000 2.231 1003 V HA -0.331 3.820 4.120 0.051 0.000 0.248 1003 V C 2.517 178.696 176.094 0.142 0.000 1.054 1003 V CA 2.664 65.057 62.300 0.155 0.000 1.015 1003 V CB -1.006 30.942 31.823 0.208 0.000 0.638 1003 V HN 0.853 nan 8.190 nan 0.000 0.444 1004 H N -1.760 117.333 119.070 0.039 0.000 2.456 1004 H HA -0.197 4.389 4.556 0.051 0.000 0.296 1004 H C 1.947 177.301 175.328 0.043 0.000 1.079 1004 H CA 1.871 57.940 56.048 0.034 0.000 1.322 1004 H CB -0.152 29.612 29.762 0.002 0.000 1.388 1004 H HN 0.565 nan 8.280 nan 0.000 0.538 1005 Y N -0.023 120.209 120.300 -0.113 0.000 2.243 1005 Y HA -0.031 4.550 4.550 0.051 0.000 0.293 1005 Y C 1.974 177.751 175.900 -0.205 0.000 1.124 1005 Y CA 1.228 59.240 58.100 -0.147 0.000 1.159 1005 Y CB -0.096 38.300 38.460 -0.106 0.000 1.008 1005 Y HN 0.184 nan 8.280 nan 0.000 0.527 1006 L N -0.078 121.042 121.223 -0.173 0.000 2.376 1006 L HA -0.144 4.226 4.340 0.051 0.000 0.219 1006 L C 1.559 178.369 176.870 -0.101 0.000 1.133 1006 L CA 0.817 55.419 54.840 -0.397 0.000 0.816 1006 L CB -0.410 41.025 42.059 -1.040 0.000 0.933 1006 L HN 0.223 nan 8.230 nan 0.000 0.449 1007 D N 0.145 120.580 120.400 0.059 0.000 2.097 1007 D HA -0.154 4.517 4.640 0.051 0.000 0.197 1007 D C 1.882 178.152 176.300 -0.049 0.000 0.984 1007 D CA 1.169 55.230 54.000 0.102 0.000 0.826 1007 D CB 0.080 40.895 40.800 0.024 0.000 0.973 1007 D HN 0.152 nan 8.370 nan 0.000 0.460 1008 E N -0.408 119.669 120.200 -0.204 0.000 2.474 1008 E HA 0.045 4.425 4.350 0.051 0.000 0.195 1008 E C 1.340 177.786 176.600 -0.256 0.000 1.039 1008 E CA 0.249 56.517 56.400 -0.219 0.000 0.881 1008 E CB 0.411 29.951 29.700 -0.266 0.000 0.970 1008 E HN 0.396 nan 8.360 nan 0.000 0.486 1009 T N -2.472 111.892 114.554 -0.316 0.000 3.022 1009 T HA 0.095 4.476 4.350 0.051 0.000 0.250 1009 T C 0.767 175.386 174.700 -0.135 0.000 1.060 1009 T CA -0.144 61.788 62.100 -0.279 0.000 1.013 1009 T CB 0.406 69.021 68.868 -0.422 0.000 0.982 1009 T HN -0.085 nan 8.240 nan 0.000 0.508 1010 E N 0.547 120.703 120.200 -0.072 0.000 3.370 1010 E HA -0.247 4.134 4.350 0.051 0.000 0.291 1010 E C 1.024 177.663 176.600 0.066 0.000 0.916 1010 E CA 0.829 57.255 56.400 0.043 0.000 0.981 1010 E CB -1.537 28.180 29.700 0.028 0.000 1.498 1010 E HN 0.699 nan 8.360 nan 0.000 0.452 1011 Q N -1.344 118.427 119.800 -0.050 0.000 2.364 1011 Q HA -0.161 4.210 4.340 0.051 0.000 0.207 1011 Q C 1.516 177.536 176.000 0.034 0.000 0.970 1011 Q CA 1.173 56.950 55.803 -0.044 0.000 0.888 1011 Q CB -0.205 28.466 28.738 -0.112 0.000 0.951 1011 Q HN 0.463 nan 8.270 nan 0.000 0.469 1012 W N 1.845 123.164 121.300 0.031 0.000 2.256 1012 W HA -0.308 4.380 4.660 0.047 0.000 0.311 1012 W C 1.867 178.455 176.519 0.114 0.000 1.258 1012 W CA 1.434 58.832 57.345 0.089 0.000 1.269 1012 W CB -0.437 29.056 29.460 0.055 0.000 1.134 1012 W HN 0.307 nan 8.180 nan 0.000 0.518 1013 E N -0.157 120.211 120.200 0.280 0.000 2.340 1013 E HA -0.369 4.012 4.350 0.051 0.000 0.246 1013 E C 2.059 178.751 176.600 0.153 0.000 1.077 1013 E CA 2.497 58.999 56.400 0.171 0.000 1.060 1013 E CB -0.298 29.470 29.700 0.114 0.000 0.935 1013 E HN 0.185 nan 8.360 nan 0.000 0.495 1014 K N -0.360 120.124 120.400 0.140 0.000 2.098 1014 K HA -0.046 4.305 4.320 0.051 0.000 0.203 1014 K C 1.979 178.657 176.600 0.129 0.000 1.051 1014 K CA 0.546 56.898 56.287 0.109 0.000 0.957 1014 K CB -0.822 31.731 32.500 0.088 0.000 0.738 1014 K HN 0.147 nan 8.250 nan 0.000 0.447 1015 F N 1.515 121.468 119.950 0.005 0.000 2.065 1015 F HA -0.140 4.415 4.527 0.047 0.000 0.298 1015 F C 0.931 176.764 175.800 0.055 0.000 1.112 1015 F CA 2.054 60.048 58.000 -0.010 0.000 1.212 1015 F CB -0.070 38.870 39.000 -0.101 0.000 0.975 1015 F HN 0.220 nan 8.300 nan 0.000 0.476 1016 G N -1.343 107.594 108.800 0.228 0.000 2.312 1016 G HA2 0.228 4.219 3.960 0.051 0.000 0.347 1016 G HA3 0.228 4.219 3.960 0.051 0.000 0.347 1016 G C -0.805 174.318 174.900 0.372 0.000 1.564 1016 G CA -0.313 44.882 45.100 0.157 0.000 0.981 1016 G HN 0.239 nan 8.290 nan 0.000 0.678 1017 L N 0.502 121.854 121.223 0.215 0.000 2.433 1017 L HA 0.311 4.682 4.340 0.051 0.000 0.200 1017 L C 2.542 179.441 176.870 0.048 0.000 1.059 1017 L CA 1.919 56.856 54.840 0.162 0.000 0.835 1017 L CB -0.258 41.853 42.059 0.086 0.000 1.076 1017 L HN 0.741 nan 8.230 nan 0.000 0.481 1018 E N -0.166 120.058 120.200 0.041 0.000 2.401 1018 E HA -0.192 4.189 4.350 0.051 0.000 0.199 1018 E C 1.404 178.029 176.600 0.041 0.000 1.023 1018 E CA 0.995 57.402 56.400 0.010 0.000 0.859 1018 E CB -0.671 29.034 29.700 0.008 0.000 0.780 1018 E HN 0.333 nan 8.360 nan 0.000 0.523 1019 K N 0.416 120.895 120.400 0.132 0.000 2.487 1019 K HA 0.098 4.448 4.320 0.051 0.000 0.192 1019 K C 1.852 178.634 176.600 0.305 0.000 1.027 1019 K CA 0.297 56.718 56.287 0.223 0.000 1.054 1019 K CB 0.071 32.736 32.500 0.274 0.000 0.824 1019 K HN 0.079 nan 8.250 nan 0.000 0.510 1020 R N 1.129 121.653 120.500 0.041 0.000 2.055 1020 R HA -0.115 4.256 4.340 0.051 0.000 0.226 1020 R C 2.204 178.443 176.300 -0.101 0.000 1.135 1020 R CA 1.230 57.172 56.100 -0.264 0.000 0.959 1020 R CB -0.001 29.695 30.300 -1.007 0.000 0.854 1020 R HN -0.041 nan 8.270 nan 0.000 0.431 1021 Q N -0.068 119.670 119.800 -0.105 0.000 2.234 1021 Q HA -0.048 4.322 4.340 0.051 0.000 0.206 1021 Q C 1.462 177.461 176.000 -0.001 0.000 0.980 1021 Q CA 1.834 57.603 55.803 -0.057 0.000 0.869 1021 Q CB -0.337 28.368 28.738 -0.056 0.000 0.912 1021 Q HN 0.548 nan 8.270 nan 0.000 0.436 1022 G N -1.597 107.223 108.800 0.032 0.000 2.920 1022 G HA2 0.202 4.193 3.960 0.051 0.000 0.208 1022 G HA3 0.202 4.193 3.960 0.051 0.000 0.208 1022 G C 0.841 175.795 174.900 0.090 0.000 1.159 1022 G CA 0.462 45.598 45.100 0.059 0.000 0.784 1022 G HN 0.381 nan 8.290 nan 0.000 0.535 1023 A N -0.487 122.396 122.820 0.106 0.000 2.390 1023 A HA 0.455 4.806 4.320 0.051 0.000 0.225 1023 A C 1.894 179.534 177.584 0.094 0.000 1.232 1023 A CA -0.051 52.065 52.037 0.132 0.000 0.964 1023 A CB 0.061 19.197 19.000 0.227 0.000 1.064 1023 A HN 0.200 nan 8.150 nan 0.000 0.525 1024 L N 0.626 121.880 121.223 0.052 0.000 2.005 1024 L HA -0.112 4.258 4.340 0.051 0.000 0.207 1024 L C 2.112 179.003 176.870 0.035 0.000 1.072 1024 L CA 2.220 57.077 54.840 0.028 0.000 0.744 1024 L CB -1.277 40.775 42.059 -0.010 0.000 0.895 1024 L HN 0.503 nan 8.230 nan 0.000 0.433 1025 E N -0.455 119.766 120.200 0.034 0.000 2.268 1025 E HA -0.156 4.224 4.350 0.051 0.000 0.195 1025 E C 2.057 178.689 176.600 0.053 0.000 0.995 1025 E CA 0.469 56.892 56.400 0.039 0.000 0.836 1025 E CB -0.022 29.696 29.700 0.030 0.000 0.763 1025 E HN 0.432 nan 8.360 nan 0.000 0.491 1026 L N 0.271 121.531 121.223 0.062 0.000 2.599 1026 L HA 0.074 4.445 4.340 0.051 0.000 0.230 1026 L C 1.694 178.612 176.870 0.080 0.000 1.141 1026 L CA 0.203 55.086 54.840 0.072 0.000 0.877 1026 L CB 0.018 42.124 42.059 0.079 0.000 1.009 1026 L HN 0.181 nan 8.230 nan 0.000 0.447 1027 I N -0.707 119.908 120.570 0.074 0.000 2.685 1027 I HA -0.125 4.076 4.170 0.051 0.000 0.251 1027 I C 2.486 178.655 176.117 0.088 0.000 1.102 1027 I CA 0.449 61.794 61.300 0.075 0.000 1.442 1027 I CB -0.048 37.982 38.000 0.051 0.000 1.194 1027 I HN 0.089 nan 8.210 nan 0.000 0.448 1028 K N 1.673 122.121 120.400 0.079 0.000 2.113 1028 K HA -0.279 4.072 4.320 0.051 0.000 0.208 1028 K C 2.132 178.809 176.600 0.127 0.000 1.047 1028 K CA 1.755 58.121 56.287 0.132 0.000 0.928 1028 K CB 0.024 32.579 32.500 0.092 0.000 0.716 1028 K HN 0.063 nan 8.250 nan 0.000 0.446 1029 K N -0.354 120.097 120.400 0.086 0.000 2.002 1029 K HA -0.124 4.226 4.320 0.051 0.000 0.209 1029 K C 2.069 178.720 176.600 0.085 0.000 1.048 1029 K CA 1.786 58.113 56.287 0.067 0.000 0.930 1029 K CB -0.492 32.045 32.500 0.061 0.000 0.714 1029 K HN 0.295 nan 8.250 nan 0.000 0.438 1030 G N -0.015 108.853 108.800 0.113 0.000 2.440 1030 G HA2 -0.327 3.664 3.960 0.051 0.000 0.218 1030 G HA3 -0.327 3.664 3.960 0.051 0.000 0.218 1030 G C 1.407 176.423 174.900 0.193 0.000 1.154 1030 G CA 1.176 46.365 45.100 0.148 0.000 0.767 1030 G HN 0.460 nan 8.290 nan 0.000 0.552 1031 Y N 2.210 122.518 120.300 0.013 0.000 2.097 1031 Y HA -0.158 4.423 4.550 0.051 0.000 0.282 1031 Y C 2.898 178.795 175.900 -0.005 0.000 1.152 1031 Y CA 2.220 60.262 58.100 -0.098 0.000 1.136 1031 Y CB -0.684 37.610 38.460 -0.275 0.000 0.975 1031 Y HN 0.191 nan 8.280 nan 0.000 0.498 1032 T N 0.483 114.896 114.554 -0.235 0.000 2.985 1032 T HA -0.100 4.281 4.350 0.051 0.000 0.266 1032 T C 1.656 176.286 174.700 -0.117 0.000 1.076 1032 T CA 1.208 63.122 62.100 -0.310 0.000 1.135 1032 T CB -0.135 68.611 68.868 -0.203 0.000 0.890 1032 T HN 0.451 nan 8.240 nan 0.000 0.480 1033 Q N 0.379 120.177 119.800 -0.003 0.000 2.297 1033 Q HA -0.016 4.355 4.340 0.051 0.000 0.204 1033 Q C 2.187 178.290 176.000 0.171 0.000 0.962 1033 Q CA 0.755 56.593 55.803 0.059 0.000 0.879 1033 Q CB -0.020 28.777 28.738 0.098 0.000 0.947 1033 Q HN 0.331 nan 8.270 nan 0.000 0.462 1034 Q N 0.402 120.339 119.800 0.229 0.000 2.376 1034 Q HA 0.068 4.439 4.340 0.051 0.000 0.206 1034 Q C 1.557 177.764 176.000 0.344 0.000 0.921 1034 Q CA 0.410 56.463 55.803 0.417 0.000 0.911 1034 Q CB 0.200 29.260 28.738 0.536 0.000 1.032 1034 Q HN 0.330 nan 8.270 nan 0.000 0.510 1035 L N -0.396 120.885 121.223 0.096 0.000 2.275 1035 L HA -0.056 4.314 4.340 0.051 0.000 0.215 1035 L C 1.942 178.766 176.870 -0.078 0.000 1.119 1035 L CA 0.856 55.687 54.840 -0.016 0.000 0.790 1035 L CB -0.351 41.575 42.059 -0.222 0.000 0.919 1035 L HN 0.304 nan 8.230 nan 0.000 0.443 1036 A N -0.265 122.483 122.820 -0.120 0.000 1.897 1036 A HA -0.170 4.181 4.320 0.051 0.000 0.215 1036 A C 1.771 179.175 177.584 -0.300 0.000 1.181 1036 A CA 1.160 53.048 52.037 -0.248 0.000 0.620 1036 A CB -0.655 18.126 19.000 -0.365 0.000 0.821 1036 A HN 0.344 nan 8.150 nan 0.000 0.443 1037 F N 0.017 119.893 119.950 -0.123 0.000 2.699 1037 F HA 0.069 4.617 4.527 0.034 0.000 0.298 1037 F C 1.381 176.924 175.800 -0.429 0.000 1.154 1037 F CA 0.422 58.305 58.000 -0.195 0.000 1.457 1037 F CB -0.248 38.667 39.000 -0.140 0.000 1.106 1037 F HN 0.092 nan 8.300 nan 0.000 0.585 1038 R N 2.434 122.720 120.500 -0.356 0.000 2.710 1038 R HA -0.048 4.323 4.340 0.051 0.000 0.301 1038 R C 0.242 176.331 176.300 -0.352 0.000 1.331 1038 R CA -0.028 55.720 56.100 -0.587 0.000 0.996 1038 R CB -0.378 29.744 30.300 -0.296 0.000 1.075 1038 R HN 0.356 nan 8.270 nan 0.000 0.500 1039 Q N 3.910 123.485 119.800 -0.375 0.000 2.469 1039 Q HA -0.075 4.296 4.340 0.051 0.000 0.279 1039 Q C -1.490 174.417 176.000 -0.154 0.000 1.097 1039 Q CA -1.044 54.632 55.803 -0.213 0.000 0.951 1039 Q CB 0.503 29.113 28.738 -0.214 0.000 1.297 1039 Q HN 0.456 nan 8.270 nan 0.000 0.465 1040 P HA -0.228 nan 4.420 nan 0.000 0.219 1040 P C 0.649 177.932 177.300 -0.027 0.000 1.158 1040 P CA 1.815 64.888 63.100 -0.045 0.000 0.895 1040 P CB 0.055 31.744 31.700 -0.018 0.000 0.792 1041 S N -2.385 113.294 115.700 -0.034 0.000 2.763 1041 S HA 0.168 4.669 4.470 0.051 0.000 0.237 1041 S C 0.408 174.992 174.600 -0.027 0.000 0.966 1041 S CA -0.057 58.158 58.200 0.025 0.000 1.017 1041 S CB -1.152 62.120 63.200 0.120 0.000 0.780 1041 S HN 0.023 nan 8.310 nan 0.000 0.476 1042 S N 0.403 116.060 115.700 -0.071 0.000 3.550 1042 S HA -0.090 4.411 4.470 0.051 0.000 0.372 1042 S C 0.380 174.899 174.600 -0.134 0.000 0.966 1042 S CA 0.543 58.711 58.200 -0.052 0.000 1.229 1042 S CB -2.039 61.214 63.200 0.088 0.000 0.917 1042 S HN 1.223 nan 8.310 nan 0.000 0.496 1043 A N 0.061 122.638 122.820 -0.405 0.000 2.443 1043 A HA 0.979 5.330 4.320 0.051 0.000 0.278 1043 A C -0.890 176.442 177.584 -0.420 0.000 1.252 1043 A CA -0.681 51.002 52.037 -0.589 0.000 0.816 1043 A CB 1.029 19.153 19.000 -1.459 0.000 1.369 1043 A HN 0.352 nan 8.150 nan 0.000 0.446 1044 F N -1.360 118.341 119.950 -0.416 0.000 2.588 1044 F HA 0.691 5.246 4.527 0.046 0.000 0.314 1044 F C 0.419 176.117 175.800 -0.169 0.000 1.134 1044 F CA 0.276 58.147 58.000 -0.215 0.000 0.961 1044 F CB 2.173 41.061 39.000 -0.187 0.000 1.239 1044 F HN 0.947 nan 8.300 nan 0.000 0.448 1045 A N 1.373 124.182 122.820 -0.019 0.000 2.701 1045 A HA 0.899 5.250 4.320 0.051 0.000 0.290 1045 A C 0.505 177.975 177.584 -0.191 0.000 1.267 1045 A CA 0.070 52.080 52.037 -0.045 0.000 0.709 1045 A CB 0.229 19.220 19.000 -0.016 0.000 1.352 1045 A HN 0.861 nan 8.150 nan 0.000 0.519 1046 A N -0.771 121.914 122.820 -0.225 0.000 1.840 1046 A HA 0.469 4.820 4.320 0.051 0.000 0.214 1046 A C 0.501 177.706 177.584 -0.632 0.000 1.198 1046 A CA 1.342 53.087 52.037 -0.487 0.000 0.608 1046 A CB -0.557 18.158 19.000 -0.476 0.000 0.839 1046 A HN 0.619 nan 8.150 nan 0.000 0.443 1047 F N -2.381 117.546 119.950 -0.037 0.000 2.585 1047 F HA 0.427 4.979 4.527 0.041 0.000 0.350 1047 F C 1.441 177.348 175.800 0.178 0.000 1.074 1047 F CA -0.417 57.676 58.000 0.155 0.000 1.032 1047 F CB 1.219 40.295 39.000 0.126 0.000 1.330 1047 F HN -0.016 nan 8.300 nan 0.000 0.495 1048 V N -1.585 118.593 119.914 0.440 0.000 2.788 1048 V HA -0.009 4.142 4.120 0.051 0.000 0.251 1048 V C 1.654 177.830 176.094 0.138 0.000 1.068 1048 V CA 1.154 63.575 62.300 0.203 0.000 1.090 1048 V CB -0.816 31.067 31.823 0.100 0.000 0.710 1048 V HN 0.719 nan 8.190 nan 0.000 0.467 1049 K N 0.720 121.215 120.400 0.159 0.000 2.097 1049 K HA -0.021 4.329 4.320 0.051 0.000 0.205 1049 K C 1.480 178.154 176.600 0.123 0.000 1.050 1049 K CA 0.585 56.930 56.287 0.097 0.000 0.938 1049 K CB -0.042 32.480 32.500 0.036 0.000 0.718 1049 K HN 0.447 nan 8.250 nan 0.000 0.442 1050 R N 0.981 121.594 120.500 0.188 0.000 2.641 1050 R HA 0.184 4.555 4.340 0.051 0.000 0.269 1050 R C -0.579 175.782 176.300 0.100 0.000 1.074 1050 R CA -0.185 56.005 56.100 0.149 0.000 1.133 1050 R CB 0.682 31.079 30.300 0.162 0.000 1.029 1050 R HN 0.041 nan 8.270 nan 0.000 0.488 1051 A N 4.725 127.601 122.820 0.092 0.000 2.425 1051 A HA 0.303 4.654 4.320 0.051 0.000 0.242 1051 A C -2.085 175.553 177.584 0.090 0.000 1.077 1051 A CA -1.282 50.813 52.037 0.096 0.000 0.781 1051 A CB -0.087 18.979 19.000 0.110 0.000 1.020 1051 A HN 0.603 nan 8.150 nan 0.000 0.494 1052 P HA 0.096 nan 4.420 nan 0.000 0.271 1052 P C -0.282 177.130 177.300 0.187 0.000 1.220 1052 P CA 0.094 63.214 63.100 0.034 0.000 0.768 1052 P CB 0.960 32.547 31.700 -0.188 0.000 0.848 1053 S N 2.271 118.060 115.700 0.148 0.000 2.474 1053 S HA 0.135 4.636 4.470 0.051 0.000 0.276 1053 S C 1.365 176.169 174.600 0.340 0.000 1.227 1053 S CA -0.274 58.061 58.200 0.226 0.000 1.050 1053 S CB -0.251 63.063 63.200 0.190 0.000 0.939 1053 S HN 0.405 nan 8.310 nan 0.000 0.490 1054 T N 4.622 119.419 114.554 0.406 0.000 2.759 1054 T HA -0.141 4.240 4.350 0.051 0.000 0.269 1054 T C 1.120 176.044 174.700 0.375 0.000 1.042 1054 T CA 1.549 63.922 62.100 0.455 0.000 1.140 1054 T CB -0.354 68.704 68.868 0.317 0.000 0.864 1054 T HN 0.885 nan 8.240 nan 0.000 0.455 1055 W N 1.057 122.423 121.300 0.111 0.000 2.409 1055 W HA 0.149 4.837 4.660 0.046 0.000 0.299 1055 W C 1.823 178.377 176.519 0.059 0.000 1.203 1055 W CA 0.108 57.462 57.345 0.015 0.000 1.298 1055 W CB -0.390 28.985 29.460 -0.141 0.000 1.127 1055 W HN 0.108 nan 8.180 nan 0.000 0.528 1056 L N 0.579 121.941 121.223 0.233 0.000 2.217 1056 L HA -0.056 4.315 4.340 0.051 0.000 0.211 1056 L C 2.192 178.962 176.870 -0.166 0.000 1.107 1056 L CA 2.336 57.215 54.840 0.064 0.000 0.783 1056 L CB -1.195 40.973 42.059 0.182 0.000 0.919 1056 L HN -0.099 nan 8.230 nan 0.000 0.442 1057 T N -0.132 114.394 114.554 -0.046 0.000 2.622 1057 T HA -0.197 4.183 4.350 0.051 0.000 0.266 1057 T C 1.910 176.461 174.700 -0.248 0.000 1.047 1057 T CA 1.602 63.626 62.100 -0.127 0.000 1.159 1057 T CB -0.638 68.334 68.868 0.174 0.000 0.863 1057 T HN 0.477 nan 8.240 nan 0.000 0.422 1058 A N 0.705 123.449 122.820 -0.126 0.000 1.873 1058 A HA -0.068 4.283 4.320 0.051 0.000 0.215 1058 A C 2.166 179.600 177.584 -0.251 0.000 1.186 1058 A CA 1.487 53.434 52.037 -0.149 0.000 0.616 1058 A CB -1.139 17.822 19.000 -0.064 0.000 0.823 1058 A HN 0.538 nan 8.150 nan 0.000 0.442 1059 Y N 0.753 120.738 120.300 -0.526 0.000 2.315 1059 Y HA -0.147 4.433 4.550 0.050 0.000 0.288 1059 Y C 2.212 177.753 175.900 -0.598 0.000 1.154 1059 Y CA 1.352 59.068 58.100 -0.640 0.000 1.229 1059 Y CB -0.397 37.379 38.460 -1.140 0.000 0.980 1059 Y HN 0.070 nan 8.280 nan 0.000 0.540 1060 V N -1.389 118.057 119.914 -0.780 0.000 2.407 1060 V HA -0.231 3.920 4.120 0.051 0.000 0.245 1060 V C 2.398 177.882 176.094 -1.016 0.000 1.041 1060 V CA 1.470 63.072 62.300 -1.165 0.000 1.040 1060 V CB -0.710 30.151 31.823 -1.604 0.000 0.671 1060 V HN 0.242 nan 8.190 nan 0.000 0.455 1061 V N 0.106 119.642 119.914 -0.630 0.000 2.392 1061 V HA -0.321 3.830 4.120 0.051 0.000 0.249 1061 V C 2.407 178.371 176.094 -0.216 0.000 1.059 1061 V CA 2.356 64.458 62.300 -0.329 0.000 1.051 1061 V CB -0.664 31.046 31.823 -0.188 0.000 0.658 1061 V HN 0.541 nan 8.190 nan 0.000 0.455 1062 K N -0.139 120.111 120.400 -0.249 0.000 2.001 1062 K HA -0.117 4.234 4.320 0.051 0.000 0.208 1062 K C 2.026 178.610 176.600 -0.028 0.000 1.048 1062 K CA 1.544 57.760 56.287 -0.119 0.000 0.932 1062 K CB -0.118 32.291 32.500 -0.153 0.000 0.715 1062 K HN 0.349 nan 8.250 nan 0.000 0.437 1063 V N 1.227 121.023 119.914 -0.197 0.000 2.626 1063 V HA -0.182 3.969 4.120 0.051 0.000 0.252 1063 V C 2.049 178.281 176.094 0.230 0.000 1.067 1063 V CA 1.290 63.597 62.300 0.012 0.000 1.081 1063 V CB -0.506 31.184 31.823 -0.222 0.000 0.686 1063 V HN 0.219 nan 8.190 nan 0.000 0.468 1064 F N 0.519 120.394 119.950 -0.125 0.000 2.179 1064 F HA 0.030 4.584 4.527 0.046 0.000 0.292 1064 F C 2.674 178.411 175.800 -0.105 0.000 1.089 1064 F CA 0.824 58.749 58.000 -0.126 0.000 1.295 1064 F CB -1.373 37.551 39.000 -0.126 0.000 1.041 1064 F HN 0.060 nan 8.300 nan 0.000 0.487 1065 S N 0.910 116.680 115.700 0.117 0.000 2.374 1065 S HA -0.220 4.280 4.470 0.051 0.000 0.227 1065 S C 2.196 176.799 174.600 0.005 0.000 1.037 1065 S CA 1.435 59.661 58.200 0.043 0.000 1.024 1065 S CB -0.795 62.416 63.200 0.018 0.000 0.861 1065 S HN 0.420 nan 8.310 nan 0.000 0.456 1066 L N 0.940 122.158 121.223 -0.009 0.000 2.201 1066 L HA 0.075 4.445 4.340 0.051 0.000 0.212 1066 L C 1.788 178.610 176.870 -0.080 0.000 1.105 1066 L CA 1.370 56.141 54.840 -0.115 0.000 0.775 1066 L CB -0.338 41.600 42.059 -0.201 0.000 0.913 1066 L HN 0.263 nan 8.230 nan 0.000 0.440 1067 A N -0.899 121.905 122.820 -0.027 0.000 2.370 1067 A HA 0.206 4.557 4.320 0.051 0.000 0.238 1067 A C 1.931 179.462 177.584 -0.089 0.000 1.289 1067 A CA 0.521 52.531 52.037 -0.045 0.000 0.885 1067 A CB -0.831 18.131 19.000 -0.062 0.000 0.961 1067 A HN 0.417 nan 8.150 nan 0.000 0.499 1068 V N -1.355 118.523 119.914 -0.059 0.000 2.287 1068 V HA -0.335 3.816 4.120 0.051 0.000 0.248 1068 V C 1.777 177.840 176.094 -0.052 0.000 1.053 1068 V CA 2.394 64.656 62.300 -0.063 0.000 1.027 1068 V CB -1.276 30.532 31.823 -0.026 0.000 0.646 1068 V HN 0.644 nan 8.190 nan 0.000 0.447 1069 N N 0.874 119.562 118.700 -0.019 0.000 2.028 1069 N HA -0.106 4.665 4.740 0.051 0.000 0.194 1069 N C 1.945 177.441 175.510 -0.023 0.000 1.050 1069 N CA 2.049 55.096 53.050 -0.005 0.000 0.848 1069 N CB -0.339 38.168 38.487 0.033 0.000 1.038 1069 N HN 0.463 nan 8.380 nan 0.000 0.423 1070 L N 0.960 122.174 121.223 -0.015 0.000 2.064 1070 L HA -0.152 4.219 4.340 0.051 0.000 0.216 1070 L C 1.325 178.164 176.870 -0.051 0.000 1.077 1070 L CA 1.246 56.074 54.840 -0.019 0.000 0.766 1070 L CB -0.805 41.252 42.059 -0.004 0.000 0.890 1070 L HN 0.361 nan 8.230 nan 0.000 0.435 1071 I N -5.292 115.221 120.570 -0.094 0.000 3.352 1071 I HA 0.604 4.805 4.170 0.051 0.000 0.316 1071 I C -0.400 175.638 176.117 -0.131 0.000 1.214 1071 I CA -1.271 59.966 61.300 -0.105 0.000 0.934 1071 I CB 1.766 39.694 38.000 -0.120 0.000 1.310 1071 I HN -0.280 nan 8.210 nan 0.000 0.475 1072 A N 3.173 125.935 122.820 -0.097 0.000 2.544 1072 A HA 0.471 4.822 4.320 0.051 0.000 0.301 1072 A C -0.043 177.451 177.584 -0.151 0.000 1.368 1072 A CA -0.092 51.898 52.037 -0.078 0.000 1.045 1072 A CB -0.903 18.090 19.000 -0.012 0.000 1.129 1072 A HN 0.446 nan 8.150 nan 0.000 0.540 1073 I N 1.680 122.103 120.570 -0.244 0.000 2.472 1073 I HA 0.125 4.326 4.170 0.051 0.000 0.290 1073 I C 0.327 176.417 176.117 -0.045 0.000 1.016 1073 I CA -0.249 60.849 61.300 -0.338 0.000 1.348 1073 I CB 1.146 38.926 38.000 -0.365 0.000 1.417 1073 I HN 0.570 nan 8.210 nan 0.000 0.521 1074 D N 2.600 123.064 120.400 0.107 0.000 2.304 1074 D HA 0.175 4.846 4.640 0.051 0.000 0.250 1074 D C 1.025 177.389 176.300 0.106 0.000 1.107 1074 D CA 0.076 54.152 54.000 0.127 0.000 0.885 1074 D CB 1.200 42.105 40.800 0.175 0.000 1.192 1074 D HN 0.422 nan 8.370 nan 0.000 0.436 1075 S N 2.136 117.882 115.700 0.076 0.000 2.368 1075 S HA -0.179 4.322 4.470 0.051 0.000 0.224 1075 S C 1.753 176.405 174.600 0.087 0.000 1.029 1075 S CA 0.645 58.886 58.200 0.069 0.000 0.988 1075 S CB -0.122 63.108 63.200 0.050 0.000 0.838 1075 S HN 0.590 nan 8.310 nan 0.000 0.462 1076 Q N 0.546 120.400 119.800 0.089 0.000 2.181 1076 Q HA -0.101 4.269 4.340 0.051 0.000 0.205 1076 Q C 2.327 178.404 176.000 0.128 0.000 0.980 1076 Q CA 1.234 57.093 55.803 0.095 0.000 0.862 1076 Q CB -0.429 28.358 28.738 0.081 0.000 0.905 1076 Q HN 0.444 nan 8.270 nan 0.000 0.429 1077 V N 0.595 120.608 119.914 0.165 0.000 2.256 1077 V HA -0.221 3.930 4.120 0.051 0.000 0.240 1077 V C 2.205 178.439 176.094 0.234 0.000 1.036 1077 V CA 1.295 63.737 62.300 0.237 0.000 1.008 1077 V CB -0.634 31.388 31.823 0.332 0.000 0.648 1077 V HN 0.253 nan 8.190 nan 0.000 0.453 1078 L N 0.354 121.707 121.223 0.218 0.000 2.131 1078 L HA -0.124 4.246 4.340 0.051 0.000 0.210 1078 L C 1.810 178.746 176.870 0.111 0.000 1.092 1078 L CA 1.900 56.845 54.840 0.176 0.000 0.759 1078 L CB -0.645 41.507 42.059 0.153 0.000 0.903 1078 L HN 0.473 nan 8.230 nan 0.000 0.435 1079 c N -0.265 118.399 118.600 0.107 0.000 2.525 1079 c HA 0.477 5.078 4.570 0.051 0.000 0.313 1079 c C 2.088 176.245 174.090 0.112 0.000 1.311 1079 c CA -0.091 56.293 56.329 0.092 0.000 1.725 1079 c CB -1.476 41.077 42.510 0.073 0.000 1.926 1079 c HN 0.663 nan 8.230 nan 0.000 0.595 1080 G N 0.361 109.244 108.800 0.139 0.000 2.720 1080 G HA2 0.262 4.253 3.960 0.051 0.000 0.204 1080 G HA3 0.262 4.253 3.960 0.051 0.000 0.204 1080 G C 1.661 176.682 174.900 0.202 0.000 1.113 1080 G CA 0.856 46.053 45.100 0.160 0.000 0.805 1080 G HN 0.483 nan 8.290 nan 0.000 0.536 1081 A N 0.562 123.500 