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 2win_1_F DATA FIRST_RESID 729 DATA SEQUENCE LDEDIIAEEN IVSRSEFPES WLWNVEDLKE PPKNGISTKL MNIFLKDSIT DATA SEQUENCE TWEILAVSMS DKKGICVADP FEVTVMQDFF IDLRLPYSVV RNEQVEIRAV DATA SEQUENCE LYNYRQNQEL KVRVELLHNP AFcSLATTKR RHQQTVTIPP KSSLSVPYVI DATA SEQUENCE VPLKTGLQEV EVKAAVYHHF ISDGVRKSLK VVPEGIRMNK TVAVRTLDPE DATA SEQUENCE RLGREGVQKE DIPPADLSDQ VPDTESETRI LLQGTPVAQM TEDAVDAERL DATA SEQUENCE KHLIVTPSGC GEQNMIGMTP TVIAVHYLDE TEQWEKFGLE KRQGALELIK DATA SEQUENCE KGYTQQLAFR QPSXXXXAFV KRAPSTWLTA YVVKVFSLAV NLIAIDSQVL DATA SEQUENCE cGAVKWLILE KQKPDGVFQE DAPVIHQEMI GGLRNNNEKD MALTAFVLIS DATA SEQUENCE LQEAKDIcEE QVNSLPGSIT KAGDFLEANY MNLQRSYTVA IAGYALAQMG DATA SEQUENCE RLKGPLLNKF LTTAKDKNRW EDPGKQLYNV EATSYALLAL LQLKDFDFVP DATA SEQUENCE PVVRWLNEQR YYGGGYGSTQ ATFMVFQALA QYQKDAPDHQ ELNLDVSLQL DATA SEQUENCE PSRSSKITHR IHWESASLLR SEETKENEGF TVTAEGKGQG TLSVVTMYHA DATA SEQUENCE KAKDQLTcNK FDLKVTIKPA PXXXXXXXXX KNTMILEIcT RYRGDQDATM DATA SEQUENCE SILDISMMTG FAPDTDDLKQ LANGVDRYIS KYELDKAFSD RNTLIIYLDK DATA SEQUENCE VSHSEDDcLA FKVHQYFNVE LIQPGAVKVY AYYNLEEScT RFYHPEKEDG DATA SEQUENCE KLNKLcRDEL cRcAEENcFI QKSDDKVTLE ERLDKAcEPG VDYVYKTRLV DATA SEQUENCE KVQLSNDFDE YIMAIEQTIK SGSDEVQVGQ QRTFISPIKc REALKLEEKK DATA SEQUENCE HYLMWGLSSD FWGEKPNLSY IIGKDTWVEH WPEEDEcQDE ENQKQcQDLG DATA SEQUENCE AFTESMVVFG cPN 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 729 L HA 0.000 nan 4.340 nan 0.000 0.249 729 L C 0.000 176.878 176.870 0.014 0.000 1.165 729 L CA 0.000 54.845 54.840 0.009 0.000 0.813 729 L CB 0.000 42.063 42.059 0.007 0.000 0.961 730 D N -0.414 119.993 120.400 0.012 0.000 2.389 730 D HA 0.155 4.795 4.640 -0.000 0.000 0.206 730 D C 0.797 177.103 176.300 0.010 0.000 1.055 730 D CA 0.706 54.718 54.000 0.019 0.000 0.856 730 D CB 0.677 41.489 40.800 0.020 0.000 0.957 730 D HN 0.787 nan 8.370 nan 0.000 0.509 731 E N 0.559 120.750 120.200 -0.014 0.000 2.442 731 E HA -0.065 4.285 4.350 -0.000 0.000 0.260 731 E C -0.116 176.425 176.600 -0.098 0.000 1.148 731 E CA 0.102 56.472 56.400 -0.048 0.000 0.976 731 E CB 0.442 30.103 29.700 -0.066 0.000 0.967 731 E HN 0.009 nan 8.360 nan 0.000 0.454 732 D N 2.006 122.301 120.400 -0.174 0.000 3.032 732 D HA 0.184 4.824 4.640 -0.000 0.000 0.241 732 D C -0.767 175.204 176.300 -0.549 0.000 1.196 732 D CA 0.327 54.148 54.000 -0.299 0.000 0.927 732 D CB -0.600 40.012 40.800 -0.314 0.000 1.129 732 D HN 0.292 nan 8.370 nan 0.000 0.458 733 I N -0.231 120.074 120.570 -0.441 0.000 3.334 733 I HA 0.337 4.507 4.170 -0.000 0.000 0.316 733 I C -1.236 174.750 176.117 -0.218 0.000 1.251 733 I CA -1.216 59.793 61.300 -0.484 0.000 0.929 733 I CB 1.735 39.333 38.000 -0.670 0.000 1.317 733 I HN -0.303 nan 8.210 nan 0.000 0.479 734 I N 2.779 123.257 120.570 -0.152 0.000 2.359 734 I HA 0.503 4.672 4.170 -0.000 0.000 0.294 734 I C 0.547 176.646 176.117 -0.031 0.000 0.987 734 I CA 0.009 61.301 61.300 -0.014 0.000 1.225 734 I CB 1.475 39.506 38.000 0.052 0.000 1.366 734 I HN 0.520 nan 8.210 nan 0.000 0.466 735 A N 4.799 127.619 122.820 -0.000 0.000 2.366 735 A HA 0.172 4.492 4.320 -0.000 0.000 0.250 735 A C 1.395 178.989 177.584 0.017 0.000 1.099 735 A CA -0.126 51.912 52.037 0.001 0.000 0.794 735 A CB 0.207 19.215 19.000 0.013 0.000 1.056 735 A HN 0.812 nan 8.150 nan 0.000 0.499 736 E N -0.081 120.131 120.200 0.020 0.000 2.150 736 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 736 E C 1.136 177.757 176.600 0.036 0.000 0.985 736 E CA 1.582 58.001 56.400 0.031 0.000 0.814 736 E CB -0.021 29.700 29.700 0.034 0.000 0.752 736 E HN 0.718 nan 8.360 nan 0.000 0.466 737 E N 0.086 120.306 120.200 0.033 0.000 2.478 737 E HA -0.004 4.346 4.350 -0.000 0.000 0.198 737 E C 0.766 177.387 176.600 0.035 0.000 1.046 737 E CA 0.456 56.875 56.400 0.033 0.000 0.870 737 E CB -0.097 29.621 29.700 0.030 0.000 0.818 737 E HN 0.309 nan 8.360 nan 0.000 0.527 738 N N -0.394 118.329 118.700 0.039 0.000 2.187 738 N HA 0.219 4.959 4.740 -0.000 0.000 0.212 738 N C -0.591 174.951 175.510 0.053 0.000 1.152 738 N CA -0.084 52.992 53.050 0.044 0.000 0.872 738 N CB 0.822 39.339 38.487 0.049 0.000 1.025 738 N HN 0.024 nan 8.380 nan 0.000 0.514 739 I N 1.929 122.531 120.570 0.053 0.000 2.337 739 I HA 0.201 4.371 4.170 -0.000 0.000 0.285 739 I C -0.421 175.730 176.117 0.056 0.000 1.041 739 I CA -0.668 60.670 61.300 0.064 0.000 1.199 739 I CB 1.362 39.405 38.000 0.072 0.000 1.370 739 I HN -0.224 nan 8.210 nan 0.000