122.820 0.196 0.000 1.969 1081 A HA 0.161 4.511 4.320 0.051 0.000 0.218 1081 A C 2.444 180.176 177.584 0.247 0.000 1.169 1081 A CA 1.656 53.819 52.037 0.209 0.000 0.635 1081 A CB -0.381 18.653 19.000 0.056 0.000 0.810 1081 A HN 0.230 nan 8.150 nan 0.000 0.445 1082 V N -0.024 119.993 119.914 0.172 0.000 2.488 1082 V HA -0.164 3.987 4.120 0.051 0.000 0.246 1082 V C 2.409 178.613 176.094 0.183 0.000 1.046 1082 V CA 2.008 64.404 62.300 0.159 0.000 1.053 1082 V CB -0.536 31.343 31.823 0.094 0.000 0.679 1082 V HN 0.601 nan 8.190 nan 0.000 0.458 1083 K N -1.182 119.325 120.400 0.178 0.000 2.283 1083 K HA -0.236 4.115 4.320 0.051 0.000 0.202 1083 K C 1.967 178.684 176.600 0.194 0.000 1.048 1083 K CA 1.487 57.867 56.287 0.155 0.000 0.948 1083 K CB -0.152 32.429 32.500 0.135 0.000 0.742 1083 K HN 0.626 nan 8.250 nan 0.000 0.458 1084 W N 1.251 122.599 121.300 0.081 0.000 2.409 1084 W HA -0.105 4.588 4.660 0.056 0.000 0.299 1084 W C 1.362 177.932 176.519 0.086 0.000 1.203 1084 W CA 1.001 58.395 57.345 0.082 0.000 1.298 1084 W CB -0.168 29.353 29.460 0.102 0.000 1.127 1084 W HN -0.062 nan 8.180 nan 0.000 0.528 1085 L N 0.135 121.449 121.223 0.151 0.000 2.005 1085 L HA -0.206 4.165 4.340 0.051 0.000 0.207 1085 L C 2.467 179.293 176.870 -0.072 0.000 1.072 1085 L CA 1.507 56.345 54.840 -0.002 0.000 0.744 1085 L CB -0.932 41.298 42.059 0.285 0.000 0.895 1085 L HN -0.054 nan 8.230 nan 0.000 0.433 1086 I N -0.486 120.104 120.570 0.033 0.000 2.226 1086 I HA -0.299 3.902 4.170 0.051 0.000 0.245 1086 I C 2.394 178.442 176.117 -0.115 0.000 1.100 1086 I CA 1.355 62.645 61.300 -0.017 0.000 1.374 1086 I CB -0.184 37.845 38.000 0.049 0.000 1.057 1086 I HN 0.230 nan 8.210 nan 0.000 0.413 1087 L N -0.191 120.966 121.223 -0.110 0.000 2.072 1087 L HA -0.118 4.253 4.340 0.051 0.000 0.205 1087 L C 2.559 179.313 176.870 -0.193 0.000 1.079 1087 L CA 1.167 55.935 54.840 -0.120 0.000 0.752 1087 L CB -0.279 41.741 42.059 -0.066 0.000 0.906 1087 L HN 0.228 nan 8.230 nan 0.000 0.436 1088 E N -0.272 119.735 120.200 -0.322 0.000 2.110 1088 E HA 0.032 4.413 4.350 0.051 0.000 0.193 1088 E C 0.478 176.853 176.600 -0.376 0.000 0.950 1088 E CA 0.473 56.647 56.400 -0.377 0.000 0.840 1088 E CB 0.393 29.748 29.700 -0.574 0.000 0.809 1088 E HN 0.128 nan 8.360 nan 0.000 0.465 1089 K N 1.966 122.091 120.400 -0.458 0.000 2.363 1089 K HA 0.305 4.655 4.320 0.051 0.000 0.240 1089 K C -0.277 176.087 176.600 -0.394 0.000 1.169 1089 K CA -0.029 56.042 56.287 -0.360 0.000 1.131 1089 K CB 0.900 33.199 32.500 -0.334 0.000 1.771 1089 K HN 0.114 nan 8.250 nan 0.000 0.380 1090 Q N 0.531 120.096 119.800 -0.392 0.000 2.527 1090 Q HA 0.284 4.655 4.340 0.051 0.000 0.280 1090 Q C -1.166 174.635 176.000 -0.331 0.000 0.977 1090 Q CA -0.610 54.891 55.803 -0.504 0.000 0.837 1090 Q CB 2.170 30.525 28.738 -0.639 0.000 1.454 1090 Q HN 0.198 nan 8.270 nan 0.000 0.387 1091 K N 1.284 121.487 120.400 -0.328 0.000 2.240 1091 K HA 0.390 4.741 4.320 0.051 0.000 0.237 1091 K C -1.792 174.687 176.600 -0.201 0.000 1.027 1091 K CA -1.749 54.398 56.287 -0.234 0.000 0.937 1091 K CB 0.562 32.920 32.500 -0.236 0.000 1.171 1091 K HN 0.339 nan 8.250 nan 0.000 0.479 1092 P HA -0.168 nan 4.420 nan 0.000 0.215 1092 P C 0.301 177.540 177.300 -0.101 0.000 1.157 1092 P CA 1.391 64.427 63.100 -0.106 0.000 0.863 1092 P CB 0.062 31.718 31.700 -0.074 0.000 0.787 1093 D N -1.592 118.740 120.400 -0.113 0.000 2.183 1093 D HA 0.042 4.713 4.640 0.051 0.000 0.203 1093 D C 1.464 177.686 176.300 -0.130 0.000 0.969 1093 D CA 1.416 55.367 54.000 -0.082 0.000 0.842 1093 D CB -0.948 39.832 40.800 -0.033 0.000 0.957 1093 D HN 0.310 nan 8.370 nan 0.000 0.484 1094 G N -0.815 107.829 108.800 -0.259 0.000 2.174 1094 G HA2 -0.122 3.869 3.960 0.051 0.000 0.140 1094 G HA3 -0.122 3.869 3.960 0.051 0.000 0.140 1094 G C -0.171 174.500 174.900 -0.383 0.000 1.031 1094 G CA -0.103 44.834 45.100 -0.272 0.000 0.728 1094 G HN 0.288 nan 8.290 nan 0.000 0.496 1095 V N 1.302 120.908 119.914 -0.513 0.000 2.572 1095 V HA 0.426 4.576 4.120 0.051 0.000 0.291 1095 V C 0.441 176.360 176.094 -0.291 0.000 1.039 1095 V CA 0.226 62.279 62.300 -0.411 0.000 1.055 1095 V CB 0.591 32.130 31.823 -0.474 0.000 0.969 1095 V HN 0.234 nan 8.190 nan 0.000 0.482 1096 F N 3.978 123.875 119.950 -0.088 0.000 2.351 1096 F HA 0.339 4.897 4.527 0.051 0.000 0.362 1096 F C 0.715 176.513 175.800 -0.002 0.000 1.131 1096 F CA -0.023 57.958 58.000 -0.031 0.000 1.187 1096 F CB 0.448 39.464 39.000 0.027 0.000 1.434 1096 F HN 0.519 nan 8.300 nan 0.000 0.553 1097 Q N 1.738 121.569 119.800 0.053 0.000 2.368 1097 Q HA 0.111 4.481 4.340 0.051 0.000 0.237 1097 Q C -0.326 175.727 176.000 0.088 0.000 0.987 1097 Q CA -0.477 55.353 55.803 0.046 0.000 0.896 1097 Q CB 0.979 29.706 28.738 -0.019 0.000 1.241 1097 Q HN 0.503 nan 8.270 nan 0.000 0.485 1098 E N 1.732 121.979 120.200 0.079 0.000 2.042 1098 E HA 0.071 4.452 4.350 0.051 0.000 0.260 1098 E C -0.698 175.947 176.600 0.075 0.000 0.975 1098 E CA -0.151 56.306 56.400 0.095 0.000 0.799 1098 E CB 0.404 30.140 29.700 0.060 0.000 1.131 1098 E HN 0.525 nan 8.360 nan 0.000 0.423 1099 D N 2.854 123.313 120.400 0.097 0.000 2.269 1099 D HA -0.014 4.657 4.640 0.051 0.000 0.208 1099 D C -0.079 176.274 176.300 0.089 0.000 0.963 1099 D CA 0.743 54.793 54.000 0.084 0.000 0.864 1099 D CB 0.334 41.193 40.800 0.099 0.000 0.936 1099 D HN 0.374 nan 8.370 nan 0.000 0.505 1100 A N 1.289 124.174 122.820 0.108 0.000 2.586 1100 A HA 0.480 4.831 4.320 0.051 0.000 0.320 1100 A C -2.586 175.030 177.584 0.055 0.000 1.281 1100 A CA -1.348 50.742 52.037 0.088 0.000 0.775 1100 A CB 0.887 19.956 19.000 0.115 0.000 1.122 1100 A HN -0.187 nan 8.150 nan 0.000 0.470 1101 P HA 0.191 nan 4.420 nan 0.000 0.264 1101 P C 0.578 177.862 177.300 -0.027 0.000 1.229 1101 P CA 0.102 63.188 63.100 -0.022 0.000 0.780 1101 P CB 0.532 32.217 31.700 -0.026 0.000 0.808 1102 V N 2.273 122.154 119.914 -0.055 0.000 3.287 1102 V HA 0.072 4.223 4.120 0.051 0.000 0.306 1102 V C 1.400 177.472 176.094 -0.038 0.000 1.103 1102 V CA 0.173 62.448 62.300 -0.042 0.000 1.159 1102 V CB 0.038 31.822 31.823 -0.066 0.000 1.036 1102 V HN 0.402 nan 8.190 nan 0.000 0.487 1103 I N 0.322 120.898 120.570 0.010 0.000 2.703 1103 I HA 0.042 4.243 4.170 0.051 0.000 0.259 1103 I C 1.110 177.222 176.117 -0.007 0.000 1.151 1103 I CA 0.685 62.003 61.300 0.029 0.000 1.470 1103 I CB -0.235 37.820 38.000 0.091 0.000 1.112 1103 I HN 0.716 nan 8.210 nan 0.000 0.437 1104 H N 2.084 121.097 119.070 -0.095 0.000 2.482 1104 H HA 0.237 4.826 4.556 0.056 0.000 0.231 1104 H C 0.577 175.818 175.328 -0.144 0.000 1.612 1104 H CA -0.254 55.736 56.048 -0.097 0.000 1.279 1104 H CB 0.792 30.495 29.762 -0.099 0.000 1.562 1104 H HN 0.311 nan 8.280 nan 0.000 0.553 1105 Q N 1.205 120.946 119.800 -0.098 0.000 2.046 1105 Q HA -0.133 4.238 4.340 0.051 0.000 0.200 1105 Q C 1.874 177.771 176.000 -0.172 0.000 0.975 1105 Q CA 0.895 56.577 55.803 -0.203 0.000 0.836 1105 Q CB 0.205 28.832 28.738 -0.184 0.000 0.896 1105 Q HN 0.729 nan 8.270 nan 0.000 0.428 1106 E N 1.218 121.387 120.200 -0.051 0.000 2.312 1106 E HA -0.273 4.107 4.350 0.051 0.000 0.209 1106 E C 1.879 178.496 176.600 0.029 0.000 1.047 1106 E CA 1.785 58.211 56.400 0.045 0.000 0.840 1106 E CB -0.886 28.907 29.700 0.156 0.000 0.738 1106 E HN 0.570 nan 8.360 nan 0.000 0.478 1107 M N 0.939 120.520 119.600 -0.032 0.000 2.296 1107 M HA -0.005 4.506 4.480 0.051 0.000 0.265 1107 M C 2.461 178.711 176.300 -0.084 0.000 1.064 1107 M CA 1.635 56.933 55.300 -0.003 0.000 1.109 1107 M CB -0.653 31.973 32.600 0.044 0.000 1.396 1107 M HN 0.196 nan 8.290 nan 0.000 0.430 1108 I N -1.721 118.639 120.570 -0.350 0.000 3.428 1108 I HA 0.353 4.553 4.170 0.051 0.000 0.286 1108 I C 1.256 177.226 176.117 -0.245 0.000 1.287 1108 I CA 0.463 61.409 61.300 -0.591 0.000 1.396 1108 I CB -0.920 36.360 38.000 -1.201 0.000 1.062 1108 I HN 0.536 nan 8.210 nan 0.000 0.471 1109 G N 1.926 110.657 108.800 -0.115 0.000 2.565 1109 G HA2 -0.382 3.609 3.960 0.051 0.000 0.295 1109 G HA3 -0.382 3.609 3.960 0.051 0.000 0.295 1109 G C 0.914 175.374 174.900 -0.733 0.000 1.165 1109 G CA 0.294 45.358 45.100 -0.060 0.000 0.977 1109 G HN 0.568 nan 8.290 nan 0.000 0.546 1110 G N -0.514 107.783 108.800 -0.838 0.000 2.498 1110 G HA2 0.187 4.178 3.960 0.051 0.000 0.219 1110 G HA3 0.187 4.178 3.960 0.051 0.000 0.219 1110 G C 1.647 175.923 174.900 -1.041 0.000 1.119 1110 G CA 1.487 45.671 45.100 -1.528 0.000 0.766 1110 G HN 0.668 nan 8.290 nan 0.000 0.552 1111 L N 0.074 120.932 121.223 -0.608 0.000 2.549 1111 L HA 0.167 4.537 4.340 0.051 0.000 0.229 1111 L C 2.565 179.196 176.870 -0.399 0.000 1.158 1111 L CA 0.731 55.327 54.840 -0.408 0.000 0.842 1111 L CB -0.445 41.367 42.059 -0.411 0.000 0.952 1111 L HN 0.224 nan 8.230 nan 0.000 0.452 1112 R N -0.315 119.909 120.500 -0.460 0.000 2.148 1112 R HA -0.106 4.265 4.340 0.051 0.000 0.227 1112 R C 1.069 177.245 176.300 -0.208 0.000 1.103 1112 R CA 0.349 56.270 56.100 -0.300 0.000 0.983 1112 R CB -0.005 30.167 30.300 -0.214 0.000 0.874 1112 R HN 0.302 nan 8.270 nan 0.000 0.451 1113 N N 0.029 118.590 118.700 -0.232 0.000 2.444 1113 N HA -0.071 4.700 4.740 0.051 0.000 0.255 1113 N C 0.154 175.602 175.510 -0.104 0.000 1.255 1113 N CA 0.138 53.109 53.050 -0.132 0.000 0.933 1113 N CB 0.844 39.259 38.487 -0.121 0.000 1.143 1113 N HN 0.064 nan 8.380 nan 0.000 0.453 1114 N N 0.940 119.603 118.700 -0.062 0.000 2.405 1114 N HA 0.045 4.816 4.740 0.051 0.000 0.175 1114 N C -0.713 174.783 175.510 -0.024 0.000 1.051 1114 N CA 0.276 53.300 53.050 -0.043 0.000 0.899 1114 N CB 0.016 38.484 38.487 -0.031 0.000 1.000 1114 N HN 0.542 nan 8.380 nan 0.000 0.451 1115 N N 1.586 120.274 118.700 -0.019 0.000 2.529 1115 N HA 0.020 4.790 4.740 0.051 0.000 0.278 1115 N C -0.242 175.276 175.510 0.013 0.000 1.146 1115 N CA 0.107 53.156 53.050 -0.001 0.000 0.980 1115 N CB 0.838 39.325 38.487 -0.000 0.000 1.124 1115 N HN 0.127 nan 8.380 nan 0.000 0.458 1116 E N -0.298 119.922 120.200 0.033 0.000 2.883 1116 E HA -0.300 4.081 4.350 0.051 0.000 0.271 1116 E C 0.861 177.511 176.600 0.083 0.000 1.049 1116 E CA 0.745 57.182 56.400 0.061 0.000 0.817 1116 E CB -0.973 28.759 29.700 0.054 0.000 1.407 1116 E HN 0.714 nan 8.360 nan 0.000 0.434 1117 K N 0.223 120.658 120.400 0.058 0.000 2.103 1117 K HA -0.210 4.141 4.320 0.051 0.000 0.207 1117 K C 1.114 177.780 176.600 0.110 0.000 1.048 1117 K CA 1.851 58.171 56.287 0.056 0.000 0.930 1117 K CB 0.049 32.557 32.500 0.013 0.000 0.716 1117 K HN 0.038 nan 8.250 nan 0.000 0.444 1118 D N 0.601 121.082 120.400 0.134 0.000 2.178 1118 D HA -0.096 4.575 4.640 0.051 0.000 0.202 1118 D C 2.013 178.510 176.300 0.329 0.000 0.974 1118 D CA 1.079 55.191 54.000 0.188 0.000 0.841 1118 D CB -0.011 40.902 40.800 0.188 0.000 0.953 1118 D HN 0.248 nan 8.370 nan 0.000 0.478 1119 M N 0.379 120.165 119.600 0.311 0.000 2.115 1119 M HA 0.049 4.560 4.480 0.051 0.000 0.261 1119 M C 2.286 178.736 176.300 0.250 0.000 1.079 1119 M CA 0.730 56.218 55.300 0.314 0.000 1.143 1119 M CB -0.848 31.825 32.600 0.123 0.000 1.332 1119 M HN -0.055 nan 8.290 nan 0.000 0.421 1120 A N -0.344 122.598 122.820 0.202 0.000 2.067 1120 A HA -0.097 4.254 4.320 0.051 0.000 0.219 1120 A C 2.087 179.820 177.584 0.248 0.000 1.158 1120 A CA 1.034 53.200 52.037 0.214 0.000 0.661 1120 A CB -0.619 18.558 19.000 0.294 0.000 0.801 1120 A HN 0.414 nan 8.150 nan 0.000 0.452 1121 L N -1.105 120.257 121.223 0.231 0.000 2.307 1121 L HA 0.043 4.414 4.340 0.051 0.000 0.211 1121 L C 2.316 179.342 176.870 0.260 0.000 1.099 1121 L CA 2.084 57.074 54.840 0.250 0.000 0.816 1121 L CB -0.577 41.593 42.059 0.184 0.000 0.952 1121 L HN 0.283 nan 8.230 nan 0.000 0.455 1122 T N -0.223 114.497 114.554 0.275 0.000 2.746 1122 T HA -0.139 4.242 4.350 0.051 0.000 0.267 1122 T C 1.854 176.633 174.700 0.132 0.000 1.039 1122 T CA 1.338 63.624 62.100 0.310 0.000 1.142 1122 T CB -0.326 68.798 68.868 0.426 0.000 0.866 1122 T HN 0.482 nan 8.240 nan 0.000 0.444 1123 A N 0.235 123.138 122.820 0.138 0.000 1.968 1123 A HA 0.107 4.458 4.320 0.051 0.000 0.217 1123 A C 1.982 179.551 177.584 -0.024 0.000 1.169 1123 A CA 0.854 52.905 52.037 0.024 0.000 0.638 1123 A CB -0.798 18.204 19.000 0.005 0.000 0.812 1123 A HN 0.500 nan 8.150 nan 0.000 0.446 1124 F N 0.256 120.174 119.950 -0.052 0.000 2.128 1124 F HA -0.120 4.437 4.527 0.050 0.000 0.295 1124 F C 2.250 177.973 175.800 -0.129 0.000 1.100 1124 F CA 1.808 59.788 58.000 -0.033 0.000 1.260 1124 F CB 0.101 39.183 39.000 0.137 0.000 1.009 1124 F HN 0.041 nan 8.300 nan 0.000 0.476 1125 V N 0.140 120.101 119.914 0.078 0.000 2.453 1125 V HA -0.245 3.906 4.120 0.051 0.000 0.247 1125 V C 2.143 177.960 176.094 -0.460 0.000 1.048 1125 V CA 1.466 63.649 62.300 -0.195 0.000 1.049 1125 V CB -0.596 31.040 31.823 -0.312 0.000 0.672 1125 V HN 0.367 nan 8.190 nan 0.000 0.457 1126 L N -0.017 120.877 121.223 -0.549 0.000 2.056 1126 L HA -0.047 4.323 4.340 0.051 0.000 0.207 1126 L C 2.135 178.848 176.870 -0.261 0.000 1.078 1126 L CA 1.676 56.249 54.840 -0.446 0.000 0.749 1126 L CB -0.529 41.347 42.059 -0.304 0.000 0.901 1126 L HN 0.193 nan 8.230 nan 0.000 0.433 1127 I N -0.721 119.710 120.570 -0.232 0.000 2.151 1127 I HA -0.374 3.827 4.170 0.051 0.000 0.243 1127 I C 2.349 178.373 176.117 -0.155 0.000 1.080 1127 I CA 1.729 62.908 61.300 -0.202 0.000 1.339 1127 I CB -0.409 37.497 38.000 -0.156 0.000 1.039 1127 I HN 0.243 nan 8.210 nan 0.000 0.409 1128 S N 0.724 116.322 115.700 -0.170 0.000 2.399 1128 S HA -0.112 4.389 4.470 0.051 0.000 0.231 1128 S C 1.918 176.458 174.600 -0.100 0.000 1.022 1128 S CA 1.126 59.251 58.200 -0.125 0.000 0.983 1128 S CB -0.367 62.746 63.200 -0.145 0.000 0.803 1128 S HN 0.362 nan 8.310 nan 0.000 0.480 1129 L N 1.050 122.200 121.223 -0.123 0.000 2.056 1129 L HA -0.102 4.269 4.340 0.051 0.000 0.207 1129 L C 2.443 179.273 176.870 -0.067 0.000 1.078 1129 L CA 1.185 55.976 54.840 -0.081 0.000 0.749 1129 L CB -0.658 41.348 42.059 -0.087 0.000 0.901 1129 L HN 0.341 nan 8.230 nan 0.000 0.433 1130 Q N -0.149 119.593 119.800 -0.096 0.000 2.472 1130 Q HA -0.098 4.273 4.340 0.051 0.000 0.208 1130 Q C 1.484 177.442 176.000 -0.070 0.000 0.958 1130 Q CA 0.591 56.338 55.803 -0.093 0.000 0.932 1130 Q CB 0.245 28.894 28.738 -0.147 0.000 1.007 1130 Q HN 0.569 nan 8.270 nan 0.000 0.508 1131 E N -0.118 120.052 120.200 -0.050 0.000 2.415 1131 E HA 0.078 4.458 4.350 0.051 0.000 0.197 1131 E C 0.912 177.505 176.600 -0.010 0.000 1.007 1131 E CA 0.232 56.623 56.400 -0.016 0.000 0.890 1131 E CB 0.484 30.189 29.700 0.009 0.000 0.891 1131 E HN 0.180 nan 8.360 nan 0.000 0.496 1132 A N 0.748 123.558 122.820 -0.017 0.000 2.460 1132 A HA 0.117 4.468 4.320 0.051 0.000 0.258 1132 A C 1.541 179.125 177.584 0.001 0.000 1.300 1132 A CA -0.105 51.929 52.037 -0.004 0.000 0.913 1132 A CB 0.029 19.026 19.000 -0.005 0.000 1.031 1132 A HN -0.060 nan 8.150 nan 0.000 0.512 1133 K N -0.033 120.363 120.400 -0.007 0.000 2.314 1133 K HA -0.044 4.307 4.320 0.051 0.000 0.198 1133 K C 0.636 177.237 176.600 0.001 0.000 1.045 1133 K CA 0.763 57.048 56.287 -0.003 0.000 0.988 1133 K CB 0.095 32.587 32.500 -0.014 0.000 0.783 1133 K HN 0.367 nan 8.250 nan 0.000 0.484 1134 D N 1.148 121.549 120.400 0.002 0.000 2.087 1134 D HA -0.200 4.471 4.640 0.051 0.000 0.192 1134 D C 1.855 178.160 176.300 0.010 0.000 0.993 1134 D CA 1.420 55.424 54.000 0.006 0.000 0.828 1134 D CB -0.118 40.688 40.800 0.009 0.000 0.968 1134 D HN 0.244 nan 8.370 nan 0.000 0.448 1135 I N 0.978 121.555 120.570 0.012 0.000 2.185 1135 I HA -0.142 4.059 4.170 0.051 0.000 0.235 1135 I C 0.922 177.050 176.117 0.019 0.000 1.069 1135 I CA 0.367 61.677 61.300 0.016 0.000 1.354 1135 I CB -0.215 37.796 38.000 0.018 0.000 1.093 1135 I HN -0.047 nan 8.210 nan 0.000 0.411 1136 c N 2.560 121.174 118.600 0.022 0.000 2.610 1136 c HA 0.097 4.698 4.570 0.051 0.000 0.382 1136 c C 1.480 175.583 174.090 0.022 0.000 1.287 1136 c CA -0.302 56.043 56.329 0.027 0.000 1.640 1136 c CB -1.013 41.518 42.510 0.035 0.000 2.335 1136 c HN 0.493 nan 8.230 nan 0.000 0.577 1137 E N 0.779 120.991 120.200 0.020 0.000 2.354 1137 E HA 0.004 4.385 4.350 0.051 0.000 0.203 1137 E C 1.036 177.647 176.600 0.018 0.000 0.841 1137 E CA 0.340 56.749 56.400 0.016 0.000 1.046 1137 E CB 0.370 30.077 29.700 0.013 0.000 1.040 1137 E HN 0.710 nan 8.360 nan 0.000 0.504 1138 E N 0.164 120.376 120.200 0.020 0.000 2.734 1138 E HA 0.115 4.496 4.350 0.051 0.000 0.211 1138 E C 0.993 177.607 176.600 0.024 0.000 0.991 1138 E CA -0.018 56.394 56.400 0.020 0.000 1.065 1138 E CB 0.579 30.289 29.700 0.016 0.000 1.047 1138 E HN 0.082 nan 8.360 nan 0.000 0.470 1139 Q N -0.866 118.951 119.800 0.029 0.000 2.159 1139 Q HA 0.154 4.525 4.340 0.051 0.000 0.194 1139 Q C 0.003 176.025 176.000 0.037 0.000 0.968 1139 Q CA 0.675 56.499 55.803 0.035 0.000 0.837 1139 Q CB 0.670 29.433 28.738 0.042 0.000 0.920 1139 Q HN 0.053 nan 8.270 nan 0.000 0.485 1140 V N 2.698 122.635 119.914 0.039 0.000 2.385 1140 V HA 0.067 4.218 4.120 0.051 0.000 0.269 1140 V C 0.680 176.792 176.094 0.030 0.000 1.043 1140 V CA 0.018 62.342 62.300 0.039 0.000 0.906 1140 V CB 0.991 32.843 31.823 0.049 0.000 0.995 1140 V HN 0.364 nan 8.190 nan 0.000 0.467 1141 N N 2.800 121.515 118.700 0.025 0.000 2.333 1141 N HA -0.082 4.689 4.740 0.051 0.000 0.178 1141 N C 1.459 176.979 175.510 0.016 0.000 1.018 1141 N CA 1.141 54.203 53.050 0.019 0.000 0.882 1141 N CB 0.219 38.716 38.487 0.016 0.000 0.984 1141 N HN 0.708 nan 8.380 nan 0.000 0.434 1142 S N 0.719 116.429 115.700 0.017 0.000 2.677 1142 S HA 0.130 4.630 4.470 0.051 0.000 0.246 1142 S C 1.314 175.927 174.600 0.021 0.000 1.005 1142 S CA -0.328 57.880 58.200 0.013 0.000 1.062 1142 S CB 0.009 63.213 63.200 0.005 0.000 0.778 1142 S HN 0.093 nan 8.310 nan 0.000 0.461 1143 L N 1.785 123.023 121.223 0.025 0.000 2.095 1143 L HA 0.330 4.701 4.340 0.051 0.000 0.204 1143 L C -1.982 174.901 176.870 0.023 0.000 1.080 1143 L CA 0.662 55.521 54.840 0.031 0.000 0.759 1143 L CB -1.228 40.848 42.059 0.029 0.000 0.914 1143 L HN 0.140 nan 8.230 nan 0.000 0.439 1144 P HA 0.195 nan 4.420 nan 0.000 0.235 1144 P C 0.302 177.608 177.300 0.010 0.000 1.720 1144 P CA 0.813 63.918 63.100 0.009 0.000 1.003 1144 P CB -0.474 31.230 31.700 0.006 0.000 1.968 1145 G N -0.425 108.385 108.800 0.016 0.000 4.212 1145 G HA2 -0.138 3.853 3.960 0.051 0.000 0.199 1145 G HA3 -0.138 3.853 3.960 0.051 0.000 0.199 1145 G C 1.183 176.096 174.900 0.022 0.000 0.986 1145 G CA 0.307 45.415 45.100 0.013 0.000 0.985 1145 G HN 0.273 nan 8.290 nan 0.000 0.378 1146 S N 0.096 115.820 115.700 0.041 0.000 2.489 1146 S HA 0.220 4.721 4.470 0.051 0.000 0.228 1146 S C 2.121 176.806 174.600 0.141 0.000 0.995 1146 S CA 0.910 59.155 58.200 0.075 0.000 0.934 1146 S CB -0.214 63.051 63.200 0.108 0.000 0.771 1146 S HN 0.354 nan 8.310 nan 0.000 0.522 1147 I N 0.517 121.142 120.570 0.092 0.000 3.035 1147 I HA -0.007 4.194 4.170 0.051 0.000 0.271 1147 I C 2.244 178.393 176.117 0.053 0.000 1.190 1147 I CA 0.710 62.054 61.300 0.074 0.000 1.472 1147 I CB -0.280 37.734 38.000 0.024 0.000 1.116 1147 I HN 0.212 nan 8.210 nan 0.000 0.443 1148 T N 0.579 115.156 114.554 0.038 0.000 2.812 1148 T HA -0.092 4.289 4.350 0.051 0.000 0.264 1148 T C 2.009 176.733 174.700 0.039 0.000 1.042 1148 T CA 1.003 63.118 62.100 0.026 0.000 1.140 1148 T CB -0.008 68.868 68.868 0.014 0.000 0.870 1148 T HN 0.090 nan 8.240 nan 0.000 0.445 1149 K N 1.308 121.734 120.400 0.043 0.000 2.062 1149 K HA 0.205 4.556 4.320 0.051 0.000 0.205 1149 K C 2.537 179.196 176.600 0.099 0.000 1.051 1149 K CA 1.032 57.348 56.287 0.048 0.000 0.941 1149 K CB -0.547 31.957 32.500 0.007 0.000 0.719 1149 K HN 0.311 nan 8.250 nan 0.000 0.440 1150 A N 0.549 123.447 122.820 0.130 0.000 2.067 1150 A HA -0.043 4.307 4.320 0.051 0.000 0.219 1150 A C 2.218 179.937 177.584 0.225 0.000 1.158 1150 A CA 1.836 54.009 52.037 0.227 0.000 0.661 1150 A CB -0.594 18.625 19.000 0.365 0.000 0.801 1150 A HN 0.385 nan 8.150 nan 0.000 0.452 1151 G N -0.806 108.071 108.800 0.128 0.000 2.411 1151 G HA2 -0.158 3.833 3.960 0.051 0.000 0.213 1151 G HA3 -0.158 3.833 3.960 0.051 0.000 0.213 1151 G C 1.354 176.294 174.900 0.066 0.000 1.166 1151 G CA 0.969 46.109 45.100 0.068 0.000 0.802 1151 G HN 0.454 nan 8.290 nan 0.000 0.533 1152 D N 0.124 120.573 120.400 0.082 0.000 2.144 1152 D HA -0.139 4.532 4.640 0.051 0.000 0.199 1152 D C 2.041 178.409 176.300 0.114 0.000 0.984 1152 D CA 0.574 54.617 54.000 0.072 0.000 0.834 1152 D CB -0.144 40.696 40.800 0.067 0.000 0.955 1152 D HN 0.200 nan 8.370 nan 0.000 0.465 1153 F N 1.458 121.426 119.950 0.030 0.000 2.095 1153 F HA -0.187 4.371 4.527 0.051 0.000 0.298 1153 F C 2.189 178.026 175.800 0.062 0.000 1.104 1153 F CA 1.291 59.318 58.000 0.044 0.000 1.232 1153 F CB -0.544 38.487 39.000 0.053 0.000 0.987 1153 F HN -0.074 nan 8.300 nan 0.000 0.475 1154 L N -0.010 121.198 121.223 -0.024 0.000 1.973 1154 L HA -0.208 4.162 4.340 0.051 0.000 0.208 1154 L C 2.584 179.422 176.870 -0.054 0.000 1.073 1154 L CA 1.991 56.778 54.840 -0.089 0.000 0.746 1154 L CB -1.078 40.997 42.059 0.027 0.000 0.891 1154 L HN 0.162 nan 8.230 nan 0.000 0.433 1155 E N 0.141 120.315 120.200 -0.043 0.000 2.130 1155 E HA -0.278 4.103 4.350 0.051 0.000 0.196 1155 E C 2.112 178.702 176.600 -0.017 0.000 0.998 1155 E CA 1.394 57.761 56.400 -0.055 0.000 0.806 1155 E CB 0.037 29.702 29.700 -0.060 0.000 0.738 1155 E HN 0.488 nan 8.360 nan 0.000 0.459 1156 A N 1.015 123.821 122.820 -0.023 0.000 1.872 1156 A HA -0.082 4.269 4.320 0.051 0.000 0.214 1156 A C 1.457 179.016 177.584 -0.041 0.000 1.187 1156 A CA 1.104 53.130 52.037 -0.018 0.000 0.614 1156 A CB -0.054 18.945 19.000 -0.002 0.000 0.826 1156 A HN 0.179 nan 8.150 nan 0.000 0.442 1157 N N -1.205 117.416 118.700 -0.133 0.000 2.453 1157 N HA 0.157 4.928 4.740 0.051 0.000 0.270 1157 N C 0.130 175.562 175.510 -0.129 0.000 1.195 1157 N CA -0.063 52.878 53.050 -0.182 0.000 0.902 1157 N CB 0.234 38.502 38.487 -0.366 0.000 1.186 1157 N HN 0.617 nan 8.380 nan 0.000 0.510 1158 Y N 0.681 120.892 120.300 -0.148 0.000 2.476 1158 Y HA 0.191 4.772 4.550 0.051 0.000 0.283 1158 Y C 1.497 177.369 175.900 -0.047 0.000 1.109 1158 Y CA 0.807 58.852 58.100 -0.091 0.000 1.246 1158 Y CB 0.438 38.861 38.460 -0.061 0.000 1.068 1158 Y HN -0.046 nan 8.280 nan 0.000 0.552 1159 M N 0.060 119.671 119.600 0.019 0.000 2.505 1159 M HA 0.093 4.603 4.480 0.051 0.000 0.230 1159 M C 0.143 176.405 176.300 -0.063 0.000 1.153 1159 M CA 0.645 55.933 55.300 -0.020 0.000 0.997 1159 M CB -0.903 31.724 32.600 0.045 0.000 1.606 1159 M HN 0.389 nan 8.290 nan 0.000 0.481 1160 N N 0.296 118.943 118.700 -0.087 0.000 2.204 1160 N HA 0.243 5.014 4.740 0.051 0.000 0.219 1160 N C -0.479 174.978 175.510 -0.088 0.000 1.151 1160 N CA -0.138 52.868 53.050 -0.072 0.000 0.867 1160 N CB 0.934 39.389 38.487 -0.053 0.000 1.043 1160 N HN 0.246 nan 8.380 nan 0.000 0.516 1161 L N 1.372 122.510 121.223 -0.142 0.000 2.290 1161 L HA 0.231 4.601 4.340 0.051 0.000 0.284 1161 L C 1.192 178.001 176.870 -0.102 0.000 1.078 1161 L CA -0.410 54.351 54.840 -0.132 0.000 0.815 1161 L CB 1.316 43.247 42.059 -0.214 0.000 1.162 1161 L HN 0.024 nan 8.230 nan 0.000 0.435 1162 Q N 2.263 122.028 119.800 -0.057 0.000 2.339 1162 Q HA 0.146 4.517 4.340 0.051 0.000 0.205 1162 Q C 0.376 176.360 176.000 -0.026 0.000 0.925 1162 Q CA 0.596 56.373 55.803 -0.042 0.000 0.898 1162 Q CB 0.334 29.055 28.738 -0.028 0.000 1.013 1162 Q HN 0.578 nan 8.270 nan 0.000 0.504 1163 R N 0.093 120.591 120.500 -0.005 0.000 2.500 1163 R HA 0.265 4.636 4.340 0.051 0.000 0.275 1163 R C 1.362 177.699 176.300 0.061 0.000 1.051 1163 R CA -0.148 55.975 56.100 0.039 0.000 1.088 1163 R CB 0.710 31.054 30.300 0.073 0.000 1.063 1163 R HN -0.078 nan 8.270 nan 0.000 0.511 1164 S N 0.780 116.544 115.700 0.107 0.000 2.368 1164 S HA -0.179 4.321 4.470 0.051 0.000 0.225 1164 S C 1.553 176.294 174.600 0.236 0.000 1.030 1164 S CA 1.121 59.425 58.200 0.174 0.000 0.999 1164 S CB -0.287 63.033 63.200 0.201 0.000 0.844 1164 S HN 0.587 nan 8.310 nan 0.000 0.459 1165 Y N 2.542 122.916 120.300 0.122 0.000 2.053 1165 Y HA -0.235 4.346 4.550 0.051 0.000 0.277 1165 Y C 2.630 178.590 175.900 0.100 0.000 1.159 1165 Y CA 2.133 60.310 58.100 0.129 0.000 1.125 1165 Y CB -0.886 37.631 38.460 0.094 0.000 0.969 1165 Y HN 0.234 nan 8.280 nan 0.000 0.492 1166 T N -0.967 113.684 114.554 0.161 0.000 2.995 1166 T HA -0.096 4.285 4.350 0.051 0.000 0.269 1166 T C 1.966 176.667 174.700 0.002 0.000 1.091 1166 T CA 1.201 63.334 62.100 0.056 0.000 1.128 1166 T CB -0.488 68.417 68.868 0.061 0.000 0.891 1166 T HN 0.192 nan 8.240 nan 0.000 0.492 1167 V N 1.242 121.154 119.914 -0.002 0.000 2.591 1167 V HA 0.058 4.209 4.120 0.051 0.000 0.249 1167 V C 2.776 179.094 176.094 0.374 0.000 1.053 1167 V CA 1.366 63.678 62.300 0.020 0.000 1.068 1167 V CB -0.839 30.978 31.823 -0.010 0.000 0.689 1167 V HN 0.514 nan 8.190 nan 0.000 0.462 1168 A N -0.848 122.106 122.820 0.223 0.000 2.021 1168 A HA 0.078 4.429 4.320 0.051 0.000 0.216 1168 A C 2.124 179.745 177.584 0.062 0.000 1.163 1168 A CA 1.171 53.257 52.037 0.082 0.000 0.676 1168 A CB -0.176 18.747 19.000 -0.129 0.000 0.818 1168 A HN 0.476 nan 8.150 nan 0.000 0.453 1169 I N -1.542 118.956 120.570 -0.121 0.000 2.927 1169 I HA 0.088 4.289 4.170 0.051 0.000 0.268 1169 I C 2.448 178.475 176.117 -0.150 0.000 1.153 1169 I CA 0.948 62.016 61.300 -0.386 0.000 1.459 1169 I CB 0.121 37.599 38.000 -0.871 0.000 1.149 1169 I HN 0.265 nan 8.210 nan 0.000 0.443 1170 A N 0.536 123.372 122.820 0.026 0.000 1.968 1170 A HA -0.029 4.322 4.320 0.051 0.000 0.217 1170 A C 2.274 179.895 177.584 0.061 0.000 1.169 1170 A CA 1.396 53.494 52.037 0.101 0.000 0.638 1170 A CB -1.362 17.797 19.000 0.265 0.000 0.812 1170 A HN 0.481 nan 8.150 nan 0.000 0.446 1171 G N -1.232 107.691 108.800 0.206 0.000 2.469 1171 G HA2 -0.332 3.659 3.960 0.051 0.000 0.219 1171 G HA3 -0.332 3.659 3.960 0.051 0.000 0.219 1171 G C 1.543 176.325 174.900 -0.196 0.000 1.150 1171 G CA 1.391 46.457 45.100 -0.056 0.000 0.763 1171 G HN 0.571 nan 8.290 nan 0.000 0.561 1172 Y N 2.118 122.318 120.300 -0.167 0.000 2.224 1172 Y HA 0.064 4.645 4.550 0.051 0.000 0.289 1172 Y C 2.841 178.645 175.900 -0.161 0.000 1.146 1172 Y CA 0.937 58.941 58.100 -0.161 0.000 1.182 1172 Y CB -0.551 37.877 38.460 -0.053 0.000 0.983 1172 Y HN 0.251 nan 8.280 nan 0.000 0.524 1173 A N 0.131 122.794 122.820 -0.262 0.000 1.898 1173 A HA -0.119 4.232 4.320 0.051 0.000 0.216 1173 A C 2.260 179.677 177.584 -0.278 0.000 1.181 1173 A CA 1.749 53.599 52.037 -0.313 0.000 0.620 1173 A CB -1.044 17.854 19.000 -0.172 0.000 0.819 1173 A HN 0.515 nan 8.150 nan 0.000 0.442 1174 L N -1.057 120.014 121.223 -0.253 0.000 2.313 1174 L HA -0.035 4.335 4.340 0.051 0.000 0.214 1174 L C 2.768 179.473 176.870 -0.274 0.000 1.119 1174 L CA 0.662 55.346 54.840 -0.259 0.000 0.809 1174 L CB -0.353 41.510 42.059 -0.327 0.000 0.933 1174 L HN 0.424 nan 8.230 nan 0.000 0.449 1175 A N -0.630 122.005 122.820 -0.309 0.000 2.119 1175 A HA -0.111 4.239 4.320 0.051 0.000 0.216 1175 A C 2.023 179.461 177.584 -0.243 0.000 1.152 1175 A CA 0.773 52.645 52.037 -0.274 0.000 0.708 1175 A CB -0.143 18.703 19.000 -0.258 0.000 0.805 1175 A HN 0.447 nan 8.150 nan 0.000 0.460 1176 Q N -1.302 118.312 119.800 -0.311 0.000 2.319 1176 Q HA 0.279 4.650 4.340 0.051 0.000 0.202 1176 Q C 1.161 177.052 176.000 -0.182 0.000 0.896 1176 Q CA 0.176 55.817 55.803 -0.270 0.000 0.942 1176 Q CB 0.199 28.699 28.738 -0.397 0.000 1.083 1176 Q HN 0.710 nan 8.270 nan 0.000 0.510 1177 M N -1.223 118.276 119.600 -0.168 0.000 2.337 1177 M HA 0.227 4.738 4.480 0.051 0.000 0.256 1177 M C 0.663 176.903 176.300 -0.100 0.000 1.075 1177 M CA 0.147 55.376 55.300 -0.119 0.000 1.024 1177 M CB 1.042 33.575 32.600 -0.111 0.000 1.429 1177 M HN 0.169 nan 8.290 nan 0.000 0.497 1178 G N 2.402 111.134 108.800 -0.113 0.000 2.351 1178 G HA2 -0.266 3.725 3.960 0.051 0.000 0.297 1178 G HA3 -0.266 3.725 3.960 0.051 0.000 0.297 1178 G C 0.298 175.140 174.900 -0.097 0.000 1.054 1178 G CA 0.170 45.212 45.100 -0.096 0.000 1.123 1178 G HN 0.580 nan 8.290 nan 0.000 0.512 1179 R N -1.388 119.036 120.500 -0.127 0.000 2.519 1179 R HA 0.219 4.590 4.340 0.051 0.000 0.375 1179 R C 0.210 176.413 176.300 -0.162 0.000 0.926 1179 R CA -0.511 55.514 56.100 -0.125 0.000 1.166 1179 R CB 0.671 30.901 30.300 -0.118 0.000 1.626 1179 R HN 0.297 nan 8.270 nan 0.000 0.529 1180 L N 2.470 123.578 121.223 -0.192 0.000 2.287 1180 L HA 0.363 4.733 4.340 0.051 0.000 0.280 1180 L C -0.777 175.993 176.870 -0.167 0.000 1.055 1180 L CA 0.283 54.981 54.840 -0.236 0.000 0.863 1180 L CB 0.186 42.044 42.059 -0.335 0.000 1.245 1180 L HN -0.058 nan 8.230 nan 0.000 0.432 1181 K N 2.143 122.468 120.400 -0.126 0.000 2.399 1181 K HA 0.863 5.214 4.320 0.051 0.000 0.260 1181 K C 0.412 176.979 176.600 -0.055 0.000 1.049 1181 K CA -0.707 55.532 56.287 -0.080 0.000 0.890 1181 K CB 1.121 33.583 32.500 -0.062 0.000 1.430 1181 K HN 0.463 nan 8.250 nan 0.000 0.459 1182 G N 1.215 109.995 108.800 -0.034 0.000 2.596 1182 G HA2 -0.284 3.706 3.960 0.051 0.000 0.304 1182 G HA3 -0.284 3.706 3.960 0.051 0.000 0.304 1182 G C -1.483 173.417 174.900 -0.001 0.000 1.189 1182 G CA 0.396 45.486 45.100 -0.017 0.000 0.986 1182 G HN 0.552 nan 8.290 nan 0.000 0.548 1183 P HA 0.141 nan 4.420 nan 0.000 0.225 1183 P C 2.113 179.461 177.300 0.081 0.000 1.156 1183 P CA 1.151 64.272 63.100 0.035 0.000 0.787 1183 P CB -0.007 31.711 31.700 0.032 0.000 0.802 1184 L N -0.895 120.362 121.223 0.057 0.000 2.072 1184 L HA -0.065 4.306 4.340 0.051 0.000 0.205 1184 L C 2.541 179.476 176.870 0.108 0.000 1.079 1184 L CA 1.210 56.096 54.840 0.077 0.000 0.752 1184 L CB -1.658 40.298 42.059 -0.171 0.000 0.906 1184 L HN -0.066 nan 8.230 nan 0.000 0.436 1185 L N -0.245 120.993 121.223 0.025 0.000 2.027 1185 L HA -0.149 4.222 4.340 0.051 0.000 0.206 1185 L C 2.239 179.192 176.870 0.138 0.000 1.074 1185 L CA 1.574 56.452 54.840 0.063 0.000 0.745 1185 L CB -0.922 41.121 42.059 -0.027 0.000 0.898 1185 L HN 0.306 nan 8.230 nan 0.000 0.433 1186 N N 0.070 118.809 118.700 0.066 0.000 2.021 1186 N HA -0.327 4.444 4.740 0.051 0.000 0.198 1186 N C 1.976 177.518 175.510 0.054 0.000 1.041 1186 N CA 2.205 55.272 53.050 0.027 0.000 0.862 1186 N CB -0.223 38.272 38.487 0.013 0.000 1.048 1186 N HN 0.374 nan 8.380 nan 0.000 0.427 1187 K N -0.968 119.505 120.400 0.122 0.000 2.063 1187 K HA -0.182 4.169 4.320 0.051 0.000 0.208 1187 K C 1.995 178.711 176.600 0.193 0.000 1.048 1187 K CA 1.356 57.720 56.287 0.129 0.000 0.928 1187 K CB -0.486 32.117 32.500 0.173 0.000 0.713 1187 K HN 0.267 nan 8.250 nan 0.000 0.442 1188 F N 1.259 121.343 119.950 0.223 0.000 2.026 1188 F HA -0.188 4.370 4.527 0.051 0.000 0.296 1188 F C 1.618 177.568 175.800 0.250 0.000 1.133 1188 F CA 1.737 59.943 58.000 0.342 0.000 1.188 1188 F CB -0.372 38.797 39.000 0.281 0.000 0.968 1188 F HN -0.036 nan 8.300 nan 0.000 0.476 1189 L N -0.098 121.183 121.223 0.096 0.000 2.191 1189 L HA -0.188 4.183 4.340 0.051 0.000 0.212 1189 L C 2.317 178.907 176.870 -0.466 0.000 1.103 1189 L CA 1.760 56.364 54.840 -0.394 0.000 0.769 1189 L CB -1.115 40.554 42.059 -0.650 0.000 0.908 1189 L HN 0.433 nan 8.230 nan 0.000 0.438 1190 T N -6.661 107.727 114.554 -0.277 0.000 3.051 1190 T HA -0.034 4.347 4.350 0.051 0.000 0.255 1190 T C 1.679 176.195 174.700 -0.306 0.000 1.085 1190 T CA 0.658 62.620 62.100 -0.231 0.000 1.109 1190 T CB -0.176 68.616 68.868 -0.127 0.000 0.921 1190 T HN 0.063 nan 8.240 nan 0.000 0.488 1191 T N 2.477 116.816 114.554 -0.358 0.000 3.007 1191 T HA 0.270 4.651 4.350 0.051 0.000 0.270 1191 T C 1.067 175.349 174.700 -0.697 0.000 1.107 1191 T CA 0.693 62.559 62.100 -0.391 0.000 1.118 1191 T CB -0.550 68.183 68.868 -0.224 0.000 0.889 1191 T HN 0.669 nan 8.240 nan 0.000 0.506 1192 A N 2.077 124.204 122.820 -1.155 0.000 2.438 1192 A HA 0.289 4.640 4.320 0.051 0.000 0.280 1192 A C 0.352 177.580 177.584 -0.592 0.000 1.160 1192 A CA -0.200 51.092 52.037 -1.241 0.000 0.821 1192 A CB -0.124 17.804 19.000 -1.787 0.000 1.101 1192 A HN 0.303 nan 8.150 nan 0.000 0.515 1193 K N 2.457 122.585 120.400 -0.455 0.000 2.379 1193 K HA 0.130 4.480 4.320 0.051 0.000 0.284 1193 K C -0.371 176.060 176.600 -0.282 0.000 1.044 1193 K CA 0.083 56.190 56.287 -0.300 0.000 0.974 1193 K CB 0.178 32.533 32.500 -0.242 0.000 0.962 1193 K HN 0.780 nan 8.250 nan 0.000 0.474 1194 D N 3.371 123.649 120.400 -0.204 0.000 3.012 1194 D HA -0.191 4.479 4.640 0.051 0.000 0.222 1194 D C -0.908 175.273 176.300 -0.198 0.000 1.167 1194 D CA 0.985 54.884 54.000 -0.170 0.000 0.854 1194 D CB -0.690 40.018 40.800 -0.153 0.000 1.107 1194 D HN 0.824 nan 8.370 nan 0.000 0.421 1195 K N -1.092 119.172 120.400 -0.226 0.000 3.393 1195 K HA -0.302 4.048 4.320 0.051 0.000 0.272 1195 K C 0.769 177.122 176.600 -0.413 0.000 1.004 1195 K CA 1.374 57.472 56.287 -0.315 0.000 0.764 1195 K CB -1.708 30.618 32.500 -0.289 0.000 1.373 1195 K HN 0.777 nan 8.250 nan 0.000 0.458 1196 N N -1.402 117.088 118.700 -0.350 0.000 2.378 1196 N HA -0.078 4.693 4.740 0.051 0.000 0.317 1196 N C -0.325 175.095 175.510 -0.150 0.000 0.705 1196 N CA -0.487 52.434 53.050 -0.215 0.000 0.671 1196 N CB 0.266 38.662 38.487 -0.152 0.000 2.307 1196 N HN 0.296 nan 8.380 nan 0.000 1.211 1197 R N -0.117 120.106 120.500 -0.462 0.000 2.589 1197 R HA 0.354 4.724 4.340 0.051 0.000 0.293 1197 R C -1.289 174.823 176.300 -0.313 0.000 0.963 1197 R CA -0.708 55.028 56.100 -0.605 0.000 0.905 1197 R CB 1.380 30.647 30.300 -1.722 0.000 1.144 1197 R HN 0.129 nan 8.270 nan 0.000 0.459 1198 W N 3.835 124.928 121.300 -0.345 0.000 2.289 1198 W HA 0.170 4.861 4.660 0.052 0.000 0.342 1198 W C -0.236 176.204 176.519 -0.132 0.000 0.958 1198 W CA -0.343 56.882 57.345 -0.200 0.000 1.492 1198 W CB 1.179 30.560 29.460 -0.133 0.000 1.336 1198 W HN 0.786 nan 8.180 nan 0.000 0.371 1199 E N 1.494 121.682 120.200 -0.020 0.000 2.259 1199 E HA 0.558 4.939 4.350 0.051 0.000 0.257 1199 E C -0.848 175.784 176.600 0.052 0.000 0.998 1199 E CA -0.606 55.800 56.400 0.009 0.000 0.866 1199 E CB 2.183 31.839 29.700 -0.073 0.000 1.220 1199 E HN -0.000 nan 8.360 nan 0.000 0.415 1200 D N -0.095 120.349 120.400 0.072 0.000 2.596 1200 D HA 0.304 4.975 4.640 0.051 0.000 0.262 1200 D C -2.554 173.775 176.300 0.049 0.000 1.210 1200 D CA -1.423 52.620 54.000 0.071 0.000 0.873 1200 D CB 1.948 42.822 40.800 0.125 0.000 1.408 1200 D HN 0.382 nan 8.370 nan 0.000 0.441 1201 P HA 0.420 nan 4.420 nan 0.000 0.283 1201 P C -0.012 177.300 177.300 0.020 0.000 1.412 1201 P CA 0.036 63.147 63.100 0.019 0.000 0.912 1201 P CB 0.919 32.624 31.700 0.010 0.000 1.132 1202 G N 3.482 112.285 108.800 0.005 0.000 2.451 1202 G HA2 -0.029 3.962 3.960 0.051 0.000 0.083 1202 G HA3 -0.029 3.962 3.960 0.051 0.000 0.083 1202 G C -1.284 173.575 174.900 -0.068 0.000 1.107 1202 G CA -0.787 44.302 45.100 -0.020 0.000 1.117 1202 G HN 0.358 nan 8.290 nan 0.000 0.454 1203 K N 1.656 121.969 120.400 -0.144 0.000 2.383 1203 K HA 0.269 4.620 4.320 0.051 0.000 0.286 1203 K C 0.217 176.638 176.600 -0.298 0.000 1.051 1203 K CA 0.055 56.180 56.287 -0.271 0.000 0.974 1203 K CB 0.922 33.142 32.500 -0.465 0.000 0.968 1203 K HN 0.381 nan 8.250 nan 0.000 0.475 1204 Q N 3.047 122.730 119.800 -0.195 0.000 2.294 1204 Q HA 0.043 4.414 4.340 0.051 0.000 0.256 1204 Q C 0.526 176.422 176.000 -0.173 0.000 0.907 1204 Q CA 0.257 55.987 55.803 -0.122 0.000 0.954 1204 Q CB -0.009 28.694 28.738 -0.058 0.000 1.102 1204 Q HN 0.628 nan 8.270 nan 0.000 0.429 1205 L N -1.181 119.878 121.223 -0.273 0.000 2.781 1205 L HA 0.094 4.465 4.340 0.051 0.000 0.245 1205 L C 0.478 177.367 176.870 0.032 0.000 1.118 1205 L CA 0.085 54.796 54.840 -0.216 0.000 0.918 1205 L CB 0.452 42.368 42.059 -0.239 0.000 1.246 1205 L HN 0.260 nan 8.230 nan 0.000 0.526 1206 Y N -0.166 120.149 120.300 0.024 0.000 2.470 1206 Y HA 0.152 4.732 4.550 0.050 0.000 0.302 1206 Y C 1.426 177.432 175.900 0.176 0.000 1.194 1206 Y CA -0.443 57.705 58.100 0.080 0.000 1.271 1206 Y CB -0.789 37.655 38.460 -0.027 0.000 1.092 1206 Y HN 0.224 nan 8.280 nan 0.000 0.513 1207 N N -1.775 117.086 118.700 0.267 0.000 2.419 1207 N HA 0.038 4.808 4.740 0.051 0.000 0.216 1207 N C 1.479 177.200 175.510 0.352 0.000 1.118 1207 N CA 0.400 53.620 53.050 0.284 0.000 0.850 1207 N CB 0.128 38.755 38.487 0.234 0.000 1.292 1207 N HN 0.125 nan 8.380 nan 0.000 0.467 1208 V N 1.732 121.788 119.914 0.236 0.000 3.217 1208 V HA -0.033 4.118 4.120 0.051 0.000 0.264 1208 V C 2.208 178.368 176.094 0.110 0.000 1.135 1208 V CA 1.261 63.646 62.300 0.141 0.000 1.142 1208 V CB -0.235 31.513 31.823 -0.125 0.000 0.754 1208 V HN 0.329 nan 8.190 nan 0.000 0.484 1209 E N 0.910 121.208 120.200 0.163 0.000 2.045 1209 E HA -0.053 4.328 4.350 0.051 0.000 0.190 1209 E C 2.225 178.888 176.600 0.105 0.000 0.968 1209 E CA 0.998 57.488 56.400 0.149 0.000 0.813 1209 E CB -0.100 29.783 29.700 0.305 0.000 0.780 1209 E HN 0.481 nan 8.360 nan 0.000 0.455 1210 A N 0.283 123.275 122.820 0.286 0.000 2.066 1210 A HA -0.051 4.299 4.320 0.051 0.000 0.218 1210 A C 2.175 179.802 177.584 0.071 0.000 1.157 1210 A CA 1.436 53.628 52.037 0.258 0.000 0.670 1210 A CB -0.512 18.717 19.000 0.381 0.000 0.804 1210 A HN 0.292 nan 8.150 nan 0.000 0.453 1211 T N -0.088 114.532 114.554 0.110 0.000 3.035 1211 T HA -0.008 4.373 4.350 0.051 0.000 0.268 1211 T C 1.457 176.102 174.700 -0.091 0.000 1.109 1211 T CA 1.482 63.613 62.100 0.051 0.000 1.119 1211 T CB -0.058 68.984 68.868 0.290 0.000 0.900 1211 T HN 0.392 nan 8.240 nan 0.000 0.503 1212 S N 0.013 115.640 115.700 -0.122 0.000 2.568 1212 S HA 0.248 4.749 4.470 0.051 0.000 0.232 1212 S C 0.554 174.922 174.600 -0.388 0.000 0.975 1212 S CA -0.428 57.633 58.200 -0.231 0.000 0.949 1212 S CB -0.026 63.043 63.200 -0.217 0.000 0.829 1212 S HN 0.456 nan 8.310 nan 0.000 0.479 1213 Y N 1.138 121.289 120.300 -0.248 0.000 2.436 1213 Y HA 0.335 4.915 4.550 0.051 0.000 0.288 1213 Y C 2.382 178.086 175.900 -0.327 0.000 1.112 1213 Y CA 0.104 57.999 58.100 -0.342 0.000 1.220 1213 Y CB -0.521 37.800 38.460 -0.231 0.000 1.073 1213 Y HN 0.332 nan 8.280 nan 0.000 0.552 1214 A N -0.480 122.156 122.820 -0.307 0.000 1.968 1214 A HA -0.099 4.252 4.320 0.051 0.000 0.217 1214 A C 2.089 179.494 177.584 -0.300 0.000 1.169 1214 A CA 1.172 52.848 52.037 -0.602 0.000 0.638 1214 A CB -0.787 16.959 19.000 -2.089 0.000 0.812 1214 A HN 0.388 nan 8.150 nan 0.000 0.446 1215 L N -0.545 120.531 121.223 -0.245 0.000 2.072 1215 L HA 0.027 4.398 4.340 0.051 0.000 0.205 1215 L C 2.188 179.008 176.870 -0.084 0.000 1.079 1215 L CA 1.462 56.230 54.840 -0.119 0.000 0.752 1215 L CB -0.333 41.648 42.059 -0.129 0.000 0.906 1215 L HN 0.364 nan 8.230 nan 0.000 0.436 1216 L N -0.962 120.146 121.223 -0.193 0.000 2.275 1216 L HA -0.100 4.271 4.340 0.051 0.000 0.215 1216 L C 2.488 179.376 176.870 0.030 0.000 1.119 1216 L CA 0.805 55.516 54.840 -0.216 0.000 0.790 1216 L CB -0.625 41.023 42.059 -0.684 0.000 0.919 1216 L HN 0.346 nan 8.230 nan 0.000 0.443 1217 A N 0.026 122.894 122.820 0.080 0.000 1.872 1217 A HA -0.083 4.267 4.320 0.051 0.000 0.214 1217 A C 2.126 179.695 177.584 -0.025 0.000 1.187 1217 A CA 0.979 53.077 52.037 0.101 0.000 0.614 1217 A CB -0.537 18.380 19.000 -0.138 0.000 0.826 1217 A HN 0.335 nan 8.150 nan 0.000 0.442 1218 L N -0.675 120.569 121.223 0.035 0.000 2.362 1218 L HA -0.073 4.298 4.340 0.051 0.000 0.219 1218 L C 1.967 178.786 176.870 -0.084 0.000 1.134 1218 L CA 0.571 55.435 54.840 0.041 0.000 0.807 1218 L CB -0.287 41.876 42.059 0.172 0.000 0.927 1218 L HN 0.327 nan 8.230 nan 0.000 0.447 1219 L N -1.304 119.892 121.223 -0.044 0.000 2.529 1219 L HA -0.005 4.366 4.340 0.051 0.000 0.223 1219 L C 2.046 178.900 176.870 -0.027 0.000 1.113 1219 L CA 0.187 54.991 54.840 -0.059 0.000 0.861 1219 L CB 0.097 42.194 42.059 0.064 0.000 1.012 1219 L HN 0.162 nan 8.230 nan 0.000 0.461 1220 Q N -0.451 119.348 119.800 -0.002 0.000 2.282 1220 Q HA 0.137 4.508 4.340 0.051 0.000 0.206 1220 Q C 1.775 177.736 176.000 -0.066 0.000 0.878 1220 Q CA 0.355 56.153 55.803 -0.008 0.000 0.944 1220 Q CB 0.383 29.136 28.738 0.026 0.000 1.100 1220 Q HN 0.424 nan 8.270 nan 0.000 0.509 1221 L N -0.036 121.126 121.223 -0.102 0.000 2.341 1221 L HA 0.054 4.425 4.340 0.051 0.000 0.214 1221 L C 0.446 177.243 176.870 -0.121 0.000 1.115 1221 L CA 0.626 55.396 54.840 -0.117 0.000 0.820 1221 L CB 0.055 42.044 42.059 -0.117 0.000 0.944 1221 L HN 0.194 nan 8.230 nan 0.000 0.452 1222 K N -0.430 119.848 120.400 -0.203 0.000 3.274 1222 K HA -0.254 4.097 4.320 0.051 0.000 0.300 1222 K C -0.096 176.265 176.600 -0.397 0.000 1.230 1222 K CA 1.013 57.130 56.287 -0.283 0.000 0.884 1222 K CB -1.632 30.881 32.500 0.020 0.000 1.242 1222 K HN 0.279 nan 8.250 nan 0.000 0.467 1223 D N 0.205 120.392 120.400 -0.354 0.000 2.494 1223 D HA 0.191 4.862 4.640 0.051 0.000 0.217 1223 D C 0.247 176.453 176.300 -0.157 0.000 1.153 1223 D CA -0.313 53.606 54.000 -0.135 0.000 0.954 1223 D CB 0.047 40.845 40.800 -0.002 0.000 1.034 1223 D HN 0.092 nan 8.370 nan 0.000 0.518 1224 F N 1.107 121.126 119.950 0.115 0.000 2.731 1224 F HA 0.130 4.687 4.527 0.051 0.000 0.304 1224 F C 1.483 177.350 175.800 0.111 0.000 1.133 1224 F CA -0.194 57.873 58.000 0.113 0.000 1.380 1224 F CB 0.170 39.211 39.000 0.068 0.000 1.079 1224 F HN 0.272 nan 8.300 nan 0.000 0.550 1225 D N -0.170 120.373 120.400 0.238 0.000 2.146 1225 D HA -0.120 4.551 4.640 0.051 0.000 0.209 1225 D C 1.648 178.072 176.300 0.206 0.000 0.973 1225 D CA 1.176 55.295 54.000 0.199 0.000 0.860 1225 D CB -0.455 40.458 40.800 0.188 0.000 1.015 1225 D HN 0.257 nan 8.370 nan 0.000 0.465 1226 F N 0.834 120.843 119.950 0.099 0.000 2.773 1226 F HA 0.050 4.608 4.527 0.051 0.000 0.304 1226 F C 1.643 177.524 175.800 0.135 0.000 1.129 1226 F CA 0.031 58.098 58.000 0.111 0.000 1.378 1226 F CB 0.416 39.496 39.000 0.132 0.000 1.095 1226 F HN -0.254 nan 8.300 nan 0.000 0.565 1227 V N 0.915 120.943 119.914 0.191 0.000 2.436 1227 V HA -0.039 4.112 4.120 0.051 0.000 0.240 1227 V C -0.430 175.728 176.094 0.107 0.000 1.040 1227 V CA 1.090 63.491 62.300 0.168 0.000 1.052 1227 V CB -1.209 30.728 31.823 0.190 0.000 0.707 1227 V HN 0.101 nan 8.190 nan 0.000 0.469 1228 P HA -0.135 nan 4.420 nan 0.000 0.216 1228 P C -1.488 175.826 177.300 0.025 0.000 1.154 1228 P CA 1.992 65.159 63.100 0.113 0.000 0.865 1228 P CB -1.312 30.457 31.700 0.115 0.000 0.789 1229 P HA -0.122 nan 4.420 nan 0.000 0.215 1229 P C 1.595 178.908 177.300 0.023 0.000 1.153 1229 P CA 1.117 64.193 63.100 -0.039 0.000 0.853 1229 P CB -0.570 31.037 31.700 -0.155 0.000 0.788 1230 V N -0.555 119.378 119.914 0.031 0.000 2.392 1230 V HA -0.212 3.939 4.120 0.051 0.000 0.249 1230 V C 2.454 178.602 176.094 0.091 0.000 1.059 1230 V CA 1.758 64.134 62.300 0.127 0.000 1.051 1230 V CB -1.288 30.629 31.823 0.158 0.000 0.658 1230 V HN -0.016 nan 8.190 nan 0.000 0.455 1231 V N -0.268 119.605 119.914 -0.069 0.000 2.270 1231 V HA -0.229 3.921 4.120 0.051 0.000 0.245 1231 V C 2.555 178.601 176.094 -0.079 0.000 1.043 1231 V CA 2.262 64.440 62.300 -0.204 0.000 1.014 1231 V CB -0.741 30.765 31.823 -0.527 0.000 0.645 1231 V HN 0.427 nan 8.190 nan 0.000 0.447 1232 R N -1.419 119.070 120.500 -0.017 0.000 2.127 1232 R HA -0.262 4.109 4.340 0.051 0.000 0.238 1232 R C 2.117 178.452 176.300 0.057 0.000 1.134 1232 R CA 2.201 58.311 56.100 0.017 0.000 0.975 1232 R CB -0.324 29.998 30.300 0.037 0.000 0.865 1232 R HN 0.686 nan 8.270 nan 0.000 0.447 1233 W N 0.595 121.853 121.300 -0.070 0.000 2.409 1233 W HA -0.080 4.611 4.660 0.052 0.000 0.299 1233 W C 1.320 177.798 176.519 -0.069 0.000 1.203 1233 W CA 1.030 58.341 57.345 -0.056 0.000 1.298 1233 W CB -0.191 29.245 29.460 -0.039 0.000 1.127 1233 W HN 0.005 nan 8.180 nan 0.000 0.528 1234 L N 1.004 122.131 121.223 -0.160 0.000 2.376 1234 L HA -0.104 4.266 4.340 0.051 0.000 0.219 1234 L C 1.724 178.374 176.870 -0.367 0.000 1.133 1234 L CA 0.714 55.320 54.840 -0.390 0.000 0.816 1234 L CB -0.714 41.228 42.059 -0.195 0.000 0.933 1234 L HN -0.002 nan 8.230 nan 0.000 0.449 1235 N N -0.275 118.275 118.700 -0.250 0.000 2.412 1235 N HA -0.055 4.716 4.740 0.051 0.000 0.184 1235 N C 1.308 176.706 175.510 -0.186 0.000 1.101 1235 N CA 0.553 53.484 53.050 -0.198 0.000 0.881 1235 N CB 0.469 38.893 38.487 -0.105 0.000 0.969 1235 N HN 0.467 nan 8.380 nan 0.000 0.459 1236 E N 0.057 120.112 120.200 -0.242 0.000 2.251 1236 E HA 0.104 4.484 4.350 0.051 0.000 0.194 1236 E C 0.881 177.293 176.600 -0.312 0.000 0.964 1236 E CA 0.242 56.511 56.400 -0.218 0.000 0.868 1236 E CB 0.289 29.892 29.700 -0.163 0.000 0.828 1236 E HN 0.139 nan 8.360 nan 0.000 0.481 1237 Q N 0.933 120.410 119.800 -0.539 0.000 2.373 1237 Q HA 0.042 4.413 4.340 0.051 0.000 0.206 1237 Q C -0.328 175.462 176.000 -0.350 0.000 0.942 1237 Q CA 0.080 55.566 55.803 -0.528 0.000 0.953 1237 Q CB -0.074 28.111 28.738 -0.921 0.000 1.022 1237 Q HN 0.177 nan 8.270 nan 0.000 0.502 1238 R N 1.201 121.500 120.500 -0.334 0.000 2.057 1238 R HA -0.216 4.155 4.340 0.051 0.000 0.157 1238 R C -0.375 175.591 176.300 -0.557 0.000 0.387 1238 R CA 0.328 56.151 56.100 -0.462 0.000 0.411 1238 R CB -1.520 28.598 30.300 -0.303 0.000 1.648 1238 R HN 0.124 nan 8.270 nan 0.000 0.556 1239 Y N 1.706 121.662 120.300 -0.574 0.000 2.425 1239 Y HA 0.132 4.713 4.550 0.051 0.000 0.347 1239 Y C -0.344 175.382 175.900 -0.290 0.000 0.976 1239 Y CA -1.648 56.245 58.100 -0.345 0.000 1.190 1239 Y CB 0.328 38.648 38.460 -0.233 0.000 1.136 1239 Y HN 0.227 nan 8.280 nan 0.000 0.517 1240 Y N 5.552 125.603 120.300 -0.415 0.000 2.882 1240 Y HA 0.342 4.922 4.550 0.050 0.000 0.361 1240 Y C 1.478 177.155 175.900 -0.371 0.000 1.058 1240 Y CA -0.039 57.920 58.100 -0.236 0.000 1.575 1240 Y CB -0.267 38.179 38.460 -0.024 0.000 1.383 1240 Y HN 0.953 nan 8.280 nan 0.000 0.515 1241 G N 0.647 108.908 108.800 -0.899 0.000 2.574 1241 G HA2 0.011 4.002 3.960 0.051 0.000 0.295 1241 G HA3 0.011 4.002 3.960 0.051 0.000 0.295 1241 G C 0.414 175.281 174.900 -0.056 0.000 1.300 1241 G CA 0.093 44.919 45.100 -0.458 0.000 0.944 1241 G HN 1.354 nan 8.290 nan 0.000 0.551 1242 G N -2.300 106.581 108.800 0.135 0.000 2.750 1242 G HA2 0.501 4.492 3.960 0.051 0.000 0.686 1242 G HA3 0.501 4.492 3.960 0.051 0.000 0.686 1242 G C 1.271 176.287 174.900 0.192 0.000 1.395 1242 G CA 0.555 45.780 45.100 0.209 0.000 0.918 1242 G HN 3.261 nan 8.290 nan 0.000 0.594 1243 G N 0.423 109.324 108.800 0.167 0.000 2.418 1243 G HA2 0.244 4.235 3.960 0.051 0.000 0.206 1243 G HA3 0.244 4.235 3.960 0.051 0.000 0.206 1243 G C -0.173 174.848 174.900 0.202 0.000 1.202 1243 G CA 0.229 45.434 45.100 0.175 0.000 1.061 1243 G HN 2.122 nan 8.290 nan 0.000 0.563 1244 Y N 2.294 122.659 120.300 0.108 0.000 2.385 1244 Y HA 0.449 5.032 4.550 0.055 0.000 0.341 1244 Y C 1.196 177.160 175.900 0.107 0.000 0.965 1244 Y CA 1.024 59.183 58.100 0.099 0.000 1.180 1244 Y CB 0.882 39.382 38.460 0.066 0.000 1.139 1244 Y HN 2.202 nan 8.280 nan 0.000 0.502 1245 G N 2.824 111.703 108.800 0.132 0.000 2.147 1245 G HA2 -0.378 3.613 3.960 0.051 0.000 0.244 1245 G HA3 -0.378 3.613 3.960 0.051 0.000 0.244 1245 G C 1.056 176.081 174.900 0.209 0.000 1.005 1245 G CA 0.737 45.941 45.100 0.173 0.000 0.713 1245 G HN 0.890 nan 8.290 nan 0.000 0.515 1246 S N -0.928 114.908 115.700 0.227 0.000 2.395 1246 S HA -0.065 4.436 4.470 0.051 0.000 0.225 1246 S C 2.316 177.096 174.600 0.300 0.000 1.027 1246 S CA 1.940 60.322 58.200 0.304 0.000 0.965 1246 S CB -0.637 62.749 63.200 0.310 0.000 0.812 1246 S HN 1.187 nan 8.310 nan 0.000 0.482 1247 T N 2.607 117.315 114.554 0.255 0.000 2.019 1247 T HA -0.366 4.015 4.350 0.051 0.000 0.163 1247 T C 1.709 176.612 174.700 0.338 0.000 1.761 1247 T CA 2.340 64.611 62.100 0.285 0.000 0.929 1247 T CB -1.271 67.735 68.868 0.230 0.000 0.787 1247 T HN 0.424 nan 8.240 nan 0.000 0.427 1248 Q N 1.002 120.977 119.800 0.293 0.000 2.016 1248 Q HA 0.124 4.495 4.340 0.051 0.000 0.200 1248 Q C 2.888 179.089 176.000 0.336 0.000 0.978 1248 Q CA 1.826 57.827 55.803 0.330 0.000 0.833 1248 Q CB -1.231 27.708 28.738 0.335 0.000 0.895 1248 Q HN 0.699 nan 8.270 nan 0.000 0.427 1249 A N 0.793 123.799 122.820 0.310 0.000 1.915 1249 A HA -0.259 4.092 4.320 0.051 0.000 0.220 1249 A C 2.357 180.157 177.584 0.359 0.000 1.198 1249 A CA 2.621 54.836 52.037 0.297 0.000 0.647 1249 A CB -1.135 18.033 19.000 0.279 0.000 0.825 1249 A HN 0.484 nan 8.150 nan 0.000 0.456 1250 T N -1.505 113.296 114.554 0.413 0.000 2.821 1250 T HA -0.057 4.323 4.350 0.051 0.000 0.267 1250 T C 1.606 176.538 174.700 0.387 0.000 1.046 1250 T CA 1.349 63.679 62.100 0.384 0.000 1.139 1250 T CB -0.345 68.710 68.868 0.313 0.000 0.871 1250 T HN 0.456 nan 8.240 nan 0.000 0.454 1251 F N 1.681 121.767 119.950 0.226 0.000 2.039 1251 F HA -0.019 4.537 4.527 0.049 0.000 0.294 1251 F C 2.210 178.078 175.800 0.113 0.000 1.130 1251 F CA 1.228 59.345 58.000 0.195 0.000 1.189 1251 F CB -0.175 38.967 39.000 0.237 0.000 0.983 1251 F HN -0.064 nan 8.300 nan 0.000 0.471 1252 M N -0.410 119.329 119.600 0.230 0.000 2.319 1252 M HA -0.078 4.433 4.480 0.051 0.000 0.265 1252 M C 2.277 178.476 176.300 -0.168 0.000 1.068 1252 M CA 0.769 56.034 55.300 -0.058 0.000 1.118 1252 M CB -1.333 31.066 32.600 -0.335 0.000 1.395 1252 M HN 0.238 nan 8.290 nan 0.000 0.435 1253 V N -0.382 119.459 119.914 -0.121 0.000 2.548 1253 V HA -0.195 3.955 4.120 0.051 0.000 0.249 1253 V C 1.764 177.629 176.094 -0.381 0.000 1.055 1253 V CA 1.581 63.725 62.300 -0.260 0.000 1.065 1253 V CB -0.321 31.326 31.823 -0.294 0.000 0.681 1253 V HN 0.247 nan 8.190 nan 0.000 0.462 1254 F N -0.809 119.042 119.950 -0.165 0.000 2.698 1254 F HA 0.166 4.725 4.527 0.053 0.000 0.295 1254 F C 2.296 178.079 175.800 -0.029 0.000 1.124 1254 F CA 0.766 58.658 58.000 -0.179 0.000 1.426 1254 F CB -0.069 38.749 39.000 -0.303 0.000 1.120 1254 F HN 0.118 nan 8.300 nan 0.000 0.583 1255 Q N -0.089 119.709 119.800 -0.004 0.000 2.378 1255 Q HA 0.009 4.380 4.340 0.051 0.000 0.205 1255 Q C 1.923 177.928 176.000 0.009 0.000 0.954 1255 Q CA 0.978 56.763 55.803 -0.030 0.000 0.901 1255 Q CB 0.217 28.797 28.738 -0.265 0.000 0.981 1255 Q HN 0.416 nan 8.270 nan 0.000 0.483 1256 A N -0.047 122.749 122.820 -0.041 0.000 1.909 1256 A HA 0.100 4.450 4.320 0.051 0.000 0.209 1256 A C 1.742 179.342 177.584 0.027 0.000 1.247 1256 A CA 0.006 52.008 52.037 -0.059 0.000 0.660 1256 A CB -0.325 18.577 19.000 -0.164 0.000 0.910 1256 A HN 0.320 nan 8.150 nan 0.000 0.465 1257 L N 0.075 121.307 121.223 0.015 0.000 2.633 1257 L HA -0.051 4.320 4.340 0.051 0.000 0.235 1257 L C 2.559 179.624 176.870 0.325 0.000 1.163 1257 L CA 0.489 55.402 54.840 0.121 0.000 0.859 1257 L CB -0.368 41.701 42.059 0.017 0.000 0.973 1257 L HN 0.490 nan 8.230 nan 0.000 0.451 1258 A N -0.402 122.588 122.820 0.284 0.000 1.862 1258 A HA -0.142 4.209 4.320 0.051 0.000 0.211 1258 A C 2.171 179.805 177.584 0.083 0.000 1.220 1258 A CA 0.604 52.722 52.037 0.136 0.000 0.616 1258 A CB -0.330 18.774 19.000 0.173 0.000 0.878 1258 A HN 0.247 nan 8.150 nan 0.000 0.453 1259 Q N -1.416 118.460 119.800 0.127 0.000 2.181 1259 Q HA -0.206 4.165 4.340 0.051 0.000 0.205 1259 Q C 1.731 177.817 176.000 0.143 0.000 0.980 1259 Q CA 1.983 57.858 55.803 0.119 0.000 0.862 1259 Q CB -0.627 28.185 28.738 0.124 0.000 0.905 1259 Q HN 0.750 nan 8.270 nan 0.000 0.429 1260 Y N 0.868 121.193 120.300 0.042 0.000 2.102 1260 Y HA -0.303 4.277 4.550 0.051 0.000 0.280 1260 Y C 1.654 177.577 175.900 0.039 0.000 1.178 1260 Y CA 2.083 60.219 58.100 0.061 0.000 1.146 1260 Y CB -0.060 38.432 38.460 0.052 0.000 0.968 1260 Y HN 0.194 nan 8.280 nan 0.000 0.504 1261 Q N -0.022 119.767 119.800 -0.018 0.000 2.482 1261 Q HA -0.061 4.310 4.340 0.051 0.000 0.209 1261 Q C 1.763 177.680 176.000 -0.139 0.000 0.961 1261 Q CA 0.680 56.387 55.803 -0.159 0.000 0.945 1261 Q CB 0.134 28.807 28.738 -0.108 0.000 1.012 1261 Q HN 0.582 nan 8.270 nan 0.000 0.515 1262 K N 0.536 120.888 120.400 -0.081 0.000 2.121 1262 K HA -0.045 4.305 4.320 0.051 0.000 0.203 1262 K C 0.971 177.540 176.600 -0.053 0.000 1.041 1262 K CA 1.031 57.283 56.287 -0.059 0.000 0.969 1262 K CB 0.426 32.915 32.500 -0.019 0.000 0.799 1262 K HN 0.067 nan 8.250 nan 0.000 0.456 1263 D N 0.670 121.063 120.400 -0.012 0.000 2.271 1263 D HA 0.046 4.717 4.640 0.051 0.000 0.206 1263 D C 0.365 176.657 176.300 -0.012 0.000 0.967 1263 D CA 0.162 54.185 54.000 0.038 0.000 0.867 1263 D CB -0.091 40.796 40.800 0.144 0.000 0.960 1263 D HN 0.111 nan 8.370 nan 0.000 0.509 1264 A N 1.914 124.677 122.820 -0.094 0.000 2.531 1264 A HA 0.256 4.606 4.320 0.051 0.000 0.236 1264 A C -2.069 175.278 177.584 -0.395 0.000 1.062 1264 A CA -0.797 51.091 52.037 -0.248 0.000 0.760 1264 A CB -0.391 18.340 19.000 -0.449 0.000 0.995 1264 A HN -0.059 nan 8.150 nan 0.000 0.501 1265 P HA -0.063 nan 4.420 nan 0.000 0.259 1265 P C -0.315 176.748 177.300 -0.394 0.000 1.155 1265 P CA 0.640 63.450 63.100 -0.484 0.000 0.759 1265 P CB 0.414 31.813 31.700 -0.503 0.000 0.753 1266 D N 1.487 121.657 120.400 -0.383 0.000 2.106 1266 D HA -0.065 4.606 4.640 0.051 0.000 0.203 1266 D C 0.352 176.128 176.300 -0.873 0.000 0.977 1266 D CA 1.727 55.367 54.000 -0.599 0.000 0.844 1266 D CB -0.137 40.379 40.800 -0.474 0.000 1.002 1266 D HN 0.542 nan 8.370 nan 0.000 0.461 1267 H N 0.364 119.319 119.070 -0.192 0.000 3.181 1267 H HA 0.194 4.781 4.556 0.051 0.000 0.331 1267 H C -0.311 174.705 175.328 -0.518 0.000 0.988 1267 H CA -0.565 55.249 56.048 -0.391 0.000 1.449 1267 H CB 0.882 30.469 29.762 -0.291 0.000 1.749 1267 H HN -0.049 nan 8.280 nan 0.000 0.501 1268 Q N 2.166 121.716 119.800 -0.418 0.000 2.283 1268 Q HA -0.018 4.353 4.340 0.051 0.000 0.301 1268 Q C 0.172 175.963 176.000 -0.348 0.000 1.063 1268 Q CA 0.788 56.393 55.803 -0.331 0.000 0.952 1268 Q CB 0.876 29.455 28.738 -0.265 0.000 1.166 1268 Q HN 0.612 nan 8.270 nan 0.000 0.381 1269 E N 2.899 122.982 120.200 -0.194 0.000 2.283 1269 E HA 0.314 4.694 4.350 0.051 0.000 0.278 1269 E C -0.426 176.142 176.600 -0.054 0.000 1.027 1269 E CA -0.267 56.069 56.400 -0.107 0.000 0.843 1269 E CB 0.849 30.524 29.700 -0.042 0.000 1.062 1269 E HN 0.365 nan 8.360 nan 0.000 0.401 1270 L N 3.011 124.247 121.223 0.021 0.000 2.341 1270 L HA 0.416 4.787 4.340 0.051 0.000 0.278 1270 L C 0.273 177.141 176.870 -0.002 0.000 1.005 1270 L CA -0.532 54.329 54.840 0.034 0.000 0.818 1270 L CB 1.136 43.261 42.059 0.110 0.000 1.259 1270 L HN 0.517 nan 8.230 nan 0.000 0.418 1271 N N 3.957 122.616 118.700 -0.068 0.000 2.639 1271 N HA 0.244 5.015 4.740 0.051 0.000 0.265 1271 N C -1.240 174.183 175.510 -0.145 0.000 1.689 1271 N CA -0.157 52.786 53.050 -0.179 0.000 0.813 1271 N CB 0.894 39.335 38.487 -0.077 0.000 1.353 1271 N HN 0.535 nan 8.380 nan 0.000 0.510 1272 L N 0.750 121.897 121.223 -0.128 0.000 2.349 1272 L HA 0.248 4.619 4.340 0.051 0.000 0.275 1272 L C -0.150 176.684 176.870 -0.060 0.000 1.115 1272 L CA 0.069 54.872 54.840 -0.063 0.000 0.820 1272 L CB 0.740 42.784 42.059 -0.025 0.000 1.135 1272 L HN 0.098 nan 8.230 nan 0.000 0.445 1273 D N 2.362 122.750 120.400 -0.019 0.000 2.517 1273 D HA 0.195 4.866 4.640 0.051 0.000 0.301 1273 D C -0.606 175.714 176.300 0.034 0.000 1.202 1273 D CA -0.143 53.862 54.000 0.008 0.000 0.910 1273 D CB 0.927 41.733 40.800 0.010 0.000 1.021 1273 D HN -0.000 nan 8.370 nan 0.000 0.499 1274 V N 1.396 121.344 119.914 0.056 0.000 2.485 1274 V HA 0.130 4.281 4.120 0.051 0.000 0.287 1274 V C 0.645 176.793 176.094 0.091 0.000 1.022 1274 V CA 0.086 62.427 62.300 0.069 0.000 1.067 1274 V CB 0.748 32.615 31.823 0.074 0.000 0.967 1274 V HN 0.292 nan 8.190 nan 0.000 0.479 1275 S N 6.486 122.229 115.700 0.072 0.000 2.442 1275 S HA 0.756 5.257 4.470 0.051 0.000 0.297 1275 S C -0.473 174.182 174.600 0.090 0.000 1.131 1275 S CA -0.550 57.694 58.200 0.074 0.000 1.092 1275 S CB 1.123 64.355 63.200 0.053 0.000 0.998 1275 S HN 0.442 nan 8.310 nan 0.000 0.478 1276 L N 2.523 123.809 121.223 0.104 0.000 2.333 1276 L HA 0.659 5.030 4.340 0.051 0.000 0.269 1276 L C -0.068 176.860 176.870 0.097 0.000 1.010 1276 L CA -0.285 54.629 54.840 0.123 0.000 0.818 1276 L CB 1.407 43.541 42.059 0.125 0.000 1.306 1276 L HN 0.643 nan 8.230 nan 0.000 0.430 1277 Q N 2.369 122.240 119.800 0.118 0.000 2.759 1277 Q HA 0.436 4.807 4.340 0.051 0.000 0.225 1277 Q C -1.981 174.086 176.000 0.112 0.000 0.823 1277 Q CA -0.508 55.346 55.803 0.085 0.000 0.828 1277 Q CB 1.180 29.959 28.738 0.068 0.000 1.425 1277 Q HN 0.517 nan 8.270 nan 0.000 0.449 1278 L N 5.078 126.345 121.223 0.073 0.000 2.395 1278 L HA 0.423 4.794 4.340 0.051 0.000 0.269 1278 L C -1.349 175.557 176.870 0.062 0.000 1.133 1278 L CA -1.288 53.604 54.840 0.086 0.000 0.812 1278 L CB 0.115 42.163 42.059 -0.019 0.000 1.125 1278 L HN 0.502 nan 8.230 nan 0.000 0.452 1279 P HA -0.104 nan 4.420 nan 0.000 0.220 1279 P C 1.689 179.005 177.300 0.027 0.000 1.152 1279 P CA 0.871 63.998 63.100 0.045 0.000 0.812 1279 P CB 0.323 32.052 31.700 0.048 0.000 0.792 1280 S N -0.320 115.395 115.700 0.025 0.000 2.389 1280 S HA -0.207 4.294 4.470 0.051 0.000 0.229 1280 S C 1.349 175.949 174.600 0.000 0.000 1.048 1280 S CA 1.090 59.295 58.200 0.007 0.000 1.117 1280 S CB -0.564 62.633 63.200 -0.005 0.000 1.020 1280 S HN 0.073 nan 8.310 nan 0.000 0.430 1281 R N -0.333 120.163 120.500 -0.005 0.000 2.583 1281 R HA 0.303 4.674 4.340 0.051 0.000 0.268 1281 R C 1.508 177.809 176.300 0.002 0.000 1.101 1281 R CA 0.436 56.532 56.100 -0.007 0.000 1.180 1281 R CB 0.647 30.938 30.300 -0.016 0.000 1.128 1281 R HN 0.310 nan 8.270 nan 0.000 0.568 1282 S N -0.396 115.305 115.700 0.001 0.000 2.356 1282 S HA 0.032 4.533 4.470 0.051 0.000 0.219 1282 S C 0.280 174.885 174.600 0.007 0.000 1.036 1282 S CA 0.407 58.610 58.200 0.004 0.000 0.965 1282 S CB 0.242 63.443 63.200 0.002 0.000 0.864 1282 S HN 0.515 nan 8.310 nan 0.000 0.471 1283 S N 1.016 116.719 115.700 0.005 0.000 2.651 1283 S HA 0.402 4.903 4.470 0.051 0.000 0.291 1283 S C 0.092 174.698 174.600 0.011 0.000 1.141 1283 S CA -0.804 57.400 58.200 0.007 0.000 1.027 1283 S CB 1.238 64.439 63.200 0.002 0.000 1.043 1283 S HN 0.211 nan 8.310 nan 0.000 0.530 1284 K N 0.792 121.202 120.400 0.016 0.000 2.185 1284 K HA 0.197 4.548 4.320 0.051 0.000 0.245 1284 K C -0.569 176.043 176.600 0.019 0.000 1.035 1284 K CA 0.140 56.441 56.287 0.024 0.000 0.847 1284 K CB 0.152 32.668 32.500 0.026 0.000 1.056 1284 K HN 0.345 nan 8.250 nan 0.000 0.518 1285 I N 2.043 122.633 120.570 0.034 0.000 2.560 1285 I HA 0.043 4.244 4.170 0.051 0.000 0.278 1285 I C -0.582 175.563 176.117 0.048 0.000 1.089 1285 I CA -0.235 61.084 61.300 0.031 0.000 1.086 1285 I CB 1.350 39.389 38.000 0.065 0.000 1.202 1285 I HN 0.455 nan 8.210 nan 0.000 0.471 1286 T N 4.359 118.914 114.554 0.002 0.000 3.414 1286 T HA 0.163 4.544 4.350 0.051 0.000 0.304 1286 T C 0.538 175.231 174.700 -0.011 0.000 1.241 1286 T CA -0.078 62.031 62.100 0.015 0.000 1.076 1286 T CB -0.661 68.209 68.868 0.004 0.000 1.134 1286 T HN 0.200 nan 8.240 nan 0.000 0.759 1287 H N 3.819 122.901 119.070 0.021 0.000 3.291 1287 H HA 0.119 4.706 4.556 0.051 0.000 0.256 1287 H C 0.964 176.306 175.328 0.023 0.000 1.315 1287 H CA 0.128 56.189 56.048 0.023 0.000 1.521 1287 H CB 0.136 29.910 29.762 0.020 0.000 1.621 1287 H HN 0.344 nan 8.280 nan 0.000 0.498 1288 R N 3.051 123.597 120.500 0.076 0.000 2.643 1288 R HA 0.250 4.621 4.340 0.051 0.000 0.270 1288 R C -0.076 176.292 176.300 0.112 0.000 1.061 1288 R CA 0.145 56.299 56.100 0.089 0.000 1.107 1288 R CB 0.623 31.004 30.300 0.135 0.000 0.999 1288 R HN 0.522 nan 8.270 nan 0.000 0.460 1289 I N 2.785 123.355 120.570 -0.000 0.000 2.569 1289 I HA 0.301 4.502 4.170 0.051 0.000 0.290 1289 I C -0.810 175.178 176.117 -0.216 0.000 1.088 1289 I CA -0.601 60.694 61.300 -0.008 0.000 1.047 1289 I CB 1.880 39.879 38.000 -0.002 0.000 1.237 1289 I HN 0.576 nan 8.210 nan 0.000 0.421 1290 H N 5.193 124.311 119.070 0.079 0.000 2.947 1290 H HA 0.099 4.686 4.556 0.051 0.000 0.354 1290 H C -1.394 174.010 175.328 0.126 0.000 1.085 1290 H CA -0.583 55.525 56.048 0.100 0.000 1.253 1290 H CB 2.648 32.447 29.762 0.063 0.000 1.757 1290 H HN 0.644 nan 8.280 nan 0.000 0.523 1291 W N 4.782 126.137 121.300 0.091 0.000 2.381 1291 W HA 0.136 4.827 4.660 0.051 0.000 0.321 1291 W C -0.315 176.224 176.519 0.033 0.000 1.407 1291 W CA 0.783 58.152 57.345 0.041 0.000 1.274 1291 W CB 0.253 29.726 29.460 0.022 0.000 1.310 1291 W HN 1.041 nan 8.180 nan 0.000 0.551 1292 E N 1.309 121.193 120.200 -0.527 0.000 3.594 1292 E HA -0.199 4.182 4.350 0.051 0.000 0.145 1292 E C 0.355 176.816 176.600 -0.231 0.000 0.644 1292 E CA 0.825 57.008 56.400 -0.362 0.000 2.943 1292 E CB -1.320 28.303 29.700 -0.129 0.000 1.292 1292 E HN 0.378 nan 8.360 nan 0.000 0.749 1293 S N 0.810 116.448 115.700 -0.103 0.000 2.457 1293 S HA 0.451 4.952 4.470 0.051 0.000 0.294 1293 S C 0.895 175.415 174.600 -0.133 0.000 1.201 1293 S CA 0.270 58.432 58.200 -0.064 0.000 1.112 1293 S CB 1.339 64.558 63.200 0.032 0.000 1.018 1293 S HN 0.466 nan 8.310 nan 0.000 0.511 1294 A N 3.554 126.281 122.820 -0.156 0.000 2.235 1294 A HA 0.163 4.514 4.320 0.051 0.000 0.208 1294 A C 2.110 179.630 177.584 -0.106 0.000 1.172 1294 A CA 0.632 52.557 52.037 -0.186 0.000 0.786 1294 A CB -0.696 18.198 19.000 -0.176 0.000 0.804 1294 A HN 1.092 nan 8.150 nan 0.000 0.479 1295 S N -0.126 115.538 115.700 -0.059 0.000 2.438 1295 S HA 0.133 4.634 4.470 0.051 0.000 0.220 1295 S C 0.784 175.381 174.600 -0.004 0.000 1.045 1295 S CA 0.744 58.930 58.200 -0.024 0.000 0.940 1295 S CB -0.729 62.469 63.200 -0.005 0.000 0.863 1295 S HN 0.827 nan 8.310 nan 0.000 0.539 1296 L N 1.360 122.590 121.223 0.011 0.000 3.795 1296 L HA -0.101 4.270 4.340 0.051 0.000 0.489 1296 L C -0.511 176.376 176.870 0.027 0.000 1.259 1296 L CA 0.091 54.953 54.840 0.037 0.000 0.765 1296 L CB -1.805 40.290 42.059 0.061 0.000 1.519 1296 L HN 0.578 nan 8.230 nan 0.000 0.842 1297 L N -0.107 121.130 121.223 0.023 0.000 2.545 1297 L HA 0.766 5.137 4.340 0.051 0.000 0.258 1297 L C -0.383 176.497 176.870 0.017 0.000 0.942 1297 L CA -0.485 54.362 54.840 0.011 0.000 0.855 1297 L CB 1.778 43.841 42.059 0.008 0.000 1.374 1297 L HN 0.233 nan 8.230 nan 0.000 0.411 1298 R N 1.469 121.961 120.500 -0.013 0.000 2.795 1298 R HA 0.854 5.225 4.340 0.051 0.000 0.268 1298 R C -1.666 174.599 176.300 -0.058 0.000 1.041 1298 R CA -0.740 55.349 56.100 -0.017 0.000 0.927 1298 R CB 2.189 32.403 30.300 -0.143 0.000 1.235 1298 R HN 0.550 nan 8.270 nan 0.000 0.463 1299 S N 0.078 115.758 115.700 -0.034 0.000 2.552 1299 S HA 0.453 4.954 4.470 0.051 0.000 0.272 1299 S C -1.867 172.735 174.600 0.004 0.000 1.150 1299 S CA -0.780 57.397 58.200 -0.037 0.000 0.849 1299 S CB 1.671 64.866 63.200 -0.008 0.000 1.113 1299 S HN 0.395 nan 8.310 nan 0.000 0.458 1300 E N 1.922 122.103 120.200 -0.031 0.000 2.256 1300 E HA 0.445 4.825 4.350 0.051 0.000 0.268 1300 E C -1.472 175.091 176.600 -0.062 0.000 0.877 1300 E CA -0.510 55.873 56.400 -0.029 0.000 0.757 1300 E CB 1.926 31.595 29.700 -0.052 0.000 1.183 1300 E HN 0.671 nan 8.360 nan 0.000 0.418 1301 E N 1.104 121.275 120.200 -0.048 0.000 2.092 1301 E HA 0.328 4.708 4.350 0.051 0.000 0.271 1301 E C -0.908 175.652 176.600 -0.067 0.000 0.919 1301 E CA -0.341 56.031 56.400 -0.047 0.000 0.760 1301 E CB 1.274 30.962 29.700 -0.020 0.000 1.106 1301 E HN 0.173 nan 8.360 nan 0.000 0.408 1302 T N 2.896 117.394 114.554 -0.093 0.000 2.837 1302 T HA 0.243 4.623 4.350 0.051 0.000 0.285 1302 T C 0.987 175.660 174.700 -0.045 0.000 0.984 1302 T CA -0.965 61.078 62.100 -0.095 0.000 1.049 1302 T CB 1.630 70.407 68.868 -0.151 0.000 0.947 1302 T HN 0.198 nan 8.240 nan 0.000 0.472 1303 K N 1.483 121.865 120.400 -0.031 0.000 2.044 1303 K HA 0.102 4.453 4.320 0.051 0.000 0.204 1303 K C 0.820 177.418 176.600 -0.003 0.000 1.045 1303 K CA 0.775 57.056 56.287 -0.010 0.000 0.951 1303 K CB 0.123 32.619 32.500 -0.007 0.000 0.738 1303 K HN 0.652 nan 8.250 nan 0.000 0.443 1304 E N 2.068 122.264 120.200 -0.008 0.000 2.227 1304 E HA 0.032 4.413 4.350 0.051 0.000 0.282 1304 E C -0.503 176.101 176.600 0.007 0.000 1.015 1304 E CA -0.442 55.959 56.400 0.002 0.000 0.823 1304 E CB 0.692 30.393 29.700 0.002 0.000 1.081 1304 E HN -0.002 nan 8.360 nan 0.000 0.396 1305 N N 4.285 122.995 118.700 0.016 0.000 2.452 1305 N HA -0.017 4.754 4.740 0.051 0.000 0.266 1305 N C -1.092 174.449 175.510 0.053 0.000 1.209 1305 N CA 0.556 53.626 53.050 0.033 0.000 0.929 1305 N CB 0.482 38.976 38.487 0.012 0.000 1.063 1305 N HN 0.372 nan 8.380 nan 0.000 0.472 1306 E N 1.342 121.607 120.200 0.110 0.000 2.458 1306 E HA 0.469 4.849 4.350 0.051 0.000 0.278 1306 E C -0.629 176.101 176.600 0.217 0.000 1.004 1306 E CA -0.960 55.520 56.400 0.132 0.000 0.823 1306 E CB 1.004 30.775 29.700 0.119 0.000 1.396 1306 E HN 0.589 nan 8.360 nan 0.000 0.463 1307 G N 1.034 109.920 108.800 0.143 0.000 2.335 1307 G HA2 0.576 4.567 3.960 0.051 0.000 0.314 1307 G HA3 0.576 4.567 3.960 0.051 0.000 0.314 1307 G C -0.821 174.153 174.900 0.123 0.000 1.129 1307 G CA -0.435 44.700 45.100 0.059 0.000 0.912 1307 G HN 0.246 nan 8.290 nan 0.000 0.443 1308 F N 0.123 120.070 119.950 -0.005 0.000 2.569 1308 F HA 0.689 5.247 4.527 0.051 0.000 0.312 1308 F C -0.109 175.691 175.800 0.000 0.000 1.109 1308 F CA -1.300 56.700 58.000 -0.000 0.000 0.919 1308 F CB 1.374 40.375 39.000 0.002 0.000 1.211 1308 F HN 0.267 nan 8.300 nan 0.000 0.446 1309 T N 2.795 117.416 114.554 0.110 0.000 2.817 1309 T HA 0.526 4.907 4.350 0.051 0.000 0.293 1309 T C -0.393 174.364 174.700 0.096 0.000 0.964 1309 T CA -0.562 61.558 62.100 0.033 0.000 1.085 1309 T CB 1.470 70.361 68.868 0.039 0.000 0.921 1309 T HN 0.549 nan 8.240 nan 0.000 0.502 1310 V N 4.463 124.404 119.914 0.045 0.000 2.305 1310 V HA 0.275 4.426 4.120 0.051 0.000 0.275 1310 V C 0.535 176.653 176.094 0.041 0.000 1.020 1310 V CA -0.854 61.491 62.300 0.076 0.000 0.811 1310 V CB 0.821 32.693 31.823 0.083 0.000 1.031 1310 V HN 1.024 nan 8.190 nan 0.000 0.439 1311 T N 2.891 117.473 114.554 0.045 0.000 2.816 1311 T HA 0.801 5.182 4.350 0.051 0.000 0.282 1311 T C 0.160 174.880 174.700 0.032 0.000 0.993 1311 T CA -0.123 61.996 62.100 0.031 0.000 0.994 1311 T CB 1.712 70.599 68.868 0.031 0.000 1.025 1311 T HN 1.042 nan 8.240 nan 0.000 0.529 1312 A N 0.901 123.735 122.820 0.023 0.000 2.582 1312 A HA 0.650 5.001 4.320 0.051 0.000 0.297 1312 A C -1.308 176.284 177.584 0.014 0.000 1.059 1312 A CA -0.747 51.302 52.037 0.021 0.000 0.705 1312 A CB 1.380 20.391 19.000 0.018 0.000 1.279 1312 A HN 0.748 nan 8.150 nan 0.000 0.404 1313 E N 0.725 120.932 120.200 0.011 0.000 2.316 1313 E HA 0.517 4.898 4.350 0.051 0.000 0.254 1313 E C -0.082 176.518 176.600 0.001 0.000 0.902 1313 E CA 0.372 56.777 56.400 0.008 0.000 0.801 1313 E CB 1.576 31.283 29.700 0.011 0.000 1.270 1313 E HN 2.343 nan 8.360 nan 0.000 0.414 1314 G N 3.676 112.477 108.800 0.002 0.000 3.445 1314 G HA2 -0.191 3.800 3.960 0.051 0.000 0.634 1314 G HA3 -0.191 3.800 3.960 0.051 0.000 0.634 1314 G C -0.562 174.334 174.900 -0.006 0.000 0.909 1314 G CA 0.268 45.368 45.100 0.000 0.000 0.740 1314 G HN 0.627 nan 8.290 nan 0.000 0.441 1315 K N -0.601 119.797 120.400 -0.004 0.000 6.672 1315 K HA 0.386 4.737 4.320 0.051 0.000 0.968 1315 K C 1.739 178.332 176.600 -0.011 0.000 2.519 1315 K CA 1.896 58.178 56.287 -0.008 0.000 1.305 1315 K CB -1.106 31.388 32.500 -0.010 0.000 2.369 1315 K HN 2.753 nan 8.250 nan 0.000 0.287 1316 G N 0.258 109.048 108.800 -0.016 0.000 2.596 1316 G HA2 -0.240 3.751 3.960 0.051 0.000 0.295 1316 G HA3 -0.240 3.751 3.960 0.051 0.000 0.295 1316 G C -0.630 174.266 174.900 -0.008 0.000 1.240 1316 G CA 1.155 46.245 45.100 -0.016 0.000 0.985 1316 G HN 1.082 nan 8.290 nan 0.000 0.555 1317 Q N -0.915 118.885 119.800 0.001 0.000 2.599 1317 Q HA 0.522 4.893 4.340 0.051 0.000 0.248 1317 Q C -0.723 175.286 176.000 0.015 0.000 0.964 1317 Q CA 0.150 55.956 55.803 0.006 0.000 1.011 1317 Q CB 0.762 29.501 28.738 0.002 0.000 1.592 1317 Q HN 2.060 nan 8.270 nan 0.000 0.443 1318 G N 1.484 110.292 108.800 0.013 0.000 2.706 1318 G HA2 0.608 4.599 3.960 0.051 0.000 0.297 1318 G HA3 0.608 4.599 3.960 0.051 0.000 0.297 1318 G C -0.974 173.933 174.900 0.012 0.000 1.403 1318 G CA -0.400 44.709 45.100 0.016 0.000 0.954 1318 G HN 0.384 nan 8.290 nan 0.000 0.500 1319 T N 0.929 115.490 114.554 0.012 0.000 2.909 1319 T HA 0.470 4.851 4.350 0.051 0.000 0.289 1319 T C -0.496 174.205 174.700 0.003 0.000 1.005 1319 T CA -0.043 62.062 62.100 0.009 0.000 1.084 1319 T CB 1.429 70.303 68.868 0.010 0.000 0.975 1319 T HN 0.636 nan 8.240 nan 0.000 0.509 1320 L N 3.333 124.560 121.223 0.006 0.000 2.514 1320 L HA 0.454 4.825 4.340 0.051 0.000 0.257 1320 L C 0.105 176.986 176.870 0.018 0.000 1.101 1320 L CA -0.640 54.206 54.840 0.010 0.000 0.911 1320 L CB 0.613 42.680 42.059 0.014 0.000 1.162 1320 L HN 0.702 nan 8.230 nan 0.000 0.477 1321 S N 3.176 118.887 115.700 0.019 0.000 2.632 1321 S HA 0.861 5.362 4.470 0.051 0.000 0.267 1321 S C -0.355 174.275 174.600 0.049 0.000 1.276 1321 S CA -0.345 57.871 58.200 0.026 0.000 0.998 1321 S CB 1.645 64.857 63.200 0.020 0.000 0.953 1321 S HN 0.504 nan 8.310 nan 0.000 0.547 1322 V N 1.918 121.864 119.914 0.055 0.000 2.610 1322 V HA 0.560 4.711 4.120 0.051 0.000 0.298 1322 V C -0.963 175.171 176.094 0.067 0.000 1.067 1322 V CA -0.607 61.746 62.300 0.089 0.000 0.894 1322 V CB 1.518 33.412 31.823 0.119 0.000 1.015 1322 V HN 0.897 nan 8.190 nan 0.000 0.432 1323 V N 3.006 122.959 119.914 0.065 0.000 3.007 1323 V HA 0.831 4.982 4.120 0.051 0.000 0.311 1323 V C -0.216 175.913 176.094 0.058 0.000 1.120 1323 V CA -0.642 61.690 62.300 0.054 0.000 0.980 1323 V CB 2.705 34.554 31.823 0.042 0.000 1.033 1323 V HN 0.951 nan 8.190 nan 0.000 0.429 1324 T N 0.957 115.551 114.554 0.067 0.000 2.881 1324 T HA 0.701 5.081 4.350 0.051 0.000 0.291 1324 T C -0.725 174.062 174.700 0.146 0.000 0.990 1324 T CA -0.464 61.682 62.100 0.076 0.000 0.976 1324 T CB 1.483 70.371 68.868 0.033 0.000 0.970 1324 T HN 0.610 nan 8.240 nan 0.000 0.438 1325 M N 4.484 124.156 119.600 0.120 0.000 2.277 1325 M HA 0.653 5.164 4.480 0.051 0.000 0.350 1325 M C -1.068 175.347 176.300 0.191 0.000 1.180 1325 M CA -0.235 55.131 55.300 0.110 0.000 1.103 1325 M CB 0.601 33.214 32.600 0.020 0.000 1.577 1325 M HN 0.910 nan 8.290 nan 0.000 0.459 1326 Y N 0.110 120.322 120.300 -0.146 0.000 2.953 1326 Y HA 0.592 5.173 4.550 0.051 0.000 0.321 1326 Y C -1.718 173.974 175.900 -0.347 0.000 1.514 1326 Y CA -1.372 56.664 58.100 -0.106 0.000 1.091 1326 Y CB 1.146 39.593 38.460 -0.021 0.000 1.700 1326 Y HN 0.599 nan 8.280 nan 0.000 0.436 1327 H N 0.520 119.503 119.070 -0.146 0.000 2.930 1327 H HA 0.836 5.423 4.556 0.051 0.000 0.371 1327 H C -1.204 174.077 175.328 -0.078 0.000 1.169 1327 H CA -0.506 55.406 56.048 -0.226 0.000 1.157 1327 H CB 2.134 31.853 29.762 -0.072 0.000 1.789 1327 H HN 1.005 nan 8.280 nan 0.000 0.547 1328 A N 2.079 124.894 122.820 -0.008 0.000 2.532 1328 A HA 0.474 4.825 4.320 0.051 0.000 0.290 1328 A C -0.419 177.197 177.584 0.053 0.000 1.143 1328 A CA -0.910 51.173 52.037 0.076 0.000 0.728 1328 A CB 1.628 20.688 19.000 0.100 0.000 1.317 1328 A HN 0.594 nan 8.150 nan 0.000 0.414 1329 K N -0.327 120.108 120.400 0.058 0.000 2.344 1329 K HA 0.265 4.616 4.320 0.051 0.000 0.260 1329 K C 1.145 177.763 176.600 0.031 0.000 0.988 1329 K CA 0.521 56.833 56.287 0.042 0.000 0.909 1329 K CB 0.453 32.977 32.500 0.040 0.000 0.968 1329 K HN 0.720 nan 8.250 nan 0.000 0.505 1330 A N 2.030 124.866 122.820 0.027 0.000 2.081 1330 A HA 0.010 4.361 4.320 0.051 0.000 0.214 1330 A C -0.181 177.414 177.584 0.019 0.000 1.158 1330 A CA 0.605 52.656 52.037 0.023 0.000 0.724 1330 A CB -0.117 18.898 19.000 0.025 0.000 0.826 1330 A HN 0.801 nan 8.150 nan 0.000 0.463 1331 K N -1.058 119.353 120.400 0.019 0.000 6.951 1331 K HA -0.111 4.239 4.320 0.051 0.000 0.575 1331 K C -1.736 174.874 176.600 0.017 0.000 2.580 1331 K CA 0.837 57.133 56.287 0.016 0.000 2.030 1331 K CB -0.318 32.189 32.500 0.012 0.000 2.303 1331 K HN 0.358 nan 8.250 nan 0.000 0.183 1332 D N 3.153 123.563 120.400 0.015 0.000 3.139 1332 D HA 0.081 4.752 4.640 0.051 0.000 0.268 1332 D C -0.359 175.948 176.300 0.013 0.000 1.322 1332 D CA 0.530 54.539 54.000 0.016 0.000 0.940 1332 D CB 0.395 41.205 40.800 0.017 0.000 1.050 1332 D HN 0.298 nan 8.370 nan 0.000 0.503 1333 Q N 1.441 121.247 119.800 0.010 0.000 3.825 1333 Q HA 0.173 4.544 4.340 0.051 0.000 0.218 1333 Q C -0.253 175.749 176.000 0.005 0.000 0.882 1333 Q CA -0.142 55.664 55.803 0.005 0.000 0.766 1333 Q CB 0.518 29.255 28.738 -0.001 0.000 1.497 1333 Q HN 0.194 nan 8.270 nan 0.000 0.428 1334 L N -0.044 121.186 121.223 0.012 0.000 2.557 1334 L HA 0.296 4.666 4.340 0.051 0.000 0.153 1334 L C 0.953 177.831 176.870 0.013 0.000 1.415 1334 L CA 0.652 55.501 54.840 0.016 0.000 2.707 1334 L CB 0.115 42.189 42.059 0.025 0.000 2.796 1334 L HN 0.481 nan 8.230 nan 0.000 0.799 1335 T N -2.977 111.591 114.554 0.023 0.000 3.466 1335 T HA 0.282 4.662 4.350 0.051 0.000 0.297 1335 T C -0.463 174.258 174.700 0.035 0.000 1.640 1335 T CA -0.457 61.657 62.100 0.023 0.000 1.631 1335 T CB -0.301 68.582 68.868 0.025 0.000 0.928 1335 T HN 0.316 nan 8.240 nan 0.000 0.688 1336 c N 3.704 122.324 118.600 0.034 0.000 2.626 1336 c HA 0.280 4.881 4.570 0.051 0.000 0.356 1336 c C 2.077 176.183 174.090 0.026 0.000 1.398 1336 c CA -0.993 55.367 56.329 0.051 0.000 1.678 1336 c CB -1.750 40.801 42.510 0.068 0.000 2.430 1336 c HN 0.818 nan 8.230 nan 0.000 0.561 1337 N N 1.888 120.590 118.700 0.003 0.000 2.053 1337 N HA -0.212 4.559 4.740 0.051 0.000 0.200 1337 N C 0.786 176.231 175.510 -0.107 0.000 1.041 1337 N CA 1.574 54.597 53.050 -0.044 0.000 0.882 1337 N CB -0.160 38.303 38.487 -0.041 0.000 1.080 1337 N HN 0.495 nan 8.380 nan 0.000 0.481 1338 K N -0.250 120.079 120.400 -0.119 0.000 2.675 1338 K HA 0.276 4.627 4.320 0.051 0.000 0.213 1338 K C -0.860 175.523 176.600 -0.363 0.000 1.074 1338 K CA -0.170 55.906 56.287 -0.351 0.000 1.172 1338 K CB 0.022 32.280 32.500 -0.402 0.000 0.927 1338 K HN 0.203 nan 8.250 nan 0.000 0.471 1339 F N 0.660 120.548 119.950 -0.103 0.000 3.240 1339 F HA 0.098 4.655 4.527 0.051 0.000 0.370 1339 F C -0.691 175.103 175.800 -0.011 0.000 1.271 1339 F CA -1.087 56.913 58.000 0.001 0.000 1.224 1339 F CB 1.374 40.422 39.000 0.079 0.000 1.624 1339 F HN -0.123 nan 8.300 nan 0.000 0.658 1340 D N 3.843 124.344 120.400 0.168 0.000 2.351 1340 D HA 0.425 5.096 4.640 0.051 0.000 0.251 1340 D C -0.980 175.449 176.300 0.214 0.000 1.137 1340 D CA 0.381 54.449 54.000 0.113 0.000 0.879 1340 D CB 1.843 42.620 40.800 -0.038 0.000 1.181 1340 D HN 0.305 nan 8.370 nan 0.000 0.448 1341 L N 2.612 123.923 121.223 0.147 0.000 2.470 1341 L HA 0.413 4.784 4.340 0.051 0.000 0.268 1341 L C -1.186 175.737 176.870 0.087 0.000 0.964 1341 L CA -0.437 54.471 54.840 0.115 0.000 0.839 1341 L CB 1.618 43.719 42.059 0.069 0.000 1.276 1341 L HN 0.145 nan 8.230 nan 0.000 0.403 1342 K N 3.605 124.049 120.400 0.075 0.000 2.371 1342 K HA 0.893 5.243 4.320 0.051 0.000 0.251 1342 K C -1.770 174.846 176.600 0.026 0.000 0.934 1342 K CA -0.843 55.479 56.287 0.058 0.000 0.798 1342 K CB 2.675 35.211 32.500 0.060 0.000 1.204 1342 K HN 0.410 nan 8.250 nan 0.000 0.427 1343 V N 1.684 121.611 119.914 0.022 0.000 2.777 1343 V HA 0.458 4.609 4.120 0.051 0.000 0.306 1343 V C -0.920 175.160 176.094 -0.024 0.000 1.112 1343 V CA -0.779 61.505 62.300 -0.027 0.000 0.917 1343 V CB 2.174 33.996 31.823 -0.003 0.000 1.018 1343 V HN 0.917 nan 8.190 nan 0.000 0.426 1344 T N 4.286 118.782 114.554 -0.097 0.000 2.896 1344 T HA 0.802 5.182 4.350 0.051 0.000 0.297 1344 T C -1.253 173.363 174.700 -0.140 0.000 1.108 1344 T CA -0.529 61.528 62.100 -0.072 0.000 1.004 1344 T CB 2.445 71.282 68.868 -0.051 0.000 1.159 1344 T HN 0.532 nan 8.240 nan 0.000 0.499 1345 I N 1.661 122.181 120.570 -0.084 0.000 2.548 1345 I HA 0.657 4.857 4.170 0.051 0.000 0.287 1345 I C -1.613 174.464 176.117 -0.066 0.000 1.103 1345 I CA -0.502 60.736 61.300 -0.102 0.000 1.049 1345 I CB 1.398 39.365 38.000 -0.055 0.000 1.232 1345 I HN 0.522 nan 8.210 nan 0.000 0.429 1346 K N 7.418 127.780 120.400 -0.064 0.000 2.482 1346 K HA 0.748 5.098 4.320 0.051 0.000 0.257 1346 K C -2.674 173.918 176.600 -0.013 0.000 0.969 1346 K CA -1.544 54.722 56.287 -0.035 0.000 0.842 1346 K CB 1.673 34.154 32.500 -0.031 0.000 1.359 1346 K HN 0.214 nan 8.250 nan 0.000 0.441 1347 P HA 0.163 nan 4.420 nan 0.000 0.293 1347 P C -0.822 176.495 177.300 0.027 0.000 1.298 1347 P CA -0.508 62.608 63.100 0.027 0.000 0.757 1347 P CB 0.366 32.082 31.700 0.026 0.000 1.262 1348 A N 0.055 122.899 122.820 0.039 0.000 2.262 1348 A HA 0.535 4.886 4.320 0.051 0.000 0.273 1348 A C -1.793 175.810 177.584 0.033 0.000 1.202 1348 A CA -0.267 51.797 52.037 0.045 0.000 0.811 1348 A CB -1.920 17.112 19.000 0.054 0.000 1.159 1348 A HN 0.544 nan 8.150 nan 0.000 0.505 1349 P HA 0.450 nan 4.420 nan 0.000 0.309 1349 P C -0.709 176.606 177.300 0.026 0.000 1.302 1349 P CA -0.813 62.304 63.100 0.029 0.000 0.835 1349 P CB 0.639 32.359 31.700 0.034 0.000 1.324 1350 E N -0.778 119.435 120.200 0.020 0.000 2.422 1350 E HA 0.268 4.648 4.350 0.051 0.000 0.260 1350 E C -0.520 176.089 176.600 0.014 0.000 1.108 1350 E CA 0.481 56.891 56.400 0.015 0.000 0.943 1350 E CB 0.288 29.995 29.700 0.012 0.000 0.961 1350 E HN 0.380 nan 8.360 nan 0.000 0.443 1360 N N 1.787 120.487 118.700 0.000 0.000 2.437 1360 N HA 0.111 4.882 4.740 0.051 0.000 0.243 1360 N C -1.131 174.441 175.510 0.103 0.000 1.041 1360 N CA 0.018 53.099 53.050 0.052 0.000 0.940 1360 N CB 1.128 39.651 38.487 0.061 0.000 1.133 1360 N HN 0.279 nan 8.380 nan 0.000 0.506 1361 T N 1.770 116.415 114.554 0.152 0.000 2.912 1361 T HA 0.584 4.965 4.350 0.051 0.000 0.288 1361 T C -0.308 174.507 174.700 0.192 0.000 1.030 1361 T CA -0.736 61.505 62.100 0.235 0.000 1.020 1361 T CB 1.401 70.464 68.868 0.326 0.000 1.056 1361 T HN 0.294 nan 8.240 nan 0.000 0.480 1362 M N 2.200 121.920 119.600 0.200 0.000 2.691 1362 M HA 0.493 5.004 4.480 0.051 0.000 0.293 1362 M C -0.978 175.314 176.300 -0.013 0.000 1.259 1362 M CA -1.221 54.130 55.300 0.085 0.000 0.827 1362 M CB 2.353 34.998 32.600 0.074 0.000 1.753 1362 M HN 0.475 nan 8.290 nan 0.000 0.465 1363 I N 3.126 123.652 120.570 -0.073 0.000 2.307 1363 I HA 0.215 4.416 4.170 0.051 0.000 0.287 1363 I C -0.663 175.300 176.117 -0.256 0.000 1.054 1363 I CA -0.603 60.611 61.300 -0.143 0.000 1.218 1363 I CB 0.518 38.463 38.000 -0.092 0.000 1.398 1363 I HN 0.410 nan 8.210 nan 0.000 0.475 1364 L N 7.473 128.424 121.223 -0.453 0.000 2.315 1364 L HA 0.294 4.665 4.340 0.051 0.000 0.283 1364 L C 0.177 176.714 176.870 -0.555 0.000 1.089 1364 L CA 0.293 54.756 54.840 -0.629 0.000 0.833 1364 L CB 0.451 41.940 42.059 -0.950 0.000 1.170 1364 L HN 0.578 nan 8.230 nan 0.000 0.442 1365 E N 4.907 124.891 120.200 -0.361 0.000 2.183 1365 E HA 0.582 4.962 4.350 0.051 0.000 0.271 1365 E C -1.355 175.139 176.600 -0.176 0.000 0.919 1365 E CA -0.577 55.695 56.400 -0.213 0.000 0.781 1365 E CB 1.227 30.849 29.700 -0.130 0.000 1.140 1365 E HN 0.643 nan 8.360 nan 0.000 0.402 1366 I N 4.304 124.817 120.570 -0.094 0.000 2.468 1366 I HA 0.324 4.525 4.170 0.051 0.000 0.284 1366 I C -1.146 174.968 176.117 -0.006 0.000 1.038 1366 I CA -0.763 60.506 61.300 -0.052 0.000 1.083 1366 I CB 1.507 39.489 38.000 -0.030 0.000 1.223 1366 I HN 0.504 nan 8.210 nan 0.000 0.443 1367 c N 4.069 122.675 118.600 0.009 0.000 2.322 1367 c HA 0.726 5.326 4.570 0.051 0.000 0.324 1367 c C 0.404 174.539 174.090 0.076 0.000 1.249 1367 c CA -0.383 55.969 56.329 0.039 0.000 1.453 1367 c CB 1.203 43.732 42.510 0.031 0.000 2.145 1367 c HN 0.773 nan 8.230 nan 0.000 0.466 1368 T N 3.288 117.907 114.554 0.108 0.000 2.896 1368 T HA 0.850 5.231 4.350 0.051 0.000 0.297 1368 T C -0.800 174.063 174.700 0.271 0.000 1.108 1368 T CA -0.333 61.877 62.100 0.183 0.000 1.004 1368 T CB 1.312 70.269 68.868 0.148 0.000 1.159 1368 T HN 0.860 nan 8.240 nan 0.000 0.499 1369 R N 0.332 121.082 120.500 0.416 0.000 2.832 1369 R HA 0.337 4.708 4.340 0.051 0.000 0.283 1369 R C -2.219 174.344 176.300 0.438 0.000 0.998 1369 R CA -0.856 55.536 56.100 0.487 0.000 0.843 1369 R CB 1.065 31.579 30.300 0.357 0.000 1.332 1369 R HN 0.665 nan 8.270 nan 0.000 0.490 1370 Y N 1.429 121.769 120.300 0.067 0.000 2.331 1370 Y HA 0.508 5.089 4.550 0.051 0.000 0.334 1370 Y C -0.412 175.375 175.900 -0.188 0.000 0.960 1370 Y CA -0.687 57.199 58.100 -0.356 0.000 1.130 1370 Y CB 1.139 39.243 38.460 -0.594 0.000 1.164 1370 Y HN 0.345 nan 8.280 nan 0.000 0.458 1371 R N 2.918 123.086 120.500 -0.552 0.000 2.707 1371 R HA 0.412 4.783 4.340 0.051 0.000 0.270 1371 R C 0.094 176.129 176.300 -0.441 0.000 1.083 1371 R CA 0.466 56.319 56.100 -0.411 0.000 1.182 1371 R CB 0.284 30.369 30.300 -0.359 0.000 1.084 1371 R HN 1.097 nan 8.270 nan 0.000 0.528 1372 G N 2.284 110.971 108.800 -0.189 0.000 2.540 1372 G HA2 -0.218 3.773 3.960 0.051 0.000 0.260 1372 G HA3 -0.218 3.773 3.960 0.051 0.000 0.260 1372 G C -0.511 174.419 174.900 0.051 0.000 0.993 1372 G CA -0.135 44.919 45.100 -0.077 0.000 1.327 1372 G HN 0.687 nan 8.290 nan 0.000 0.485 1373 D N 1.596 122.039 120.400 0.072 0.000 2.597 1373 D HA 0.205 4.876 4.640 0.051 0.000 0.228 1373 D C 0.877 177.245 176.300 0.114 0.000 1.120 1373 D CA 0.361 54.434 54.000 0.122 0.000 1.083 1373 D CB 0.144 41.002 40.800 0.098 0.000 1.116 1373 D HN 0.586 nan 8.370 nan 0.000 0.487 1374 Q N 1.351 121.246 119.800 0.158 0.000 2.397 1374 Q HA 0.240 4.611 4.340 0.051 0.000 0.260 1374 Q C -0.780 175.264 176.000 0.073 0.000 1.002 1374 Q CA -0.888 54.977 55.803 0.104 0.000 0.716 1374 Q CB 0.596 29.388 28.738 0.091 0.000 1.258 1374 Q HN -0.044 nan 8.270 nan 0.000 0.477 1375 D N 2.785 123.204 120.400 0.032 0.000 4.599 1375 D HA 0.023 4.694 4.640 0.051 0.000 0.245 1375 D C 0.313 176.538 176.300 -0.125 0.000 1.474 1375 D CA 0.842 54.827 54.000 -0.025 0.000 0.960 1375 D CB -0.101 40.696 40.800 -0.005 0.000 1.280 1375 D HN 0.660 nan 8.370 nan 0.000 0.716 1376 A N 2.930 125.527 122.820 -0.372 0.000 2.555 1376 A HA 0.319 4.670 4.320 0.051 0.000 0.233 1376 A C 1.169 178.662 177.584 -0.151 0.000 1.060 1376 A CA 0.004 51.725 52.037 -0.526 0.000 0.759 1376 A CB 0.117 18.293 19.000 -1.373 0.000 0.995 1376 A HN 0.537 nan 8.150 nan 0.000 0.506 1377 T N 0.382 114.932 114.554 -0.007 0.000 2.816 1377 T HA 0.460 4.841 4.350 0.051 0.000 0.282 1377 T C 0.477 175.299 174.700 0.203 0.000 0.993 1377 T CA -0.197 61.963 62.100 0.100 0.000 0.994 1377 T CB 0.186 69.143 68.868 0.149 0.000 1.025 1377 T HN 1.049 nan 8.240 nan 0.000 0.529 1378 M N 1.772 121.477 119.600 0.175 0.000 2.108 1378 M HA -0.126 4.385 4.480 0.051 0.000 0.494 1378 M C -0.401 176.070 176.300 0.284 0.000 1.091 1378 M CA 1.279 56.690 55.300 0.184 0.000 0.586 1378 M CB -0.738 31.907 32.600 0.076 0.000 1.870 1378 M HN 0.914 nan 8.290 nan 0.000 0.573 1379 S N 2.989 118.805 115.700 0.193 0.000 2.596 1379 S HA 0.794 5.295 4.470 0.051 0.000 0.270 1379 S C -1.510 173.092 174.600 0.003 0.000 1.155 1379 S CA -0.863 57.412 58.200 0.125 0.000 0.827 1379 S CB 1.338 64.608 63.200 0.117 0.000 1.130 1379 S HN 0.584 nan 8.310 nan 0.000 0.467 1380 I N 1.631 122.035 120.570 -0.277 0.000 2.412 1380 I HA 0.511 4.712 4.170 0.051 0.000 0.296 1380 I C -0.878 174.945 176.117 -0.490 0.000 0.987 1380 I CA -0.332 60.689 61.300 -0.466 0.000 1.180 1380 I CB 1.192 38.675 38.000 -0.861 0.000 1.340 1380 I HN 0.452 nan 8.210 nan 0.000 0.455 1381 L N 5.476 126.485 121.223 -0.357 0.000 2.325 1381 L HA 0.439 4.810 4.340 0.051 0.000 0.281 1381 L C -0.816 175.901 176.870 -0.254 0.000 1.004 1381 L CA -0.488 54.186 54.840 -0.277 0.000 0.823 1381 L CB 1.410 43.361 42.059 -0.180 0.000 1.236 1381 L HN 0.471 nan 8.230 nan 0.000 0.415 1382 D N 5.488 125.777 120.400 -0.186 0.000 2.441 1382 D HA 0.354 5.025 4.640 0.051 0.000 0.231 1382 D C -0.676 175.593 176.300 -0.053 0.000 1.073 1382 D CA -0.294 53.639 54.000 -0.113 0.000 0.850 1382 D CB 1.149 41.930 40.800 -0.033 0.000 1.062 1382 D HN 0.272 nan 8.370 nan 0.000 0.524 1383 I N 3.003 123.556 120.570 -0.028 0.000 2.312 1383 I HA 0.124 4.325 4.170 0.051 0.000 0.290 1383 I C 0.769 176.923 176.117 0.062 0.000 1.008 1383 I CA -0.605 60.726 61.300 0.053 0.000 1.226 1383 I CB 1.359 39.425 38.000 0.110 0.000 1.371 1383 I HN 0.275 nan 8.210 nan 0.000 0.468 1384 S N 7.276 123.017 115.700 0.069 0.000 2.554 1384 S HA 0.602 5.102 4.470 0.051 0.000 0.278 1384 S C -0.204 174.470 174.600 0.123 0.000 1.242 1384 S CA -0.894 57.338 58.200 0.054 0.000 1.051 1384 S CB 1.540 64.734 63.200 -0.010 0.000 0.986 1384 S HN 0.454 nan 8.310 nan 0.000 0.502 1385 M N 2.181 121.851 119.600 0.117 0.000 2.613 1385 M HA 0.425 4.936 4.480 0.051 0.000 0.301 1385 M C -0.034 176.308 176.300 0.071 0.000 1.205 1385 M CA -0.467 54.937 55.300 0.174 0.000 0.950 1385 M CB 1.603 34.341 32.600 0.230 0.000 1.585 1385 M HN 0.678 nan 8.290 nan 0.000 0.490 1386 M N 0.884 120.529 119.600 0.074 0.000 2.249 1386 M HA 0.205 4.716 4.480 0.051 0.000 0.351 1386 M C 0.338 176.746 176.300 0.180 0.000 1.180 1386 M CA -0.564 54.737 55.300 0.002 0.000 1.127 1386 M CB 0.215 32.677 32.600 -0.230 0.000 1.546 1386 M HN 0.649 nan 8.290 nan 0.000 0.461 1387 T N 0.188 114.798 114.554 0.094 0.000 2.609 1387 T HA 0.223 4.604 4.350 0.051 0.000 0.257 1387 T C 1.028 175.779 174.700 0.085 0.000 1.032 1387 T CA 0.229 62.363 62.100 0.057 0.000 1.244 1387 T CB -1.020 67.854 68.868 0.010 0.000 1.003 1387 T HN 1.087 nan 8.240 nan 0.000 0.507 1388 G N 2.350 111.162 108.800 0.020 0.000 2.385 1388 G HA2 -0.160 3.831 3.960 0.051 0.000 0.294 1388 G HA3 -0.160 3.831 3.960 0.051 0.000 0.294 1388 G C -0.404 174.429 174.900 -0.111 0.000 1.070 1388 G CA -0.592 44.419 45.100 -0.148 0.000 1.172 1388 G HN 0.744 nan 8.290 nan 0.000 0.516 1389 F N -0.205 119.725 119.950 -0.034 0.000 2.588 1389 F HA 0.787 5.345 4.527 0.051 0.000 0.314 1389 F C 0.253 176.185 175.800 0.220 0.000 1.069 1389 F CA -0.017 58.034 58.000 0.085 0.000 0.931 1389 F CB 2.519 41.588 39.000 0.116 0.000 1.260 1389 F HN 0.688 nan 8.300 nan 0.000 0.465 1390 A N 3.350 126.450 122.820 0.467 0.000 2.459 1390 A HA 0.788 5.138 4.320 0.051 0.000 0.296 1390 A C -3.033 174.795 177.584 0.407 0.000 1.039 1390 A CA -1.802 50.515 52.037 0.466 0.000 0.698 1390 A CB 1.566 20.933 19.000 0.612 0.000 1.261 1390 A HN 0.286 nan 8.150 nan 0.000 0.405 1391 P HA 0.206 nan 4.420 nan 0.000 0.270 1391 P C -0.621 176.824 177.300 0.242 0.000 1.223 1391 P CA 0.050 63.342 63.100 0.320 0.000 0.785 1391 P CB 0.523 32.341 31.700 0.196 0.000 0.923 1392 D N -0.329 120.154 120.400 0.138 0.000 2.341 1392 D HA 0.047 4.718 4.640 0.051 0.000 0.245 1392 D C 1.048 177.422 176.300 0.124 0.000 1.106 1392 D CA 0.107 54.182 54.000 0.125 0.000 0.905 1392 D CB 0.632 41.394 40.800 -0.063 0.000 1.202 1392 D HN 0.299 nan 8.370 nan 0.000 0.426 1393 T N 0.559 115.241 114.554 0.213 0.000 2.737 1393 T HA -0.161 4.220 4.350 0.051 0.000 0.265 1393 T C 1.182 175.896 174.700 0.024 0.000 1.038 1393 T CA 1.024 63.151 62.100 0.045 0.000 1.144 1393 T CB -0.246 68.680 68.868 0.096 0.000 0.866 1393 T HN 0.381 nan 8.240 nan 0.000 0.434 1394 D N 1.869 122.312 120.400 0.073 0.000 2.092 1394 D HA -0.101 4.570 4.640 0.051 0.000 0.193 1394 D C 1.971 178.281 176.300 0.017 0.000 0.994 1394 D CA 1.428 55.454 54.000 0.043 0.000 0.828 1394 D CB -0.701 40.137 40.800 0.064 0.000 0.963 1394 D HN 0.324 nan 8.370 nan 0.000 0.450 1395 D N 0.398 120.815 120.400 0.028 0.000 2.133 1395 D HA -0.145 4.525 4.640 0.051 0.000 0.192 1395 D C 2.286 178.562 176.300 -0.040 0.000 1.001 1395 D CA 0.580 54.594 54.000 0.024 0.000 0.844 1395 D CB -0.422 40.430 40.800 0.087 0.000 0.944 1395 D HN 0.195 nan 8.370 nan 0.000 0.447 1396 L N 0.250 121.411 121.223 -0.103 0.000 2.046 1396 L HA -0.173 4.197 4.340 0.051 0.000 0.208 1396 L C 2.226 179.023 176.870 -0.123 0.000 1.077 1396 L CA 1.275 56.002 54.840 -0.188 0.000 0.747 1396 L CB -0.317 41.607 42.059 -0.225 0.000 0.896 1396 L HN 0.019 nan 8.230 nan 0.000 0.432 1397 K N -0.423 119.930 120.400 -0.078 0.000 2.211 1397 K HA -0.221 4.130 4.320 0.051 0.000 0.203 1397 K C 2.075 178.657 176.600 -0.031 0.000 1.050 1397 K CA 1.000 57.256 56.287 -0.052 0.000 0.945 1397 K CB -0.091 32.389 32.500 -0.034 0.000 0.732 1397 K HN 0.214 nan 8.250 nan 0.000 0.451 1398 Q N 1.314 121.100 119.800 -0.023 0.000 2.096 1398 Q HA -0.114 4.257 4.340 0.051 0.000 0.204 1398 Q C 1.772 177.764 176.000 -0.013 0.000 0.982 1398 Q CA 1.419 57.217 55.803 -0.008 0.000 0.850 1398 Q CB -0.010 28.731 28.738 0.004 0.000 0.901 1398 Q HN 0.289 nan 8.270 nan 0.000 0.422 1399 L N -0.593 120.609 121.223 -0.035 0.000 2.270 1399 L HA 0.092 4.462 4.340 0.051 0.000 0.210 1399 L C 2.328 179.180 176.870 -0.030 0.000 1.104 1399 L CA 0.513 55.332 54.840 -0.036 0.000 0.804 1399 L CB -0.456 41.558 42.059 -0.075 0.000 0.937 1399 L HN 0.275 nan 8.230 nan 0.000 0.450 1400 A N 0.574 123.369 122.820 -0.042 0.000 1.872 1400 A HA -0.165 4.186 4.320 0.051 0.000 0.214 1400 A C 1.861 179.465 177.584 0.032 0.000 1.187 1400 A CA 1.622 53.648 52.037 -0.020 0.000 0.614 1400 A CB -0.570 18.400 19.000 -0.050 0.000 0.826 1400 A HN 0.490 nan 8.150 nan 0.000 0.442 1401 N N -0.279 118.432 118.700 0.018 0.000 2.398 1401 N HA 0.112 4.883 4.740 0.051 0.000 0.188 1401 N C 0.656 176.180 175.510 0.023 0.000 1.122 1401 N CA -0.015 53.051 53.050 0.027 0.000 0.866 1401 N CB 0.151 38.648 38.487 0.017 0.000 0.970 1401 N HN 0.428 nan 8.380 nan 0.000 0.462 1402 G N 1.103 109.916 108.800 0.020 0.000 2.364 1402 G HA2 0.246 4.236 3.960 0.051 0.000 0.267 1402 G HA3 0.246 4.236 3.960 0.051 0.000 0.267 1402 G C -0.018 174.899 174.900 0.029 0.000 1.233 1402 G CA -0.222 44.891 45.100 0.020 0.000 0.885 1402 G HN -0.044 nan 8.290 nan 0.000 0.490 1403 V N 3.057 122.986 119.914 0.025 0.000 3.003 1403 V HA 0.228 4.378 4.120 0.051 0.000 0.305 1403 V C 0.758 176.869 176.094 0.028 0.000 1.078 1403 V CA 0.388 62.704 62.300 0.026 0.000 1.083 1403 V CB 1.153 32.985 31.823 0.016 0.000 1.039 1403 V HN 0.979 nan 8.190 nan 0.000 0.481 1404 D N 2.265 122.683 120.400 0.029 0.000 2.981 1404 D HA -0.129 4.542 4.640 0.051 0.000 0.223 1404 D C 0.042 176.374 176.300 0.053 0.000 1.151 1404 D CA 1.096 55.115 54.000 0.033 0.000 0.827 1404 D CB -0.644 40.172 40.800 0.027 0.000 1.101 1404 D HN 0.691 nan 8.370 nan 0.000 0.426 1405 R N -1.040 119.504 120.500 0.073 0.000 2.716 1405 R HA 0.609 4.979 4.340 0.051 0.000 0.271 1405 R C -1.488 174.923 176.300 0.186 0.000 1.028 1405 R CA -0.842 55.320 56.100 0.104 0.000 0.883 1405 R CB 2.124 32.460 30.300 0.059 0.000 1.250 1405 R HN 0.038 nan 8.270 nan 0.000 0.465 1406 Y N 1.419 121.743 120.300 0.040 0.000 2.480 1406 Y HA 0.561 5.142 4.550 0.051 0.000 0.329 1406 Y C -1.888 174.067 175.900 0.092 0.000 1.127 1406 Y CA -0.707 57.431 58.100 0.062 0.000 1.037 1406 Y CB 1.453 39.958 38.460 0.074 0.000 1.320 1406 Y HN 0.510 nan 8.280 nan 0.000 0.446 1407 I N 5.154 125.372 120.570 -0.587 0.000 2.569 1407 I HA 0.382 4.583 4.170 0.051 0.000 0.290 1407 I C -0.554 175.088 176.117 -0.791 0.000 1.088 1407 I CA -0.979 59.940 61.300 -0.634 0.000 1.047 1407 I CB 2.461 40.263 38.000 -0.330 0.000 1.237 1407 I HN 0.701 nan 8.210 nan 0.000 0.421 1408 S N 4.241 119.555 115.700 -0.644 0.000 2.580 1408 S HA 0.162 4.663 4.470 0.051 0.000 0.274 1408 S C 0.954 175.515 174.600 -0.065 0.000 1.329 1408 S CA -0.754 57.264 58.200 -0.303 0.000 1.036 1408 S CB 1.666 64.875 63.200 0.015 0.000 0.919 1408 S HN 0.806 nan 8.310 nan 0.000 0.515 1409 K N 0.727 121.150 120.400 0.039 0.000 2.286 1409 K HA -0.240 4.111 4.320 0.051 0.000 0.203 1409 K C 1.570 178.198 176.600 0.046 0.000 1.045 1409 K CA 1.363 57.672 56.287 0.037 0.000 0.935 1409 K CB -0.311 32.226 32.500 0.063 0.000 0.737 1409 K HN 0.812 nan 8.250 nan 0.000 0.460 1410 Y N 1.114 121.395 120.300 -0.031 0.000 2.109 1410 Y HA -0.222 4.358 4.550 0.051 0.000 0.285 1410 Y C 2.197 178.054 175.900 -0.071 0.000 1.131 1410 Y CA 2.109 60.187 58.100 -0.037 0.000 1.121 1410 Y CB -0.121 38.333 38.460 -0.010 0.000 0.987 1410 Y HN 0.153 nan 8.280 nan 0.000 0.495 1411 E N 0.067 120.384 120.200 0.194 0.000 2.268 1411 E HA -0.135 4.246 4.350 0.051 0.000 0.195 1411 E C 1.704 178.236 176.600 -0.113 0.000 0.995 1411 E CA 1.030 57.466 56.400 0.059 0.000 0.836 1411 E CB -0.303 29.411 29.700 0.023 0.000 0.763 1411 E HN 0.473 nan 8.360 nan 0.000 0.491 1412 L N 0.602 121.749 121.223 -0.127 0.000 1.993 1412 L HA -0.080 4.291 4.340 0.051 0.000 0.206 1412 L C 1.716 178.465 176.870 -0.202 0.000 1.074 1412 L CA 1.823 56.563 54.840 -0.168 0.000 0.746 1412 L CB -0.673 41.307 42.059 -0.131 0.000 0.896 1412 L HN 0.057 nan 8.230 nan 0.000 0.435 1413 D N -0.420 119.872 120.400 -0.180 0.000 2.315 1413 D HA -0.142 4.529 4.640 0.051 0.000 0.211 1413 D C 1.029 177.180 176.300 -0.248 0.000 0.977 1413 D CA 0.626 54.511 54.000 -0.191 0.000 0.894 1413 D CB -0.284 40.420 40.800 -0.160 0.000 0.910 1413 D HN 0.037 nan 8.370 nan 0.000 0.490 1414 K N 0.468 120.684 120.400 -0.306 0.000 2.508 1414 K HA 0.150 4.501 4.320 0.051 0.000 0.273 1414 K C -0.064 176.374 176.600 -0.269 0.000 0.964 1414 K CA 0.037 56.141 56.287 -0.305 0.000 0.948 1414 K CB 0.344 32.685 32.500 -0.265 0.000 0.917 1414 K HN -0.004 nan 8.250 nan 0.000 0.512 1415 A N 2.539 125.231 122.820 -0.213 0.000 2.332 1415 A HA 0.276 4.627 4.320 0.051 0.000 0.258 1415 A C 0.441 177.894 177.584 -0.218 0.000 1.087 1415 A CA -0.252 51.678 52.037 -0.178 0.000 0.802 1415 A CB -0.075 18.862 19.000 -0.105 0.000 1.042 1415 A HN 0.736 nan 8.150 nan 0.000 0.489 1416 F N 0.674 120.534 119.950 -0.151 0.000 2.407 1416 F HA -0.083 4.475 4.527 0.051 0.000 0.299 1416 F C 2.749 178.345 175.800 -0.341 0.000 1.097 1416 F CA 1.667 59.535 58.000 -0.220 0.000 1.422 1416 F CB -0.278 38.558 39.000 -0.273 0.000 1.067 1416 F HN 0.578 nan 8.300 nan 0.000 0.539 1417 S N -1.073 114.573 115.700 -0.089 0.000 2.380 1417 S HA -0.190 4.311 4.470 0.051 0.000 0.229 1417 S C 0.496 175.114 174.600 0.031 0.000 1.043 1417 S CA 1.602 59.747 58.200 -0.092 0.000 1.038 1417 S CB -0.239 62.926 63.200 -0.057 0.000 0.872 1417 S HN 0.253 nan 8.310 nan 0.000 0.456 1418 D N -0.269 120.148 120.400 0.029 0.000 2.319 1418 D HA 0.251 4.921 4.640 0.051 0.000 0.237 1418 D C -0.832 175.498 176.300 0.049 0.000 1.353 1418 D CA -0.143 53.908 54.000 0.085 0.000 0.992 1418 D CB 0.974 41.805 40.800 0.051 0.000 1.368 1418 D HN 0.161 nan 8.370 nan 0.000 0.564 1419 R N 2.610 123.175 120.500 0.109 0.000 2.738 1419 R HA 0.106 4.477 4.340 0.051 0.000 0.280 1419 R C 0.702 177.085 176.300 0.138 0.000 1.456 1419 R CA -0.249 55.896 56.100 0.075 0.000 1.612 1419 R CB -0.010 30.300 30.300 0.017 0.000 1.286 1419 R HN 0.184 nan 8.270 nan 0.000 0.660 1420 N N -0.853 117.920 118.700 0.121 0.000 2.405 1420 N HA -0.048 4.723 4.740 0.051 0.000 0.175 1420 N C 0.030 175.587 175.510 0.079 0.000 1.051 1420 N CA 0.357 53.478 53.050 0.119 0.000 0.899 1420 N CB 0.465 39.006 38.487 0.089 0.000 1.000 1420 N HN 0.240 nan 8.380 nan 0.000 0.451 1421 T N -1.319 113.264 114.554 0.048 0.000 2.893 1421 T HA 0.673 5.054 4.350 0.051 0.000 0.291 1421 T C -0.790 173.914 174.700 0.006 0.000 1.028 1421 T CA -0.968 61.146 62.100 0.024 0.000 0.995 1421 T CB 2.164 71.032 68.868 -0.000 0.000 1.051 1421 T HN 0.167 nan 8.240 nan 0.000 0.470 1422 L N 1.470 122.680 121.223 -0.022 0.000 2.588 1422 L HA 0.705 5.076 4.340 0.051 0.000 0.263 1422 L C -2.115 174.673 176.870 -0.136 0.000 0.935 1422 L CA -0.741 54.055 54.840 -0.074 0.000 0.891 1422 L CB 1.466 43.484 42.059 -0.068 0.000 1.318 1422 L HN 0.887 nan 8.230 nan 0.000 0.409 1423 I N 5.451 125.885 120.570 -0.227 0.000 2.354 1423 I HA 0.460 4.661 4.170 0.051 0.000 0.292 1423 I C -0.483 175.345 176.117 -0.481 0.000 0.989 1423 I CA -0.531 60.543 61.300 -0.378 0.000 1.188 1423 I CB 1.737 39.420 38.000 -0.528 0.000 1.342 1423 I HN 0.564 nan 8.210 nan 0.000 0.457 1424 I N 6.899 127.229 120.570 -0.401 0.000 2.304 1424 I HA 0.234 4.435 4.170 0.051 0.000 0.291 1424 I C -0.582 175.334 176.117 -0.336 0.000 1.018 1424 I CA -0.414 60.693 61.300 -0.322 0.000 1.260 1424 I CB 0.275 38.161 38.000 -0.190 0.000 1.390 1424 I HN 0.380 nan 8.210 nan 0.000 0.475 1425 Y N 6.366 126.633 120.300 -0.054 0.000 2.304 1425 Y HA 0.542 5.123 4.550 0.051 0.000 0.327 1425 Y C 0.176 176.100 175.900 0.040 0.000 1.209 1425 Y CA -0.370 57.748 58.100 0.030 0.000 1.299 1425 Y CB 0.878 39.462 38.460 0.207 0.000 1.249 1425 Y HN 0.351 nan 8.280 nan 0.000 0.519 1426 L N 1.760 123.098 121.223 0.191 0.000 2.371 1426 L HA 0.353 4.723 4.340 0.051 0.000 0.262 1426 L C -0.355 176.582 176.870 0.112 0.000 1.006 1426 L CA -0.730 54.183 54.840 0.121 0.000 0.818 1426 L CB 2.083 44.186 42.059 0.073 0.000 1.354 1426 L HN 0.585 nan 8.230 nan 0.000 0.415 1427 D N 0.408 120.856 120.400 0.080 0.000 2.277 1427 D HA 0.031 4.702 4.640 0.051 0.000 0.209 1427 D C -0.243 176.089 176.300 0.052 0.000 0.970 1427 D CA 1.042 55.072 54.000 0.050 0.000 0.874 1427 D CB 0.399 41.214 40.800 0.025 0.000 0.982 1427 D HN 0.419 nan 8.370 nan 0.000 0.504 1428 K N -1.017 119.417 120.400 0.057 0.000 2.546 1428 K HA 0.652 5.003 4.320 0.051 0.000 0.264 1428 K C -1.485 175.153 176.600 0.063 0.000 0.937 1428 K CA -1.117 55.197 56.287 0.044 0.000 0.833 1428 K CB 2.648 35.164 32.500 0.026 0.000 1.378 1428 K HN -0.203 nan 8.250 nan 0.000 0.432 1429 V N 1.171 121.114 119.914 0.049 0.000 3.055 1429 V HA 0.310 4.461 4.120 0.051 0.000 0.249 1429 V C -1.095 175.031 176.094 0.054 0.000 1.006 1429 V CA -0.016 62.348 62.300 0.106 0.000 0.960 1429 V CB 0.980 32.950 31.823 0.244 0.000 1.030 1429 V HN 0.984 nan 8.190 nan 0.000 0.508 1430 S N 3.546 119.297 115.700 0.084 0.000 2.307 1430 S HA 0.470 4.970 4.470 0.051 0.000 0.252 1430 S C 0.522 175.274 174.600 0.253 0.000 1.204 1430 S CA 0.843 59.122 58.200 0.131 0.000 1.018 1430 S CB 0.743 63.997 63.200 0.091 0.000 1.077 1430 S HN 1.087 nan 8.310 nan 0.000 0.454 1431 H N -0.803 118.334 119.070 0.112 0.000 2.865 1431 H HA 0.466 5.053 4.556 0.051 0.000 0.247 1431 H C 1.275 176.636 175.328 0.054 0.000 1.181 1431 H CA 0.326 56.420 56.048 0.077 0.000 0.975 1431 H CB -0.136 29.655 29.762 0.048 0.000 1.899 1431 H HN 0.352 nan 8.280 nan 0.000 0.651 1432 S N -0.532 115.184 115.700 0.028 0.000 2.353 1432 S HA -0.121 4.379 4.470 0.051 0.000 0.222 1432 S C 0.954 175.498 174.600 -0.093 0.000 1.035 1432 S CA 1.382 59.572 58.200 -0.017 0.000 1.025 1432 S CB 0.294 63.501 63.200 0.012 0.000 0.902 1432 S HN 0.569 nan 8.310 nan 0.000 0.440 1433 E N 0.161 120.305 120.200 -0.094 0.000 2.808 1433 E HA 0.418 4.799 4.350 0.051 0.000 0.213 1433 E C -1.301 175.199 176.600 -0.167 0.000 0.784 1433 E CA -0.691 55.644 56.400 -0.108 0.000 1.154 1433 E CB 0.627 30.304 29.700 -0.039 0.000 1.693 1433 E HN -0.021 nan 8.360 nan 0.000 0.422 1434 D N 0.492 120.845 120.400 -0.077 0.000 2.757 1434 D HA 0.229 4.900 4.640 0.051 0.000 0.249 1434 D C -1.650 174.666 176.300 0.026 0.000 1.168 1434 D CA -0.432 53.561 54.000 -0.012 0.000 0.870 1434 D CB 1.378 42.178 40.800 -0.001 0.000 1.411 1434 D HN 0.102 nan 8.370 nan 0.000 0.525 1435 D N 1.624 122.061 120.400 0.062 0.000 2.359 1435 D HA 0.136 4.806 4.640 0.051 0.000 0.250 1435 D C -0.386 175.943 176.300 0.048 0.000 1.264 1435 D CA 0.053 54.086 54.000 0.055 0.000 0.911 1435 D CB 0.239 41.083 40.800 0.072 0.000 1.056 1435 D HN 0.191 nan 8.370 nan 0.000 0.499 1436 c N 4.016 122.636 118.600 0.033 0.000 2.295 1436 c HA 0.692 5.293 4.570 0.051 0.000 0.331 1436 c C -0.132 173.975 174.090 0.028 0.000 1.280 1436 c CA -0.664 55.680 56.329 0.026 0.000 1.746 1436 c CB -0.787 41.733 42.510 0.016 0.000 2.328 1436 c HN 0.512 nan 8.230 nan 0.000 0.521 1437 L N 2.558 123.800 121.223 0.032 0.000 2.469 1437 L HA 1.089 5.459 4.340 0.051 0.000 0.256 1437 L C -0.535 176.370 176.870 0.057 0.000 1.006 1437 L CA -0.611 54.261 54.840 0.053 0.000 0.832 1437 L CB 1.362 43.462 42.059 0.069 0.000 1.421 1437 L HN 0.716 nan 8.230 nan 0.000 0.410 1438 A N 1.040 123.917 122.820 0.094 0.000 2.609 1438 A HA 0.970 5.321 4.320 0.051 0.000 0.291 1438 A C -1.449 176.250 177.584 0.192 0.000 1.096 1438 A CA -0.285 51.777 52.037 0.042 0.000 0.684 1438 A CB 1.469 20.435 19.000 -0.057 0.000 1.282 1438 A HN 1.607 nan 8.150 nan 0.000 0.412 1439 F N -1.593 118.320 119.950 -0.062 0.000 2.779 1439 F HA 0.777 5.335 4.527 0.051 0.000 0.316 1439 F C -0.931 174.836 175.800 -0.054 0.000 1.164 1439 F CA -1.164 56.804 58.000 -0.054 0.000 0.924 1439 F CB 1.045 40.012 39.000 -0.054 0.000 1.348 1439 F HN 0.420 nan 8.300 nan 0.000 0.467 1440 K N 1.496 121.957 120.400 0.102 0.000 2.183 1440 K HA 0.638 4.989 4.320 0.051 0.000 0.274 1440 K C -1.062 175.537 176.600 -0.001 0.000 1.009 1440 K CA -0.923 55.348 56.287 -0.027 0.000 0.888 1440 K CB 1.957 34.412 32.500 -0.074 0.000 1.078 1440 K HN 0.667 nan 8.250 nan 0.000 0.459 1441 V N 0.783 120.719 119.914 0.037 0.000 2.275 1441 V HA 0.284 4.434 4.120 0.051 0.000 0.272 1441 V C -0.451 175.824 176.094 0.301 0.000 1.028 1441 V CA -0.979 61.459 62.300 0.230 0.000 0.810 1441 V CB 0.362 32.397 31.823 0.352 0.000 1.043 1441 V HN 0.662 nan 8.190 nan 0.000 0.453 1442 H N 3.429 122.634 119.070 0.225 0.000 3.026 1442 H HA 0.223 4.810 4.556 0.051 0.000 0.289 1442 H C 0.338 175.634 175.328 -0.053 0.000 1.022 1442 H CA 0.548 56.647 56.048 0.085 0.000 1.477 1442 H CB 0.846 30.649 29.762 0.069 0.000 1.510 1442 H HN 0.849 nan 8.280 nan 0.000 0.535 1443 Q N 3.194 122.856 119.800 -0.230 0.000 2.304 1443 Q HA 0.062 4.433 4.340 0.051 0.000 0.260 1443 Q C -0.242 175.647 176.000 -0.185 0.000 0.965 1443 Q CA -0.258 55.187 55.803 -0.596 0.000 0.898 1443 Q CB 0.421 28.658 28.738 -0.835 0.000 1.196 1443 Q HN 0.819 nan 8.270 nan 0.000 0.402 1444 Y N 2.031 122.221 120.300 -0.184 0.000 2.540 1444 Y HA 0.431 5.012 4.550 0.051 0.000 0.257 1444 Y C -1.072 174.761 175.900 -0.112 0.000 1.090 1444 Y CA -0.738 57.272 58.100 -0.149 0.000 1.242 1444 Y CB 0.656 39.023 38.460 -0.156 0.000 1.325 1444 Y HN 0.408 nan 8.280 nan 0.000 0.544 1445 F N 3.058 122.751 119.950 -0.430 0.000 2.532 1445 F HA 0.453 5.011 4.527 0.051 0.000 0.365 1445 F C -0.470 175.209 175.800 -0.202 0.000 1.112 1445 F CA -1.969 55.863 58.000 -0.280 0.000 1.082 1445 F CB 0.543 39.302 39.000 -0.402 0.000 1.319 1445 F HN -0.023 nan 8.300 nan 0.000 0.457 1446 N N 2.731 121.509 118.700 0.131 0.000 2.513 1446 N HA 0.439 5.210 4.740 0.051 0.000 0.268 1446 N C -1.131 174.410 175.510 0.053 0.000 1.180 1446 N CA 0.389 53.469 53.050 0.051 0.000 0.948 1446 N CB 1.293 39.801 38.487 0.036 0.000 1.083 1446 N HN 0.444 nan 8.380 nan 0.000 0.455 1447 V N 2.222 122.149 119.914 0.021 0.000 3.167 1447 V HA 0.235 4.386 4.120 0.051 0.000 0.293 1447 V C -0.907 175.197 176.094 0.016 0.000 1.379 1447 V CA -0.910 61.392 62.300 0.003 0.000 1.019 1447 V CB 1.876 33.673 31.823 -0.043 0.000 1.115 1447 V HN 0.841 nan 8.190 nan 0.000 0.442 1448 E N 4.993 125.196 120.200 0.006 0.000 2.408 1448 E HA 0.431 4.812 4.350 0.051 0.000 0.259 1448 E C 0.623 177.227 176.600 0.006 0.000 1.110 1448 E CA 0.344 56.749 56.400 0.009 0.000 0.929 1448 E CB 1.089 30.787 29.700 -0.003 0.000 0.971 1448 E HN 0.759 nan 8.360 nan 0.000 0.438 1449 L N 0.002 121.234 121.223 0.014 0.000 3.566 1449 L HA -0.395 3.976 4.340 0.051 0.000 0.071 1449 L C 0.845 177.720 176.870 0.008 0.000 4.379 1449 L CA 1.518 56.356 54.840 -0.004 0.000 0.580 1449 L CB -2.584 39.446 42.059 -0.048 0.000 3.524 1449 L HN 1.045 nan 8.230 nan 0.000 0.876 1450 I N -1.696 118.869 120.570 -0.008 0.000 8.934 1450 I HA -0.275 3.925 4.170 0.051 0.000 0.126 1450 I C -0.067 175.988 176.117 -0.103 0.000 1.836 1450 I CA 0.857 62.155 61.300 -0.002 0.000 2.081 1450 I CB -0.233 37.833 38.000 0.109 0.000 3.873 1450 I HN 0.486 nan 8.210 nan 0.000 0.183 1451 Q N 6.453 126.190 119.800 -0.105 0.000 2.299 1451 Q HA 0.590 4.960 4.340 0.051 0.000 0.246 1451 Q C -2.284 173.606 176.000 -0.182 0.000 0.935 1451 Q CA -1.627 54.077 55.803 -0.165 0.000 0.887 1451 Q CB 1.171 29.851 28.738 -0.097 0.000 1.223 1451 Q HN 0.556 nan 8.270 nan 0.000 0.439 1452 P HA 0.185 nan 4.420 nan 0.000 0.275 1452 P C -0.712 176.412 177.300 -0.293 0.000 1.266 1452 P CA -0.288 62.653 63.100 -0.265 0.000 0.793 1452 P CB 0.574 32.160 31.700 -0.190 0.000 1.074 1453 G N -1.445 106.949 108.800 -0.677 0.000 2.938 1453 G HA2 0.691 4.682 3.960 0.051 0.000 0.258 1453 G HA3 0.691 4.682 3.960 0.051 0.000 0.258 1453 G C -1.609 172.987 174.900 -0.507 0.000 1.356 1453 G CA -0.765 43.961 45.100 -0.623 0.000 1.052 1453 G HN 0.614 nan 8.290 nan 0.000 0.550 1454 A N -1.132 121.574 122.820 -0.191 0.000 2.500 1454 A HA 0.572 4.923 4.320 0.051 0.000 0.291 1454 A C -1.136 176.435 177.584 -0.023 0.000 1.048 1454 A CA -0.361 51.532 52.037 -0.239 0.000 0.791 1454 A CB 1.267 19.924 19.000 -0.570 0.000 1.309 1454 A HN 1.065 nan 8.150 nan 0.000 0.397 1455 V N 2.319 122.244 119.914 0.018 0.000 2.539 1455 V HA 0.704 4.855 4.120 0.051 0.000 0.292 1455 V C 0.245 176.284 176.094 -0.092 0.000 1.045 1455 V CA -0.448 61.839 62.300 -0.021 0.000 0.945 1455 V CB 1.734 33.547 31.823 -0.015 0.000 0.993 1455 V HN 0.863 nan 8.190 nan 0.000 0.464 1456 K N 3.786 124.132 120.400 -0.090 0.000 2.687 1456 K HA 0.535 4.886 4.320 0.051 0.000 0.249 1456 K C -1.305 175.233 176.600 -0.102 0.000 0.994 1456 K CA -0.477 55.767 56.287 -0.071 0.000 0.913 1456 K CB 1.916 34.404 32.500 -0.020 0.000 1.202 1456 K HN 0.590 nan 8.250 nan 0.000 0.460 1457 V N 1.493 121.283 119.914 -0.206 0.000 2.617 1457 V HA 0.736 4.887 4.120 0.051 0.000 0.298 1457 V C -0.835 175.063 176.094 -0.327 0.000 1.048 1457 V CA -0.540 61.486 62.300 -0.456 0.000 0.964 1457 V CB 0.328 31.637 31.823 -0.857 0.000 1.004 1457 V HN 0.720 nan 8.190 nan 0.000 0.466 1458 Y N 0.781 120.871 120.300 -0.350 0.000 2.592 1458 Y HA 0.880 5.461 4.550 0.051 0.000 0.334 1458 Y C -0.157 175.746 175.900 0.006 0.000 1.136 1458 Y CA -1.107 56.910 58.100 -0.139 0.000 1.042 1458 Y CB 0.915 39.342 38.460 -0.054 0.000 1.325 1458 Y HN 0.956 nan 8.280 nan 0.000 0.457 1459 A N 1.813 124.817 122.820 0.306 0.000 2.371 1459 A HA 0.308 4.659 4.320 0.051 0.000 0.257 1459 A C 0.441 178.150 177.584 0.209 0.000 1.089 1459 A CA -0.115 52.050 52.037 0.213 0.000 0.794 1459 A CB -0.229 18.791 19.000 0.033 0.000 1.029 1459 A HN 1.218 nan 8.150 nan 0.000 0.488 1460 Y N 0.676 121.119 120.300 0.238 0.000 2.403 1460 Y HA -0.227 4.354 4.550 0.051 0.000 0.291 1460 Y C 1.295 177.346 175.900 0.252 0.000 1.143 1460 Y CA 1.670 59.935 58.100 0.276 0.000 1.257 1460 Y CB -0.807 37.786 38.460 0.223 0.000 0.984 1460 Y HN 0.700 nan 8.280 nan 0.000 0.550 1461 Y N 0.340 120.151 120.300 -0.815 0.000 2.462 1461 Y HA 0.394 4.975 4.550 0.051 0.000 0.293 1461 Y C -0.510 175.276 175.900 -0.191 0.000 1.195 1461 Y CA -0.460 57.251 58.100 -0.649 0.000 1.276 1461 Y CB -0.602 37.423 38.460 -0.724 0.000 1.082 1461 Y HN 0.244 nan 8.280 nan 0.000 0.514 1462 N N 0.566 119.088 118.700 -0.296 0.000 2.999 1462 N HA 0.067 4.838 4.740 0.051 0.000 0.244 1462 N C -0.969 174.467 175.510 -0.122 0.000 1.106 1462 N CA -0.370 52.576 53.050 -0.175 0.000 1.018 1462 N CB 0.956 39.320 38.487 -0.204 0.000 1.600 1462 N HN 0.163 nan 8.380 nan 0.000 0.621 1463 L N 3.257 124.378 121.223 -0.169 0.000 2.599 1463 L HA 0.259 4.629 4.340 0.051 0.000 0.230 1463 L C 1.452 178.197 176.870 -0.209 0.000 1.141 1463 L CA 1.317 55.946 54.840 -0.351 0.000 0.877 1463 L CB -0.366 41.432 42.059 -0.435 0.000 1.009 1463 L HN 0.627 nan 8.230 nan 0.000 0.447 1464 E N -0.167 119.966 120.200 -0.112 0.000 2.011 1464 E HA -0.111 4.270 4.350 0.051 0.000 0.191 1464 E C 0.356 176.944 176.600 -0.019 0.000 0.979 1464 E CA 0.290 56.654 56.400 -0.059 0.000 0.822 1464 E CB -0.193 29.482 29.700 -0.042 0.000 0.782 1464 E HN 0.421 nan 8.360 nan 0.000 0.459 1465 E N 2.015 122.209 120.200 -0.010 0.000 2.468 1465 E HA -0.059 4.322 4.350 0.051 0.000 0.236 1465 E C -0.533 176.169 176.600 0.169 0.000 1.240 1465 E CA -0.071 56.363 56.400 0.057 0.000 0.965 1465 E CB -0.357 29.351 29.700 0.015 0.000 1.087 1465 E HN 0.107 nan 8.360 nan 0.000 0.470 1466 S N 1.188 116.974 115.700 0.143 0.000 2.685 1466 S HA 0.658 5.159 4.470 0.051 0.000 0.282 1466 S C -1.002 173.669 174.600 0.117 0.000 1.159 1466 S CA -1.004 57.284 58.200 0.147 0.000 0.833 1466 S CB 2.491 65.739 63.200 0.081 0.000 1.151 1466 S HN 0.343 nan 8.310 nan 0.000 0.485 1467 c N 1.672 120.311 118.600 0.066 0.000 2.871 1467 c HA 0.719 5.320 4.570 0.051 0.000 0.378 1467 c C -1.083 173.008 174.090 0.003 0.000 1.052 1467 c CA -0.066 56.295 56.329 0.053 0.000 1.250 1467 c CB 0.532 43.097 42.510 0.092 0.000 1.689 1467 c HN 0.980 nan 8.230 nan 0.000 0.506 1468 T N 5.438 119.992 114.554 0.000 0.000 3.053 1468 T HA 0.410 4.791 4.350 0.051 0.000 0.363 1468 T C -0.185 174.443 174.700 -0.121 0.000 1.239 1468 T CA -0.388 61.660 62.100 -0.086 0.000 1.071 1468 T CB 0.228 69.035 68.868 -0.103 0.000 1.089 1468 T HN 0.610 nan 8.240 nan 0.000 0.527 1469 R N 1.499 121.940 120.500 -0.098 0.000 2.500 1469 R HA 0.767 5.138 4.340 0.051 0.000 0.277 1469 R C -0.671 175.564 176.300 -0.108 0.000 1.026 1469 R CA -0.655 55.450 56.100 0.008 0.000 1.058 1469 R CB 0.456 30.799 30.300 0.072 0.000 1.078 1469 R HN 0.407 nan 8.270 nan 0.000 0.509 1470 F N 1.151 121.161 119.950 0.099 0.000 2.572 1470 F HA 0.560 5.118 4.527 0.051 0.000 0.342 1470 F C -0.474 175.439 175.800 0.188 0.000 1.064 1470 F CA -0.502 57.548 58.000 0.083 0.000 1.008 1470 F CB 1.177 40.172 39.000 -0.008 0.000 1.303 1470 F HN 0.462 nan 8.300 nan 0.000 0.492 1471 Y N -0.569 119.867 120.300 0.226 0.000 2.558 1471 Y HA 0.684 5.265 4.550 0.051 0.000 0.333 1471 Y C -1.348 174.635 175.900 0.138 0.000 1.125 1471 Y CA -1.379 56.786 58.100 0.109 0.000 1.039 1471 Y CB 1.446 39.910 38.460 0.007 0.000 1.331 1471 Y HN 0.799 nan 8.280 nan 0.000 0.456 1472 H N 2.928 122.036 119.070 0.063 0.000 2.987 1472 H HA 0.256 4.843 4.556 0.051 0.000 0.285 1472 H C -2.908 172.413 175.328 -0.012 0.000 1.176 1472 H CA -0.942 55.081 56.048 -0.041 0.000 1.596 1472 H CB 1.981 31.678 29.762 -0.109 0.000 2.044 1472 H HN 0.403 nan 8.280 nan 0.000 0.500 1473 P HA -0.114 nan 4.420 nan 0.000 0.212 1473 P C 0.831 177.865 177.300 -0.443 0.000 1.180 1473 P CA 1.555 64.397 63.100 -0.430 0.000 0.906 1473 P CB 0.408 31.947 31.700 -0.268 0.000 0.782 1474 E N 0.304 120.152 120.200 -0.588 0.000 2.058 1474 E HA -0.185 4.196 4.350 0.051 0.000 0.194 1474 E C 2.089 178.633 176.600 -0.094 0.000 0.997 1474 E CA 1.478 57.753 56.400 -0.208 0.000 0.801 1474 E CB -0.262 29.418 29.700 -0.033 0.000 0.746 1474 E HN 0.363 nan 8.360 nan 0.000 0.450 1475 K N -0.090 120.287 120.400 -0.038 0.000 2.166 1475 K HA 0.032 4.383 4.320 0.051 0.000 0.201 1475 K C -0.083 176.548 176.600 0.051 0.000 1.052 1475 K CA 0.298 56.645 56.287 0.099 0.000 0.969 1475 K CB 0.343 32.983 32.500 0.235 0.000 0.761 1475 K HN -0.057 nan 8.250 nan 0.000 0.459 1476 E N 0.827 121.042 120.200 0.024 0.000 8.073 1476 E HA -0.159 4.222 4.350 0.051 0.000 0.466 1476 E C -0.994 175.648 176.600 0.070 0.000 0.782 1476 E CA 0.711 57.127 56.400 0.028 0.000 1.366 1476 E CB -0.494 29.212 29.700 0.010 0.000 0.986 1476 E HN 0.437 nan 8.360 nan 0.000 0.263 1477 D N -0.113 120.337 120.400 0.083 0.000 2.751 1477 D HA -0.205 4.465 4.640 0.051 0.000 0.233 1477 D C 0.991 177.358 176.300 0.111 0.000 1.149 1477 D CA 2.728 56.790 54.000 0.104 0.000 0.682 1477 D CB -1.668 39.177 40.800 0.074 0.000 1.068 1477 D HN 0.983 nan 8.370 nan 0.000 0.429 1478 G N -1.024 107.864 108.800 0.145 0.000 2.279 1478 G HA2 -0.470 3.521 3.960 0.051 0.000 0.269 1478 G HA3 -0.470 3.521 3.960 0.051 0.000 0.269 1478 G C 0.676 175.514 174.900 -0.105 0.000 0.992 1478 G CA 1.320 46.482 45.100 0.103 0.000 0.656 1478 G HN 0.552 nan 8.290 nan 0.000 0.551 1479 K N 0.188 120.529 120.400 -0.097 0.000 2.382 1479 K HA 0.542 4.893 4.320 0.051 0.000 0.275 1479 K C 0.995 177.498 176.600 -0.161 0.000 1.009 1479 K CA -0.276 55.895 56.287 -0.193 0.000 0.970 1479 K CB 0.237 32.680 32.500 -0.095 0.000 0.934 1479 K HN 0.247 nan 8.250 nan 0.000 0.479 1480 L N 3.207 124.306 121.223 -0.205 0.000 2.436 1480 L HA 0.166 4.536 4.340 0.051 0.000 0.265 1480 L C 0.140 176.963 176.870 -0.078 0.000 1.168 1480 L CA -0.247 54.505 54.840 -0.148 0.000 0.815 1480 L CB 0.635 42.605 42.059 -0.148 0.000 1.109 1480 L HN 0.696 nan 8.230 nan 0.000 0.462 1481 N N 2.265 120.934 118.700 -0.053 0.000 2.399 1481 N HA 0.155 4.926 4.740 0.051 0.000 0.259 1481 N C -0.988 174.515 175.510 -0.011 0.000 1.160 1481 N CA -0.249 52.791 53.050 -0.017 0.000 0.946 1481 N CB 0.455 38.939 38.487 -0.005 0.000 1.156 1481 N HN 0.437 nan 8.380 nan 0.000 0.489 1482 K N 0.929 121.332 120.400 0.005 0.000 2.395 1482 K HA 0.633 4.983 4.320 0.051 0.000 0.245 1482 K C -1.386 175.238 176.600 0.040 0.000 1.017 1482 K CA -1.049 55.245 56.287 0.012 0.000 0.852 1482 K CB 1.579 34.087 32.500 0.014 0.000 1.311 1482 K HN 0.098 nan 8.250 nan 0.000 0.452 1483 L N 1.632 122.870 121.223 0.025 0.000 2.462 1483 L HA 0.360 4.731 4.340 0.051 0.000 0.255 1483 L C -1.739 175.187 176.870 0.093 0.000 1.076 1483 L CA -0.217 54.642 54.840 0.032 0.000 0.920 1483 L CB 0.773 42.773 42.059 -0.098 0.000 1.214 1483 L HN 0.821 nan 8.230 nan 0.000 0.472 1484 c N 3.563 122.261 118.600 0.164 0.000 2.319 1484 c HA 0.744 5.345 4.570 0.051 0.000 0.335 1484 c C 0.212 174.426 174.090 0.207 0.000 1.274 1484 c CA -0.772 55.681 56.329 0.205 0.000 1.806 1484 c CB 0.727 43.321 42.510 0.141 0.000 2.329 1484 c HN 0.800 nan 8.230 nan 0.000 0.524 1485 R N 2.327 122.939 120.500 0.187 0.000 2.393 1485 R HA 0.511 4.882 4.340 0.051 0.000 0.315 1485 R C -0.149 176.137 176.300 -0.022 0.000 0.952 1485 R CA -0.351 55.786 56.100 0.062 0.000 0.842 1485 R CB 0.706 30.976 30.300 -0.051 0.000 1.163 1485 R HN 0.754 nan 8.270 nan 0.000 0.450 1486 D N 1.908 122.319 120.400 0.018 0.000 4.539 1486 D HA -0.330 4.341 4.640 0.051 0.000 0.229 1486 D C 0.615 176.909 176.300 -0.009 0.000 0.808 1486 D CA 2.875 56.871 54.000 -0.006 0.000 1.904 1486 D CB -0.462 40.308 40.800 -0.050 0.000 1.096 1486 D HN 0.821 nan 8.370 nan 0.000 0.404 1487 E N 0.470 120.644 120.200 -0.043 0.000 2.175 1487 E HA 0.271 4.652 4.350 0.051 0.000 0.193 1487 E C 1.026 177.615 176.600 -0.020 0.000 0.962 1487 E CA -0.140 56.238 56.400 -0.037 0.000 0.981 1487 E CB -0.048 29.615 29.700 -0.061 0.000 1.093 1487 E HN 0.450 nan 8.360 nan 0.000 0.483 1488 L N -0.364 120.835 121.223 -0.039 0.000 2.416 1488 L HA 0.618 4.989 4.340 0.051 0.000 0.262 1488 L C -0.628 176.326 176.870 0.139 0.000 1.093 1488 L CA -0.915 53.935 54.840 0.017 0.000 0.801 1488 L CB 1.307 43.359 42.059 -0.012 0.000 1.191 1488 L HN 0.130 nan 8.230 nan 0.000 0.459 1489 c N 0.051 118.758 118.600 0.178 0.000 2.802 1489 c HA 0.714 5.315 4.570 0.051 0.000 0.307 1489 c C -0.349 173.848 174.090 0.178 0.000 1.222 1489 c CA -0.736 55.718 56.329 0.209 0.000 1.580 1489 c CB 1.862 44.432 42.510 0.101 0.000 2.119 1489 c HN 0.716 nan 8.230 nan 0.000 0.479 1490 R N 0.975 121.513 120.500 0.064 0.000 2.295 1490 R HA 0.275 4.646 4.340 0.051 0.000 0.324 1490 R C -0.405 175.867 176.300 -0.047 0.000 0.968 1490 R CA -0.335 55.720 56.100 -0.074 0.000 0.837 1490 R CB 1.199 31.285 30.300 -0.356 0.000 1.133 1490 R HN 0.971 nan 8.270 nan 0.000 0.450 1491 C N 3.801 123.094 119.300 -0.012 0.000 2.665 1491 C HA 0.200 4.691 4.460 0.051 0.000 0.397 1491 C C 1.323 176.297 174.990 -0.026 0.000 1.395 1491 C CA -0.086 58.933 59.018 0.002 0.000 1.462 1491 C CB -1.545 26.222 27.740 0.045 0.000 2.323 1491 C HN 0.738 nan 8.230 nan 0.000 0.617 1492 A N 5.196 127.998 122.820 -0.031 0.000 2.507 1492 A HA 0.270 4.620 4.320 0.051 0.000 0.270 1492 A C 0.907 178.474 177.584 -0.027 0.000 1.318 1492 A CA 0.084 52.099 52.037 -0.036 0.000 0.924 1492 A CB -0.161 18.819 19.000 -0.033 0.000 1.061 1492 A HN 0.880 nan 8.150 nan 0.000 0.516 1493 E N 1.769 121.949 120.200 -0.033 0.000 2.127 1493 E HA 0.181 4.562 4.350 0.051 0.000 0.262 1493 E C 0.009 176.578 176.600 -0.051 0.000 1.144 1493 E CA 0.110 56.484 56.400 -0.044 0.000 1.144 1493 E CB -0.083 29.582 29.700 -0.058 0.000 1.297 1493 E HN 0.909 nan 8.360 nan 0.000 0.469 1494 E N 0.044 120.218 120.200 -0.042 0.000 2.090 1494 E HA 0.209 4.590 4.350 0.051 0.000 0.221 1494 E C -0.841 175.737 176.600 -0.037 0.000 1.323 1494 E CA -0.919 55.452 56.400 -0.049 0.000 0.934 1494 E CB 0.158 29.823 29.700 -0.058 0.000 1.828 1494 E HN -0.113 nan 8.360 nan 0.000 0.519 1495 N N 0.015 118.692 118.700 -0.040 0.000 2.458 1495 N HA 0.087 4.858 4.740 0.051 0.000 0.258 1495 N C 0.365 175.877 175.510 0.003 0.000 1.219 1495 N CA 0.083 53.109 53.050 -0.040 0.000 0.902 1495 N CB 0.537 38.996 38.487 -0.046 0.000 1.076 1495 N HN 0.463 nan 8.380 nan 0.000 0.455 1496 c N 1.230 119.828 118.600 -0.002 0.000 2.462 1496 c HA 0.039 4.639 4.570 0.051 0.000 0.278 1496 c C 0.544 174.805 174.090 0.284 0.000 1.253 1496 c CA 0.448 56.845 56.329 0.113 0.000 1.713 1496 c CB -1.338 41.231 42.510 0.100 0.000 2.049 1496 c HN 0.834 nan 8.230 nan 0.000 0.477 1497 F N -3.163 116.799 119.950 0.020 0.000 2.669 1497 F HA 0.556 5.114 4.527 0.051 0.000 0.315 1497 F C -0.709 175.145 175.800 0.091 0.000 1.109 1497 F CA -1.696 56.334 58.000 0.051 0.000 1.028 1497 F CB -0.316 38.715 39.000 0.051 0.000 1.287 1497 F HN -0.050 nan 8.300 nan 0.000 0.452 1498 I N 2.959 123.613 120.570 0.139 0.000 2.907 1498 I HA -0.268 3.933 4.170 0.051 0.000 0.201 1498 I C 0.008 176.035 176.117 -0.150 0.000 0.920 1498 I CA 1.224 62.485 61.300 -0.064 0.000 2.606 1498 I CB 0.235 38.105 38.000 -0.216 0.000 0.713 1498 I HN 0.834 nan 8.210 nan 0.000 0.360 1499 Q N 7.879 127.539 119.800 -0.232 0.000 2.372 1499 Q HA 0.613 4.984 4.340 0.051 0.000 0.259 1499 Q C -0.378 175.505 176.000 -0.195 0.000 0.993 1499 Q CA -1.009 54.676 55.803 -0.197 0.000 0.854 1499 Q CB 1.735 30.372 28.738 -0.168 0.000 1.231 1499 Q HN 0.498 nan 8.270 nan 0.000 0.462 1504 K N 1.681 122.069 120.400 -0.020 0.000 2.380 1504 K HA 0.154 4.505 4.320 0.051 0.000 0.200 1504 K C 0.947 177.543 176.600 -0.007 0.000 1.201 1504 K CA 1.227 57.505 56.287 -0.015 0.000 0.916 1504 K CB 0.319 32.806 32.500 -0.021 0.000 1.187 1504 K HN 0.153 nan 8.250 nan 0.000 0.498 1505 V N 2.799 122.704 119.914 -0.015 0.000 5.578 1505 V HA -0.216 3.935 4.120 0.051 0.000 0.275 1505 V C -0.004 176.098 176.094 0.014 0.000 0.642 1505 V CA 1.115 63.413 62.300 -0.003 0.000 0.613 1505 V CB -3.257 28.602 31.823 0.059 0.000 0.301 1505 V HN 0.482 nan 8.190 nan 0.000 0.782 1506 T N -0.259 114.298 114.554 0.005 0.000 2.748 1506 T HA 0.449 4.830 4.350 0.051 0.000 0.304 1506 T C 1.293 176.020 174.700 0.046 0.000 1.041 1506 T CA 0.064 62.175 62.100 0.018 0.000 1.033 1506 T CB 1.819 70.691 68.868 0.006 0.000 0.995 1506 T HN 0.329 nan 8.240 nan 0.000 0.536 1507 L N 0.186 121.442 121.223 0.054 0.000 1.994 1507 L HA -0.137 4.233 4.340 0.051 0.000 0.208 1507 L C 2.724 179.648 176.870 0.091 0.000 1.071 1507 L CA 1.659 56.553 54.840 0.089 0.000 0.745 1507 L CB -0.396 41.703 42.059 0.067 0.000 0.892 1507 L HN 0.661 nan 8.230 nan 0.000 0.431 1508 E N 0.224 120.451 120.200 0.045 0.000 2.048 1508 E HA -0.277 4.104 4.350 0.051 0.000 0.202 1508 E C 1.965 178.596 176.600 0.051 0.000 1.021 1508 E CA 1.725 58.144 56.400 0.030 0.000 0.825 1508 E CB -0.386 29.318 29.700 0.006 0.000 0.756 1508 E HN 0.430 nan 8.360 nan 0.000 0.454 1509 E N 0.160 120.381 120.200 0.035 0.000 2.233 1509 E HA -0.252 4.128 4.350 0.051 0.000 0.199 1509 E C 2.142 178.778 176.600 0.059 0.000 1.004 1509 E CA 1.021 57.431 56.400 0.017 0.000 0.819 1509 E CB -0.153 29.534 29.700 -0.021 0.000 0.738 1509 E HN 0.234 nan 8.360 nan 0.000 0.478 1510 R N 0.075 120.666 120.500 0.151 0.000 2.074 1510 R HA 0.134 4.505 4.340 0.051 0.000 0.218 1510 R C 2.653 179.219 176.300 0.445 0.000 1.137 1510 R CA 0.122 56.427 56.100 0.342 0.000 0.998 1510 R CB -0.186 30.356 30.300 0.403 0.000 0.895 1510 R HN 0.091 nan 8.270 nan 0.000 0.442 1511 L N 1.233 122.636 121.223 0.300 0.000 2.189 1511 L HA -0.254 4.116 4.340 0.051 0.000 0.214 1511 L C 1.491 178.401 176.870 0.068 0.000 1.097 1511 L CA 1.221 56.133 54.840 0.120 0.000 0.764 1511 L CB -0.309 41.752 42.059 0.004 0.000 0.900 1511 L HN 0.268 nan 8.230 nan 0.000 0.436 1512 D N 0.012 120.467 120.400 0.090 0.000 2.085 1512 D HA -0.143 4.528 4.640 0.051 0.000 0.199 1512 D C 1.985 178.341 176.300 0.092 0.000 0.981 1512 D CA 1.162 55.195 54.000 0.056 0.000 0.834 1512 D CB -0.081 40.739 40.800 0.034 0.000 0.992 1512 D HN 0.291 nan 8.370 nan 0.000 0.457 1513 K N 0.625 121.130 120.400 0.174 0.000 2.515 1513 K HA 0.076 4.427 4.320 0.051 0.000 0.196 1513 K C 1.135 177.962 176.600 0.379 0.000 1.038 1513 K CA 0.452 56.882 56.287 0.237 0.000 0.967 1513 K CB 0.262 32.869 32.500 0.178 0.000 0.780 1513 K HN -0.020 nan 8.250 nan 0.000 0.483 1514 A N 0.315 123.253 122.820 0.196 0.000 2.610 1514 A HA 0.149 4.500 4.320 0.051 0.000 0.286 1514 A C 0.572 178.061 177.584 -0.158 0.000 1.306 1514 A CA -0.374 51.531 52.037 -0.220 0.000 0.942 1514 A CB -0.191 18.355 19.000 -0.757 0.000 1.112 1514 A HN 0.345 nan 8.150 nan 0.000 0.527 1515 C N 0.048 119.318 119.300 -0.050 0.000 3.245 1515 C HA 0.275 4.766 4.460 0.051 0.000 0.254 1515 C C 0.649 175.631 174.990 -0.014 0.000 1.931 1515 C CA -0.898 58.092 59.018 -0.047 0.000 1.726 1515 C CB -1.335 26.377 27.740 -0.047 0.000 3.348 1515 C HN 0.624 nan 8.230 nan 0.000 0.458 1516 E N 2.407 122.611 120.200 0.007 0.000 2.405 1516 E HA 0.155 4.536 4.350 0.051 0.000 0.253 1516 E C -1.067 175.537 176.600 0.007 0.000 1.257 1516 E CA -0.966 55.445 56.400 0.017 0.000 0.960 1516 E CB 0.534 30.259 29.700 0.042 0.000 1.077 1516 E HN 0.082 nan 8.360 nan 0.000 0.512 1517 P HA -0.207 nan 4.420 nan 0.000 0.205 1517 P C 0.688 177.992 177.300 0.007 0.000 1.046 1517 P CA 1.419 64.524 63.100 0.009 0.000 0.968 1517 P CB -0.338 31.369 31.700 0.012 0.000 0.753 1518 G N -0.141 108.665 108.800 0.009 0.000 3.943 1518 G HA2 0.332 4.323 3.960 0.051 0.000 0.275 1518 G HA3 0.332 4.323 3.960 0.051 0.000 0.275 1518 G C -0.300 174.595 174.900 -0.007 0.000 1.234 1518 G CA -0.197 44.906 45.100 0.004 0.000 1.522 1518 G HN 0.155 nan 8.290 nan 0.000 0.636 1519 V N 1.107 121.007 119.914 -0.023 0.000 2.304 1519 V HA 0.099 4.249 4.120 0.051 0.000 0.262 1519 V C 0.776 176.835 176.094 -0.059 0.000 1.061 1519 V CA -0.085 62.169 62.300 -0.077 0.000 0.872 1519 V CB 1.100 32.841 31.823 -0.137 0.000 1.077 1519 V HN 0.565 nan 8.190 nan 0.000 0.480 1520 D N 3.693 124.086 120.400 -0.011 0.000 2.346 1520 D HA 0.068 4.739 4.640 0.051 0.000 0.206 1520 D C 0.114 176.557 176.300 0.238 0.000 1.001 1520 D CA 0.437 54.518 54.000 0.135 0.000 0.871 1520 D CB 0.392 41.325 40.800 0.221 0.000 0.943 1520 D HN 0.623 nan 8.370 nan 0.000 0.518 1521 Y N -2.792 117.497 120.300 -0.018 0.000 2.581 1521 Y HA 0.614 5.195 4.550 0.051 0.000 0.337 1521 Y C -1.756 173.979 175.900 -0.274 0.000 1.108 1521 Y CA -1.469 56.542 58.100 -0.148 0.000 1.033 1521 Y CB 1.192 39.518 38.460 -0.223 0.000 1.318 1521 Y HN -0.306 nan 8.280 nan 0.000 0.459 1522 V N 3.804 123.586 119.914 -0.220 0.000 2.509 1522 V HA 0.362 4.513 4.120 0.051 0.000 0.289 1522 V C -1.593 174.584 176.094 0.139 0.000 1.026 1522 V CA -0.752 61.478 62.300 -0.117 0.000 0.872 1522 V CB 0.636 32.427 31.823 -0.054 0.000 1.017 1522 V HN 0.690 nan 8.190 nan 0.000 0.436 1523 Y N 2.014 122.508 120.300 0.323 0.000 2.429 1523 Y HA 0.569 5.150 4.550 0.051 0.000 0.342 1523 Y C 0.235 176.287 175.900 0.253 0.000 1.004 1523 Y CA -1.915 56.348 58.100 0.271 0.000 1.075 1523 Y CB 1.672 40.293 38.460 0.268 0.000 1.214 1523 Y HN 0.500 nan 8.280 nan 0.000 0.455 1524 K N 2.422 123.048 120.400 0.377 0.000 2.262 1524 K HA 0.450 4.801 4.320 0.051 0.000 0.282 1524 K C -0.733 175.899 176.600 0.053 0.000 1.066 1524 K CA -0.258 56.165 56.287 0.227 0.000 0.901 1524 K CB 0.383 32.883 32.500 -0.001 0.000 1.089 1524 K HN 0.876 nan 8.250 nan 0.000 0.476 1525 T N 1.362 115.956 114.554 0.068 0.000 2.912 1525 T HA 0.410 4.791 4.350 0.051 0.000 0.288 1525 T C -0.461 174.253 174.700 0.023 0.000 1.030 1525 T CA -1.058 61.056 62.100 0.022 0.000 1.020 1525 T CB 1.667 70.564 68.868 0.049 0.000 1.056 1525 T HN 0.623 nan 8.240 nan 0.000 0.480 1526 R N 1.618 122.135 120.500 0.028 0.000 2.387 1526 R HA 0.534 4.905 4.340 0.051 0.000 0.314 1526 R C -1.024 175.354 176.300 0.130 0.000 0.958 1526 R CA -1.029 55.189 56.100 0.197 0.000 0.846 1526 R CB 0.982 31.392 30.300 0.184 0.000 1.147 1526 R HN 0.639 nan 8.270 nan 0.000 0.447 1527 L N 5.897 127.214 121.223 0.157 0.000 2.369 1527 L HA 0.160 4.531 4.340 0.051 0.000 0.279 1527 L C -0.229 176.695 176.870 0.089 0.000 1.108 1527 L CA 0.503 55.412 54.840 0.116 0.000 0.852 1527 L CB 1.496 43.640 42.059 0.142 0.000 1.169 1527 L HN 0.611 nan 8.230 nan 0.000 0.452 1528 V N 4.720 124.681 119.914 0.079 0.000 3.660 1528 V HA 0.323 4.473 4.120 0.051 0.000 0.276 1528 V C 0.591 176.717 176.094 0.054 0.000 1.317 1528 V CA 0.154 62.489 62.300 0.058 0.000 1.097 1528 V CB -0.626 31.225 31.823 0.047 0.000 0.863 1528 V HN 0.823 nan 8.190 nan 0.000 0.438 1529 K N -0.481 119.960 120.400 0.069 0.000 2.740 1529 K HA 0.287 4.638 4.320 0.051 0.000 0.279 1529 K C -2.098 174.537 176.600 0.059 0.000 1.038 1529 K CA -0.275 56.044 56.287 0.053 0.000 0.887 1529 K CB 2.404 34.926 32.500 0.037 0.000 1.411 1529 K HN -0.185 nan 8.250 nan 0.000 0.381 1530 V N 3.985 123.914 119.914 0.025 0.000 2.383 1530 V HA 0.214 4.365 4.120 0.051 0.000 0.261 1530 V C -0.468 175.568 176.094 -0.097 0.000 0.987 1530 V CA -0.604 61.682 62.300 -0.024 0.000 0.853 1530 V CB 1.077 32.937 31.823 0.062 0.000 1.095 1530 V HN 0.579 nan 8.190 nan 0.000 0.461 1531 Q N 3.161 122.885 119.800 -0.126 0.000 2.837 1531 Q HA 0.301 4.672 4.340 0.051 0.000 0.235 1531 Q C -0.300 175.606 176.000 -0.158 0.000 1.348 1531 Q CA -0.414 55.326 55.803 -0.106 0.000 0.990 1531 Q CB 0.526 29.229 28.738 -0.058 0.000 1.570 1531 Q HN 0.487 nan 8.270 nan 0.000 0.575 1532 L N 0.826 121.963 121.223 -0.143 0.000 2.492 1532 L HA 0.043 4.414 4.340 0.051 0.000 0.280 1532 L C 0.539 177.336 176.870 -0.123 0.000 1.240 1532 L CA 0.989 55.752 54.840 -0.129 0.000 0.831 1532 L CB 0.751 42.767 42.059 -0.072 0.000 1.100 1532 L HN 0.468 nan 8.230 nan 0.000 0.505 1533 S N 0.132 115.755 115.700 -0.130 0.000 2.727 1533 S HA 0.431 4.931 4.470 0.051 0.000 0.278 1533 S C 0.441 174.972 174.600 -0.115 0.000 1.186 1533 S CA -0.577 57.532 58.200 -0.152 0.000 0.836 1533 S CB 0.844 63.880 63.200 -0.272 0.000 1.186 1533 S HN 0.605 nan 8.310 nan 0.000 0.499 1534 N N 2.125 120.756 118.700 -0.115 0.000 2.124 1534 N HA -0.030 4.741 4.740 0.051 0.000 0.189 1534 N C 1.392 176.869 175.510 -0.056 0.000 1.050 1534 N CA 2.007 55.017 53.050 -0.068 0.000 0.848 1534 N CB -0.628 37.828 38.487 -0.052 0.000 1.027 1534 N HN 0.768 nan 8.380 nan 0.000 0.435 1535 D N 0.301 120.650 120.400 -0.085 0.000 2.088 1535 D HA -0.147 4.523 4.640 0.051 0.000 0.191 1535 D C 0.445 176.799 176.300 0.091 0.000 0.992 1535 D CA 1.176 55.172 54.000 -0.006 0.000 0.831 1535 D CB -0.605 40.202 40.800 0.011 0.000 0.973 1535 D HN 0.400 nan 8.370 nan 0.000 0.447 1536 F N -0.656 119.309 119.950 0.024 0.000 2.565 1536 F HA 0.636 5.194 4.527 0.051 0.000 0.313 1536 F C -0.792 175.006 175.800 -0.004 0.000 1.091 1536 F CA -1.621 56.394 58.000 0.024 0.000 0.915 1536 F CB 1.300 40.327 39.000 0.045 0.000 1.208 1536 F HN -0.382 nan 8.300 nan 0.000 0.453 1537 D N 1.318 121.846 120.400 0.214 0.000 2.387 1537 D HA 0.434 5.104 4.640 0.051 0.000 0.251 1537 D C -0.689 175.621 176.300 0.016 0.000 1.141 1537 D CA -0.077 53.927 54.000 0.006 0.000 0.987 1537 D CB 0.952 41.717 40.800 -0.058 0.000 1.116 1537 D HN 0.554 nan 8.370 nan 0.000 0.491 1538 E N 0.563 120.572 120.200 -0.317 0.000 2.308 1538 E HA 0.266 4.647 4.350 0.051 0.000 0.275 1538 E C -1.169 175.161 176.600 -0.451 0.000 0.890 1538 E CA -0.624 55.684 56.400 -0.154 0.000 0.754 1538 E CB 1.886 31.584 29.700 -0.004 0.000 1.207 1538 E HN 0.361 nan 8.360 nan 0.000 0.426 1539 Y N 1.339 121.729 120.300 0.149 0.000 2.445 1539 Y HA 0.333 4.914 4.550 0.051 0.000 0.332 1539 Y C -0.142 175.843 175.900 0.142 0.000 1.037 1539 Y CA -0.704 57.450 58.100 0.090 0.000 1.296 1539 Y CB 0.741 39.202 38.460 0.002 0.000 1.099 1539 Y HN 0.393 nan 8.280 nan 0.000 0.496 1540 I N 4.856 125.550 120.570 0.207 0.000 2.483 1540 I HA 0.088 4.289 4.170 0.051 0.000 0.291 1540 I C -0.143 176.071 176.117 0.162 0.000 1.112 1540 I CA 0.453 61.861 61.300 0.181 0.000 1.350 1540 I CB -0.068 37.997 38.000 0.109 0.000 1.419 1540 I HN 0.385 nan 8.210 nan 0.000 0.523 1541 M N 5.794 125.516 119.600 0.203 0.000 2.238 1541 M HA 0.533 5.044 4.480 0.051 0.000 0.350 1541 M C -0.021 176.328 176.300 0.083 0.000 1.138 1541 M CA -0.579 54.783 55.300 0.103 0.000 1.040 1541 M CB 1.564 34.145 32.600 -0.032 0.000 1.639 1541 M HN 0.542 nan 8.290 nan 0.000 0.451 1542 A N 4.416 127.254 122.820 0.030 0.000 2.260 1542 A HA 0.595 4.945 4.320 0.051 0.000 0.308 1542 A C -0.079 177.467 177.584 -0.062 0.000 1.254 1542 A CA -0.596 51.431 52.037 -0.016 0.000 0.874 1542 A CB -0.102 18.889 19.000 -0.015 0.000 1.153 1542 A HN 0.845 nan 8.150 nan 0.000 0.527 1543 I N 3.087 123.584 120.570 -0.123 0.000 2.576 1543 I HA -0.023 4.178 4.170 0.051 0.000 0.288 1543 I C 1.291 177.327 176.117 -0.134 0.000 1.126 1543 I CA 0.304 61.491 61.300 -0.187 0.000 1.362 1543 I CB 0.478 38.228 38.000 -0.415 0.000 1.419 1543 I HN 0.739 nan 8.210 nan 0.000 0.533 1544 E N 5.581 125.705 120.200 -0.127 0.000 2.158 1544 E HA -0.086 4.294 4.350 0.051 0.000 0.191 1544 E C 0.150 176.687 176.600 -0.105 0.000 0.982 1544 E CA 0.683 56.985 56.400 -0.163 0.000 0.823 1544 E CB 0.193 29.704 29.700 -0.314 0.000 0.766 1544 E HN 0.795 nan 8.360 nan 0.000 0.468 1545 Q N -1.040 118.736 119.800 -0.040 0.000 2.479 1545 Q HA 0.277 4.647 4.340 0.051 0.000 0.276 1545 Q C -1.169 174.908 176.000 0.129 0.000 0.989 1545 Q CA -0.702 55.116 55.803 0.025 0.000 0.864 1545 Q CB 0.844 29.601 28.738 0.032 0.000 1.444 1545 Q HN -0.135 nan 8.270 nan 0.000 0.388 1546 T N 0.377 115.019 114.554 0.147 0.000 2.723 1546 T HA 0.432 4.813 4.350 0.051 0.000 0.297 1546 T C 0.744 175.584 174.700 0.233 0.000 0.925 1546 T CA -0.524 61.744 62.100 0.279 0.000 1.030 1546 T CB 0.103 69.112 68.868 0.236 0.000 0.905 1546 T HN 0.619 nan 8.240 nan 0.000 0.502 1547 I N 1.060 121.794 120.570 0.274 0.000 2.494 1547 I HA 0.182 4.383 4.170 0.051 0.000 0.250 1547 I C 1.379 177.576 176.117 0.134 0.000 1.112 1547 I CA 0.661 62.080 61.300 0.199 0.000 1.438 1547 I CB 0.144 38.297 38.000 0.256 0.000 1.111 1547 I HN 0.490 nan 8.210 nan 0.000 0.431 1548 K N 0.990 121.475 120.400 0.143 0.000 2.545 1548 K HA 0.371 4.722 4.320 0.051 0.000 0.252 1548 K C -0.640 176.068 176.600 0.179 0.000 0.948 1548 K CA -0.257 56.090 56.287 0.101 0.000 0.827 1548 K CB 1.809 34.316 32.500 0.012 0.000 1.128 1548 K HN -0.046 nan 8.250 nan 0.000 0.429 1549 S N 1.000 116.815 115.700 0.191 0.000 2.477 1549 S HA 0.760 5.261 4.470 0.051 0.000 0.261 1549 S C 0.600 175.329 174.600 0.215 0.000 1.197 1549 S CA 0.061 58.410 58.200 0.248 0.000 1.015 1549 S CB 0.804 64.116 63.200 0.187 0.000 1.077 1549 S HN 0.948 nan 8.310 nan 0.000 0.505 1550 G N 0.170 109.090 108.800 0.200 0.000 2.470 1550 G HA2 0.051 4.042 3.960 0.051 0.000 0.145 1550 G HA3 0.051 4.042 3.960 0.051 0.000 0.145 1550 G C 0.386 175.387 174.900 0.167 0.000 1.223 1550 G CA 0.165 45.373 45.100 0.181 0.000 1.058 1550 G HN 0.647 nan 8.290 nan 0.000 0.469 1551 S N 0.307 116.130 115.700 0.205 0.000 2.626 1551 S HA 0.079 4.580 4.470 0.051 0.000 0.245 1551 S C 0.218 174.831 174.600 0.022 0.000 0.973 1551 S CA 1.739 60.033 58.200 0.157 0.000 0.959 1551 S CB -0.430 62.939 63.200 0.282 0.000 0.762 1551 S HN 0.571 nan 8.310 nan 0.000 0.539 1552 D N 0.960 121.379 120.400 0.032 0.000 2.323 1552 D HA 0.101 4.772 4.640 0.051 0.000 0.242 1552 D C -1.149 175.166 176.300 0.025 0.000 1.347 1552 D CA -0.258 53.691 54.000 -0.086 0.000 0.988 1552 D CB 1.058 41.705 40.800 -0.255 0.000 1.314 1552 D HN 0.252 nan 8.370 nan 0.000 0.564 1553 E N 1.836 122.035 120.200 -0.001 0.000 2.443 1553 E HA 0.069 4.450 4.350 0.051 0.000 0.310 1553 E C 0.256 176.862 176.600 0.010 0.000 1.202 1553 E CA -0.006 56.406 56.400 0.020 0.000 1.301 1553 E CB 0.797 30.499 29.700 0.004 0.000 1.104 1553 E HN 0.137 nan 8.360 nan 0.000 0.487 1554 V N 2.373 122.305 119.914 0.030 0.000 2.498 1554 V HA 0.065 4.216 4.120 0.051 0.000 0.279 1554 V C -0.114 175.964 176.094 -0.028 0.000 1.048 1554 V CA -0.361 61.928 62.300 -0.019 0.000 0.967 1554 V CB 1.563 33.347 31.823 -0.066 0.000 0.988 1554 V HN 0.415 nan 8.190 nan 0.000 0.473 1555 Q N 4.007 123.782 119.800 -0.041 0.000 2.230 1555 Q HA 0.473 4.844 4.340 0.051 0.000 0.248 1555 Q C -0.659 175.307 176.000 -0.056 0.000 0.915 1555 Q CA -0.231 55.552 55.803 -0.034 0.000 0.900 1555 Q CB 1.866 30.588 28.738 -0.026 0.000 1.229 1555 Q HN 0.688 nan 8.270 nan 0.000 0.439 1556 V N 3.499 123.387 119.914 -0.044 0.000 2.673 1556 V HA 0.295 4.446 4.120 0.051 0.000 0.303 1556 V C 1.408 177.470 176.094 -0.053 0.000 1.046 1556 V CA 1.699 63.966 62.300 -0.055 0.000 1.126 1556 V CB 0.396 32.198 31.823 -0.035 0.000 0.934 1556 V HN 1.063 nan 8.190 nan 0.000 0.487 1557 G N 3.131 111.893 108.800 -0.064 0.000 2.284 1557 G HA2 -0.208 3.783 3.960 0.051 0.000 0.230 1557 G HA3 -0.208 3.783 3.960 0.051 0.000 0.230 1557 G C 0.287 175.157 174.900 -0.050 0.000 1.021 1557 G CA 0.103 45.172 45.100 -0.052 0.000 0.619 1557 G HN 0.623 nan 8.290 nan 0.000 0.510 1558 Q N 0.690 120.453 119.800 -0.061 0.000 2.394 1558 Q HA 0.450 4.821 4.340 0.051 0.000 0.248 1558 Q C 0.122 176.083 176.000 -0.064 0.000 0.992 1558 Q CA 0.319 56.088 55.803 -0.057 0.000 0.888 1558 Q CB 0.500 29.201 28.738 -0.062 0.000 1.257 1558 Q HN 0.585 nan 8.270 nan 0.000 0.462 1559 Q N 1.445 121.223 119.800 -0.038 0.000 2.282 1559 Q HA 0.463 4.833 4.340 0.051 0.000 0.260 1559 Q C -0.751 175.241 176.000 -0.013 0.000 0.964 1559 Q CA -0.743 55.051 55.803 -0.016 0.000 0.880 1559 Q CB 1.566 30.310 28.738 0.011 0.000 1.286 1559 Q HN 0.166 nan 8.270 nan 0.000 0.445 1560 R N 1.163 121.664 120.500 0.002 0.000 2.561 1560 R HA 0.420 4.791 4.340 0.051 0.000 0.297 1560 R C -0.871 175.475 176.300 0.076 0.000 0.969 1560 R CA -0.621 55.465 56.100 -0.024 0.000 0.879 1560 R CB 2.009 32.158 30.300 -0.252 0.000 1.178 1560 R HN 0.532 nan 8.270 nan 0.000 0.445 1561 T N 3.758 118.357 114.554 0.075 0.000 2.794 1561 T HA 0.411 4.792 4.350 0.051 0.000 0.296 1561 T C -0.444 174.343 174.700 0.145 0.000 0.949 1561 T CA 0.239 62.443 62.100 0.173 0.000 1.101 1561 T CB 0.018 68.975 68.868 0.149 0.000 0.905 1561 T HN 0.143 nan 8.240 nan 0.000 0.516 1562 F N 3.665 123.717 119.950 0.170 0.000 2.426 1562 F HA 0.517 5.075 4.527 0.051 0.000 0.348 1562 F C 0.390 176.338 175.800 0.246 0.000 1.124 1562 F CA -1.268 56.858 58.000 0.210 0.000 1.008 1562 F CB 0.565 39.657 39.000 0.153 0.000 1.139 1562 F HN 0.370 nan 8.300 nan 0.000 0.452 1563 I N 2.310 123.065 120.570 0.308 0.000 2.532 1563 I HA 0.537 4.738 4.170 0.051 0.000 0.292 1563 I C 0.183 176.437 176.117 0.228 0.000 1.014 1563 I CA -0.241 61.190 61.300 0.218 0.000 1.340 1563 I CB 1.572 39.572 38.000 -0.000 0.000 1.422 1563 I HN 0.591 nan 8.210 nan 0.000 0.528 1564 S N 5.452 121.302 115.700 0.249 0.000 2.535 1564 S HA 0.587 5.088 4.470 0.051 0.000 0.272 1564 S C -2.968 171.753 174.600 0.201 0.000 1.149 1564 S CA -1.251 57.086 58.200 0.229 0.000 0.888 1564 S CB 2.043 65.442 63.200 0.331 0.000 1.110 1564 S HN 0.201 nan 8.310 nan 0.000 0.463 1565 P HA 0.198 nan 4.420 nan 0.000 0.271 1565 P C 1.108 178.487 177.300 0.132 0.000 1.233 1565 P CA -0.690 62.485 63.100 0.124 0.000 0.789 1565 P CB 0.360 32.107 31.700 0.078 0.000 0.951 1566 I N 1.893 122.529 120.570 0.109 0.000 2.394 1566 I HA -0.214 3.987 4.170 0.051 0.000 0.251 1566 I C 1.248 177.412 176.117 0.078 0.000 1.136 1566 I CA 1.868 63.220 61.300 0.087 0.000 1.425 1566 I CB -0.470 37.565 38.000 0.058 0.000 1.079 1566 I HN 0.302 nan 8.210 nan 0.000 0.425 1567 K N 0.012 120.452 120.400 0.068 0.000 2.555 1567 K HA 0.010 4.361 4.320 0.051 0.000 0.193 1567 K C 1.389 178.022 176.600 0.055 0.000 1.032 1567 K CA 0.845 57.164 56.287 0.053 0.000 1.004 1567 K CB -1.127 31.398 32.500 0.042 0.000 0.804 1567 K HN 0.279 nan 8.250 nan 0.000 0.496 1568 c N -0.183 118.465 118.600 0.081 0.000 3.065 1568 c HA 0.317 4.918 4.570 0.051 0.000 0.285 1568 c C 2.359 176.515 174.090 0.111 0.000 1.257 1568 c CA -0.529 55.854 56.329 0.090 0.000 1.691 1568 c CB -0.640 41.944 42.510 0.124 0.000 2.089 1568 c HN 0.663 nan 8.230 nan 0.000 0.630 1569 R N 2.317 122.892 120.500 0.124 0.000 2.136 1569 R HA -0.238 4.133 4.340 0.051 0.000 0.242 1569 R C 2.132 178.497 176.300 0.108 0.000 1.131 1569 R CA 2.267 58.455 56.100 0.145 0.000 0.937 1569 R CB -0.405 29.968 30.300 0.122 0.000 0.863 1569 R HN 0.595 nan 8.270 nan 0.000 0.435 1570 E N -0.706 119.539 120.200 0.075 0.000 2.152 1570 E HA -0.136 4.245 4.350 0.051 0.000 0.192 1570 E C 1.648 178.277 176.600 0.049 0.000 0.983 1570 E CA 1.009 57.443 56.400 0.056 0.000 0.818 1570 E CB 0.009 29.734 29.700 0.040 0.000 0.758 1570 E HN 0.534 nan 8.360 nan 0.000 0.467 1571 A N 0.790 123.635 122.820 0.042 0.000 1.898 1571 A HA -0.051 4.300 4.320 0.051 0.000 0.214 1571 A C 2.172 179.786 177.584 0.049 0.000 1.183 1571 A CA 0.616 52.661 52.037 0.014 0.000 0.622 1571 A CB -0.412 18.570 19.000 -0.030 0.000 0.824 1571 A HN 0.223 nan 8.150 nan 0.000 0.444 1572 L N -0.553 120.746 121.223 0.126 0.000 2.027 1572 L HA -0.111 4.260 4.340 0.051 0.000 0.206 1572 L C 0.705 177.621 176.870 0.077 0.000 1.074 1572 L CA 1.253 56.218 54.840 0.208 0.000 0.745 1572 L CB -0.632 41.488 42.059 0.102 0.000 0.898 1572 L HN 0.566 nan 8.230 nan 0.000 0.433 1573 K N 0.663 121.095 120.400 0.055 0.000 5.163 1573 K HA -0.198 4.153 4.320 0.051 0.000 0.320 1573 K C -0.889 175.737 176.600 0.043 0.000 0.822 1573 K CA 0.834 57.157 56.287 0.059 0.000 0.981 1573 K CB -2.259 30.285 32.500 0.073 0.000 1.877 1573 K HN 0.221 nan 8.250 nan 0.000 0.400 1574 L N 0.640 121.856 121.223 -0.011 0.000 2.376 1574 L HA 0.652 5.023 4.340 0.051 0.000 0.267 1574 L C 0.385 177.306 176.870 0.085 0.000 1.035 1574 L CA -1.056 53.770 54.840 -0.023 0.000 0.800 1574 L CB 1.533 43.389 42.059 -0.339 0.000 1.290 1574 L HN 0.643 nan 8.230 nan 0.000 0.462 1575 E N 0.019 120.294 120.200 0.125 0.000 2.363 1575 E HA 0.205 4.586 4.350 0.051 0.000 0.281 1575 E C -1.337 175.317 176.600 0.090 0.000 0.953 1575 E CA -0.610 55.846 56.400 0.094 0.000 0.778 1575 E CB 1.986 31.723 29.700 0.062 0.000 1.220 1575 E HN 0.588 nan 8.360 nan 0.000 0.431 1576 E N 2.509 122.752 120.200 0.072 0.000 2.492 1576 E HA -0.109 4.272 4.350 0.051 0.000 0.266 1576 E C 0.171 176.777 176.600 0.010 0.000 1.187 1576 E CA 0.119 56.551 56.400 0.054 0.000 1.036 1576 E CB 0.369 30.094 29.700 0.042 0.000 0.994 1576 E HN 0.494 nan 8.360 nan 0.000 0.468 1577 K N -0.819 119.580 120.400 -0.000 0.000 3.572 1577 K HA -0.216 4.135 4.320 0.051 0.000 0.306 1577 K C -0.416 176.078 176.600 -0.176 0.000 1.286 1577 K CA 1.479 57.731 56.287 -0.058 0.000 1.010 1577 K CB -0.876 31.585 32.500 -0.065 0.000 1.268 1577 K HN 0.451 nan 8.250 nan 0.000 0.438 1578 K N 0.640 120.956 120.400 -0.140 0.000 2.123 1578 K HA 0.298 4.649 4.320 0.051 0.000 0.259 1578 K C -0.222 176.215 176.600 -0.271 0.000 0.960 1578 K CA -0.627 55.464 56.287 -0.326 0.000 0.872 1578 K CB 0.890 33.190 32.500 -0.333 0.000 1.079 1578 K HN 0.040 nan 8.250 nan 0.000 0.440 1579 H N 1.297 120.092 119.070 -0.458 0.000 2.463 1579 H HA 0.353 4.939 4.556 0.051 0.000 0.332 1579 H C -0.840 174.143 175.328 -0.574 0.000 1.127 1579 H CA -0.324 55.497 56.048 -0.379 0.000 1.238 1579 H CB 0.688 30.223 29.762 -0.378 0.000 1.478 1579 H HN 0.455 nan 8.280 nan 0.000 0.499 1580 Y N 0.324 120.704 120.300 0.133 0.000 2.634 1580 Y HA 0.350 4.930 4.550 0.051 0.000 0.340 1580 Y C -0.597 175.438 175.900 0.225 0.000 1.058 1580 Y CA -1.106 57.038 58.100 0.074 0.000 1.081 1580 Y CB 1.717 40.082 38.460 -0.159 0.000 1.295 1580 Y HN 0.358 nan 8.280 nan 0.000 0.487 1581 L N 2.481 123.845 121.223 0.235 0.000 2.341 1581 L HA 0.700 5.070 4.340 0.051 0.000 0.278 1581 L C -1.406 175.505 176.870 0.067 0.000 1.005 1581 L CA -1.038 53.901 54.840 0.165 0.000 0.818 1581 L CB 1.211 43.219 42.059 -0.085 0.000 1.259 1581 L HN 0.622 nan 8.230 nan 0.000 0.418 1582 M N 4.836 124.574 119.600 0.230 0.000 2.213 1582 M HA 0.251 4.762 4.480 0.051 0.000 0.286 1582 M C -0.395 176.093 176.300 0.314 0.000 1.008 1582 M CA -0.387 55.046 55.300 0.221 0.000 0.937 1582 M CB 2.020 34.712 32.600 0.153 0.000 1.600 1582 M HN 0.626 nan 8.290 nan 0.000 0.450 1583 W N 1.590 122.830 121.300 -0.101 0.000 1.757 1583 W HA 0.549 5.240 4.660 0.051 0.000 0.614 1583 W C 0.837 176.943 176.519 -0.689 0.000 1.321 1583 W CA 0.575 57.779 57.345 -0.234 0.000 1.000 1583 W CB -0.047 29.406 29.460 -0.012 0.000 3.199 1583 W HN 0.771 nan 8.180 nan 0.000 0.735 1584 G N 0.099 108.848 108.800 -0.086 0.000 2.675 1584 G HA2 -0.141 3.850 3.960 0.051 0.000 0.686 1584 G HA3 -0.141 3.850 3.960 0.051 0.000 0.686 1584 G C -1.279 173.497 174.900 -0.208 0.000 1.215 1584 G CA -0.911 44.067 45.100 -0.203 0.000 0.777 1584 G HN 0.308 nan 8.290 nan 0.000 0.638 1585 L N 0.303 121.518 121.223 -0.014 0.000 2.397 1585 L HA 0.649 5.020 4.340 0.051 0.000 0.266 1585 L C 1.788 178.551 176.870 -0.179 0.000 1.040 1585 L CA -0.595 54.215 54.840 -0.051 0.000 0.800 1585 L CB 1.284 43.316 42.059 -0.045 0.000 1.324 1585 L HN 0.590 nan 8.230 nan 0.000 0.469 1586 S N -0.587 114.989 115.700 -0.206 0.000 2.446 1586 S HA -0.089 4.412 4.470 0.051 0.000 0.225 1586 S C 1.620 175.965 174.600 -0.425 0.000 1.016 1586 S CA 1.029 58.997 58.200 -0.386 0.000 0.943 1586 S CB -0.058 63.121 63.200 -0.035 0.000 0.786 1586 S HN 0.779 nan 8.310 nan 0.000 0.508 1587 S N 1.085 116.660 115.700 -0.208 0.000 2.660 1587 S HA 0.054 4.555 4.470 0.051 0.000 0.228 1587 S C 0.380 174.899 174.600 -0.134 0.000 0.966 1587 S CA 0.363 58.498 58.200 -0.109 0.000 0.940 1587 S CB -0.128 63.047 63.200 -0.041 0.000 0.773 1587 S HN 0.268 nan 8.310 nan 0.000 0.535 1588 D N 0.103 120.321 120.400 -0.302 0.000 2.407 1588 D HA 0.308 4.979 4.640 0.051 0.000 0.208 1588 D C -0.103 176.092 176.300 -0.174 0.000 1.083 1588 D CA -0.175 53.696 54.000 -0.214 0.000 0.844 1588 D CB 0.045 40.769 40.800 -0.127 0.000 0.967 1588 D HN 0.310 nan 8.370 nan 0.000 0.506 1589 F N 0.136 120.055 119.950 -0.052 0.000 2.472 1589 F HA 0.234 4.792 4.527 0.051 0.000 0.312 1589 F C 0.629 176.541 175.800 0.188 0.000 1.256 1589 F CA -0.605 57.334 58.000 -0.101 0.000 1.275 1589 F CB 0.356 39.247 39.000 -0.183 0.000 1.228 1589 F HN -0.122 nan 8.300 nan 0.000 0.567 1590 W N 0.718 122.053 121.300 0.059 0.000 2.916 1590 W HA 0.421 5.111 4.660 0.051 0.000 0.317 1590 W C -0.338 176.157 176.519 -0.040 0.000 1.047 1590 W CA -0.431 56.908 57.345 -0.011 0.000 1.234 1590 W CB 1.364 30.803 29.460 -0.035 0.000 1.143 1590 W HN 0.840 nan 8.180 nan 0.000 0.372 1591 G N 2.996 111.680 108.800 -0.193 0.000 2.699 1591 G HA2 -0.191 3.799 3.960 0.051 0.000 0.686 1591 G HA3 -0.191 3.799 3.960 0.051 0.000 0.686 1591 G C -0.669 174.157 174.900 -0.124 0.000 1.301 1591 G CA -1.009 43.961 45.100 -0.217 0.000 0.816 1591 G HN 0.343 nan 8.290 nan 0.000 0.595 1592 E N 0.750 120.877 120.200 -0.122 0.000 2.374 1592 E HA 0.300 4.681 4.350 0.051 0.000 0.260 1592 E C 0.970 177.504 176.600 -0.109 0.000 1.101 1592 E CA -0.473 55.866 56.400 -0.101 0.000 0.907 1592 E CB 0.892 30.541 29.700 -0.084 0.000 1.014 1592 E HN 0.589 nan 8.360 nan 0.000 0.427 1593 K N 1.926 122.255 120.400 -0.117 0.000 2.542 1593 K HA -0.054 4.297 4.320 0.051 0.000 0.276 1593 K C -1.375 175.176 176.600 -0.081 0.000 0.963 1593 K CA -0.547 55.672 56.287 -0.114 0.000 0.975 1593 K CB 0.226 32.661 32.500 -0.108 0.000 0.901 1593 K HN 0.295 nan 8.250 nan 0.000 0.506 1594 P HA 0.014 nan 4.420 nan 0.000 0.253 1594 P C -0.899 176.356 177.300 -0.075 0.000 1.260 1594 P CA 0.497 63.552 63.100 -0.075 0.000 0.800 1594 P CB 0.310 31.979 31.700 -0.053 0.000 1.162 1595 N N 0.885 119.539 118.700 -0.077 0.000 3.025 1595 N HA 0.184 4.954 4.740 0.051 0.000 0.315 1595 N C -0.335 175.131 175.510 -0.073 0.000 1.511 1595 N CA -0.196 52.818 53.050 -0.059 0.000 1.097 1595 N CB 0.497 38.956 38.487 -0.047 0.000 1.395 1595 N HN 0.232 nan 8.380 nan 0.000 0.511 1596 L N 1.025 122.180 121.223 -0.113 0.000 2.312 1596 L HA 0.179 4.550 4.340 0.051 0.000 0.287 1596 L C 0.528 177.359 176.870 -0.065 0.000 1.091 1596 L CA -0.055 54.681 54.840 -0.173 0.000 0.846 1596 L CB 0.400 42.189 42.059 -0.450 0.000 1.219 1596 L HN 0.090 nan 8.230 nan 0.000 0.439 1597 S N 2.277 118.012 115.700 0.058 0.000 2.564 1597 S HA 0.304 4.805 4.470 0.051 0.000 0.278 1597 S C -0.477 174.238 174.600 0.191 0.000 1.333 1597 S CA -0.281 58.025 58.200 0.175 0.000 1.048 1597 S CB 0.332 63.680 63.200 0.246 0.000 0.900 1597 S HN 0.191 nan 8.310 nan 0.000 0.505 1598 Y N 1.953 122.180 120.300 -0.122 0.000 2.403 1598 Y HA 0.555 5.136 4.550 0.051 0.000 0.323 1598 Y C 0.592 176.449 175.900 -0.072 0.000 1.226 1598 Y CA -0.985 57.029 58.100 -0.143 0.000 1.235 1598 Y CB 0.622 38.698 38.460 -0.639 0.000 1.248 1598 Y HN 0.397 nan 8.280 nan 0.000 0.489 1599 I N 3.542 124.185 120.570 0.123 0.000 2.509 1599 I HA 0.362 4.563 4.170 0.051 0.000 0.293 1599 I C -0.819 175.394 176.117 0.160 0.000 1.020 1599 I CA -0.778 60.542 61.300 0.034 0.000 1.088 1599 I CB 1.824 39.703 38.000 -0.201 0.000 1.267 1599 I HN 0.379 nan 8.210 nan 0.000 0.430 1600 I N 5.033 125.711 120.570 0.180 0.000 2.312 1600 I HA 0.501 4.702 4.170 0.051 0.000 0.291 1600 I C 0.649 176.843 176.117 0.127 0.000 1.031 1600 I CA 0.092 61.503 61.300 0.185 0.000 1.293 1600 I CB 1.190 39.285 38.000 0.157 0.000 1.403 1600 I HN 0.689 nan 8.210 nan 0.000 0.484 1601 G N 4.145 113.019 108.800 0.123 0.000 2.949 1601 G HA2 0.313 4.304 3.960 0.051 0.000 0.285 1601 G HA3 0.313 4.304 3.960 0.051 0.000 0.285 1601 G C 0.494 175.458 174.900 0.107 0.000 1.395 1601 G CA -0.595 44.557 45.100 0.086 0.000 0.901 1601 G HN 0.702 nan 8.290 nan 0.000 0.519 1602 K N -1.026 119.405 120.400 0.052 0.000 2.270 1602 K HA -0.270 4.081 4.320 0.051 0.000 0.208 1602 K C 0.682 177.307 176.600 0.042 0.000 1.041 1602 K CA 2.587 58.888 56.287 0.024 0.000 0.935 1602 K CB -0.080 32.410 32.500 -0.017 0.000 0.731 1602 K HN 0.320 nan 8.250 nan 0.000 0.482 1603 D N 0.601 121.039 120.400 0.063 0.000 2.369 1603 D HA 0.061 4.731 4.640 0.051 0.000 0.211 1603 D C -0.305 176.069 176.300 0.122 0.000 1.077 1603 D CA 0.307 54.348 54.000 0.067 0.000 0.842 1603 D CB 0.558 41.386 40.800 0.046 0.000 0.947 1603 D HN 0.331 nan 8.370 nan 0.000 0.509 1604 T N -0.274 114.385 114.554 0.176 0.000 2.907 1604 T HA 0.201 4.582 4.350 0.051 0.000 0.284 1604 T C -0.329 174.536 174.700 0.275 0.000 1.004 1604 T CA -0.635 61.596 62.100 0.219 0.000 1.063 1604 T CB 1.956 70.948 68.868 0.208 0.000 0.992 1604 T HN 0.077 nan 8.240 nan 0.000 0.483 1605 W N 2.916 124.125 121.300 -0.152 0.000 2.376 1605 W HA 0.603 5.294 4.660 0.051 0.000 0.312 1605 W C -1.506 174.853 176.519 -0.266 0.000 1.060 1605 W CA -0.903 56.211 57.345 -0.385 0.000 1.221 1605 W CB 1.011 29.621 29.460 -1.416 0.000 1.281 1605 W HN 0.373 nan 8.180 nan 0.000 0.456 1606 V N 6.494 126.055 119.914 -0.589 0.000 2.448 1606 V HA 0.333 4.484 4.120 0.051 0.000 0.295 1606 V C -0.817 174.660 176.094 -1.029 0.000 1.025 1606 V CA -0.368 61.317 62.300 -1.025 0.000 0.859 1606 V CB 1.812 32.535 31.823 -1.833 0.000 0.988 1606 V HN 0.606 nan 8.190 nan 0.000 0.431 1607 E N 4.110 123.881 120.200 -0.715 0.000 2.275 1607 E HA 0.280 4.661 4.350 0.051 0.000 0.270 1607 E C -0.994 175.585 176.600 -0.034 0.000 0.882 1607 E CA -0.816 55.252 56.400 -0.554 0.000 0.758 1607 E CB 1.139 30.336 29.700 -0.838 0.000 1.195 1607 E HN 0.846 nan 8.360 nan 0.000 0.419 1608 H N 4.420 123.456 119.070 -0.058 0.000 3.192 1608 H HA -0.131 4.456 4.556 0.051 0.000 0.295 1608 H C -1.143 174.096 175.328 -0.148 0.000 0.943 1608 H CA 0.870 56.835 56.048 -0.138 0.000 1.416 1608 H CB 0.265 29.986 29.762 -0.067 0.000 1.434 1608 H HN 0.409 nan 8.280 nan 0.000 0.565 1609 W N 8.911 130.011 121.300 -0.333 0.000 2.296 1609 W HA 0.290 4.980 4.660 0.051 0.000 0.316 1609 W C -2.508 173.968 176.519 -0.071 0.000 1.022 1609 W CA -3.036 54.236 57.345 -0.121 0.000 1.324 1609 W CB 0.703 30.088 29.460 -0.126 0.000 1.227 1609 W HN 0.555 nan 8.180 nan 0.000 0.409 1610 P HA -0.097 nan 4.420 nan 0.000 0.265 1610 P C 0.025 177.426 177.300 0.167 0.000 1.187 1610 P CA 0.639 63.905 63.100 0.277 0.000 0.766 1610 P CB 0.855 32.680 31.700 0.208 0.000 0.820 1611 E N 1.422 121.636 120.200 0.024 0.000 2.421 1611 E HA -0.003 4.378 4.350 0.051 0.000 0.253 1611 E C 1.255 177.856 176.600 0.002 0.000 1.277 1611 E CA 0.066 56.428 56.400 -0.063 0.000 0.968 1611 E CB 0.279 29.906 29.700 -0.122 0.000 1.040 1611 E HN 0.377 nan 8.360 nan 0.000 0.512 1612 E N 0.291 120.483 120.200 -0.015 0.000 2.021 1612 E HA -0.262 4.119 4.350 0.051 0.000 0.200 1612 E C 1.531 178.144 176.600 0.022 0.000 1.015 1612 E CA 1.670 58.077 56.400 0.011 0.000 0.824 1612 E CB -0.158 29.542 29.700 -0.001 0.000 0.762 1612 E HN 0.676 nan 8.360 nan 0.000 0.454 1613 D N 0.557 120.962 120.400 0.008 0.000 2.182 1613 D HA -0.240 4.431 4.640 0.051 0.000 0.201 1613 D C 1.633 177.943 176.300 0.017 0.000 0.986 1613 D CA 1.192 55.199 54.000 0.010 0.000 0.847 1613 D CB -0.361 40.439 40.800 0.000 0.000 0.942 1613 D HN 0.217 nan 8.370 nan 0.000 0.467 1614 E N -0.467 119.744 120.200 0.018 0.000 2.418 1614 E HA -0.059 4.322 4.350 0.051 0.000 0.197 1614 E C 1.738 178.362 176.600 0.039 0.000 1.026 1614 E CA 0.048 56.462 56.400 0.024 0.000 0.862 1614 E CB -0.048 29.667 29.700 0.024 0.000 0.799 1614 E HN 0.281 nan 8.360 nan 0.000 0.518 1615 c N 0.903 119.535 118.600 0.055 0.000 2.413 1615 c HA -0.113 4.488 4.570 0.051 0.000 0.276 1615 c C 1.316 175.432 174.090 0.044 0.000 1.236 1615 c CA 0.504 56.873 56.329 0.066 0.000 1.735 1615 c CB -0.628 41.935 42.510 0.088 0.000 2.031 1615 c HN 0.423 nan 8.230 nan 0.000 0.474 1616 Q N 1.480 121.301 119.800 0.035 0.000 2.580 1616 Q HA 0.111 4.482 4.340 0.051 0.000 0.232 1616 Q C -0.731 175.280 176.000 0.018 0.000 1.326 1616 Q CA 0.737 56.556 55.803 0.026 0.000 0.887 1616 Q CB -0.257 28.494 28.738 0.022 0.000 1.617 1616 Q HN 0.552 nan 8.270 nan 0.000 0.554 1617 D N 1.360 121.769 120.400 0.016 0.000 2.931 1617 D HA 0.042 4.713 4.640 0.051 0.000 0.215 1617 D C -0.919 175.384 176.300 0.005 0.000 1.297 1617 D CA -0.396 53.609 54.000 0.009 0.000 0.892 1617 D CB 1.282 42.086 40.800 0.006 0.000 1.642 1617 D HN 0.268 nan 8.370 nan 0.000 0.560 1618 E N 2.125 122.327 120.200 0.003 0.000 2.860 1618 E HA 0.080 4.460 4.350 0.051 0.000 0.318 1618 E C 0.345 176.942 176.600 -0.005 0.000 1.481 1618 E CA 0.485 56.885 56.400 0.000 0.000 1.613 1618 E CB 0.513 30.214 29.700 0.001 0.000 1.279 1618 E HN 0.419 nan 8.360 nan 0.000 0.489 1619 E N -0.271 119.924 120.200 -0.008 0.000 1.974 1619 E HA 0.041 4.422 4.350 0.051 0.000 0.196 1619 E C 0.306 176.892 176.600 -0.025 0.000 0.972 1619 E CA -0.014 56.376 56.400 -0.017 0.000 1.303 1619 E CB 0.458 30.146 29.700 -0.020 0.000 3.584 1619 E HN 0.091 nan 8.360 nan 0.000 0.907 1620 N N 0.737 119.428 118.700 -0.015 0.000 2.240 1620 N HA 0.059 4.830 4.740 0.051 0.000 0.240 1620 N C 0.902 176.415 175.510 0.005 0.000 1.277 1620 N CA 0.097 53.138 53.050 -0.014 0.000 0.873 1620 N CB 1.004 39.484 38.487 -0.010 0.000 1.222 1620 N HN 0.100 nan 8.380 nan 0.000 0.507 1621 Q N 1.499 121.302 119.800 0.005 0.000 2.020 1621 Q HA -0.068 4.303 4.340 0.051 0.000 0.202 1621 Q C 1.549 177.558 176.000 0.015 0.000 0.982 1621 Q CA 1.553 57.364 55.803 0.014 0.000 0.838 1621 Q CB 0.325 29.069 28.738 0.010 0.000 0.899 1621 Q HN 0.175 nan 8.270 nan 0.000 0.423 1622 K N 0.144 120.547 120.400 0.006 0.000 2.007 1622 K HA -0.193 4.158 4.320 0.051 0.000 0.206 1622 K C 2.175 178.775 176.600 0.000 0.000 1.047 1622 K CA 1.386 57.676 56.287 0.005 0.000 0.937 1622 K CB -0.406 32.094 32.500 0.001 0.000 0.718 1622 K HN 0.359 nan 8.250 nan 0.000 0.438 1623 Q N 1.145 120.936 119.800 -0.015 0.000 2.112 1623 Q HA -0.209 4.161 4.340 0.051 0.000 0.206 1623 Q C 2.224 178.191 176.000 -0.056 0.000 0.987 1623 Q CA 1.786 57.563 55.803 -0.043 0.000 0.858 1623 Q CB -0.205 28.499 28.738 -0.057 0.000 0.905 1623 Q HN 0.319 nan 8.270 nan 0.000 0.420 1624 c N 0.492 119.090 118.600 -0.003 0.000 2.425 1624 c HA -0.138 4.463 4.570 0.051 0.000 0.277 1624 c C 2.751 176.886 174.090 0.074 0.000 1.280 1624 c CA 1.306 57.670 56.329 0.058 0.000 1.744 1624 c CB -0.798 41.772 42.510 0.099 0.000 1.989 1624 c HN 0.680 nan 8.230 nan 0.000 0.491 1625 Q N 0.229 120.060 119.800 0.052 0.000 2.049 1625 Q HA -0.159 4.212 4.340 0.051 0.000 0.198 1625 Q C 1.614 177.649 176.000 0.059 0.000 0.971 1625 Q CA 1.764 57.604 55.803 0.062 0.000 0.833 1625 Q CB -0.058 28.708 28.738 0.046 0.000 0.896 1625 Q HN 0.566 nan 8.270 nan 0.000 0.434 1626 D N 0.325 120.744 120.400 0.032 0.000 2.117 1626 D HA -0.136 4.535 4.640 0.051 0.000 0.198 1626 D C 1.865 178.189 176.300 0.039 0.000 0.982 1626 D CA 0.901 54.925 54.000 0.040 0.000 0.828 1626 D CB -0.123 40.691 40.800 0.023 0.000 0.967 1626 D HN 0.274 nan 8.370 nan 0.000 0.464 1627 L N -0.031 121.142 121.223 -0.083 0.000 2.131 1627 L HA -0.039 4.332 4.340 0.051 0.000 0.210 1627 L C 1.991 178.862 176.870 0.000 0.000 1.092 1627 L CA 1.245 55.921 54.840 -0.274 0.000 0.759 1627 L CB -0.297 41.277 42.059 -0.807 0.000 0.903 1627 L HN 0.078 nan 8.230 nan 0.000 0.435 1628 G N -1.726 107.164 108.800 0.151 0.000 3.448 1628 G HA2 0.365 4.355 3.960 0.051 0.000 0.261 1628 G HA3 0.365 4.355 3.960 0.051 0.000 0.261 1628 G C 0.983 175.996 174.900 0.189 0.000 1.173 1628 G CA 0.562 45.819 45.100 0.263 0.000 0.835 1628 G HN 0.366 nan 8.290 nan 0.000 0.534 1629 A N 0.017 122.939 122.820 0.170 0.000 1.999 1629 A HA 0.349 4.700 4.320 0.051 0.000 0.200 1629 A C 1.662 179.338 177.584 0.152 0.000 1.363 1629 A CA 0.281 52.397 52.037 0.133 0.000 0.844 1629 A CB -0.324 18.734 19.000 0.097 0.000 0.954 1629 A HN 0.315 nan 8.150 nan 0.000 0.481 1630 F N 2.458 122.427 119.950 0.032 0.000 2.115 1630 F HA -0.262 4.296 4.527 0.051 0.000 0.300 1630 F C 2.249 178.079 175.800 0.050 0.000 1.092 1630 F CA 2.611 60.629 58.000 0.030 0.000 1.245 1630 F CB -0.308 38.705 39.000 0.022 0.000 0.995 1630 F HN 0.242 nan 8.300 nan 0.000 0.481 1631 T N -0.847 113.891 114.554 0.307 0.000 2.770 1631 T HA -0.196 4.185 4.350 0.051 0.000 0.263 1631 T C 1.723 176.473 174.700 0.083 0.000 1.039 1631 T CA 1.365 63.600 62.100 0.225 0.000 1.142 1631 T CB -0.471 68.603 68.868 0.344 0.000 0.868 1631 T HN 0.393 nan 8.240 nan 0.000 0.435 1632 E N 0.945 121.204 120.200 0.099 0.000 2.118 1632 E HA -0.171 4.210 4.350 0.051 0.000 0.195 1632 E C 2.399 179.044 176.600 0.075 0.000 0.992 1632 E CA 1.240 57.693 56.400 0.088 0.000 0.804 1632 E CB -0.175 29.582 29.700 0.095 0.000 0.741 1632 E HN 0.440 nan 8.360 nan 0.000 0.458 1633 S N -0.230 115.470 115.700 -0.001 0.000 2.353 1633 S HA -0.199 4.302 4.470 0.051 0.000 0.222 1633 S C 1.974 176.564 174.600 -0.018 0.000 1.035 1633 S CA 1.653 59.822 58.200 -0.052 0.000 1.025 1633 S CB -0.162 62.922 63.200 -0.192 0.000 0.902 1633 S HN 0.254 nan 8.310 nan 0.000 0.440 1634 M N 0.784 120.304 119.600 -0.133 0.000 2.229 1634 M HA 0.004 4.514 4.480 0.051 0.000 0.264 1634 M C 2.248 178.547 176.300 -0.003 0.000 1.063 1634 M CA 0.870 56.098 55.300 -0.120 0.000 1.114 1634 M CB -1.265 31.191 32.600 -0.241 0.000 1.387 1634 M HN 0.265 nan 8.290 nan 0.000 0.420 1635 V N 0.164 120.097 119.914 0.033 0.000 2.221 1635 V HA -0.186 3.964 4.120 0.051 0.000 0.242 1635 V C 2.585 178.709 176.094 0.050 0.000 1.041 1635 V CA 1.569 63.900 62.300 0.051 0.000 0.995 1635 V CB -0.729 31.132 31.823 0.064 0.000 0.635 1635 V HN 0.193 nan 8.190 nan 0.000 0.448 1636 V N -0.962 118.998 119.914 0.076 0.000 2.343 1636 V HA -0.209 3.941 4.120 0.051 0.000 0.247 1636 V C 2.068 178.114 176.094 -0.080 0.000 1.051 1636 V CA 2.147 64.450 62.300 0.005 0.000 1.036 1636 V CB -0.708 31.133 31.823 0.030 0.000 0.654 1636 V HN 0.404 nan 8.190 nan 0.000 0.451 1637 F N 0.127 120.058 119.950 -0.032 0.000 2.208 1637 F HA 0.531 5.089 4.527 0.051 0.000 0.282 1637 F C 1.568 177.343 175.800 -0.042 0.000 1.071 1637 F CA 0.988 58.966 58.000 -0.037 0.000 1.228 1637 F CB -0.730 38.243 39.000 -0.046 0.000 1.088 1637 F HN 0.277 nan 8.300 nan 0.000 0.512 1638 G N -0.153 108.734 108.800 0.146 0.000 2.862 1638 G HA2 -0.214 3.777 3.960 0.051 0.000 0.686 1638 G HA3 -0.214 3.777 3.960 0.051 0.000 0.686 1638 G C -0.408 174.519 174.900 0.045 0.000 1.134 1638 G CA -1.198 43.931 45.100 0.049 0.000 0.791 1638 G HN 0.524 nan 8.290 nan 0.000 0.592 1639 C N 3.543 122.831 119.300 -0.019 0.000 2.041 1639 C HA 0.199 4.690 4.460 0.051 0.000 0.416 1639 C C -0.130 174.863 174.990 0.005 0.000 1.521 1639 C CA -0.004 58.994 59.018 -0.034 0.000 1.444 1639 C CB -0.644 27.064 27.740 -0.053 0.000 2.659 1639 C HN 0.674 nan 8.230 nan 0.000 0.615 1640 P HA -0.023 nan 4.420 nan 0.000 0.269 1640 P C 0.703 178.017 177.300 0.023 0.000 1.376 1640 P CA 0.433 63.562 63.100 0.047 0.000 0.775 1640 P CB -0.220 31.511 31.700 0.051 0.000 1.345 1641 N N 0.000 118.705 118.700 0.008 0.000 1.763 1641 N HA 0.000 4.771 4.740 0.051 0.000 0.220 1641 N CA 0.000 53.053 53.050 0.004 0.000 0.885 1641 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667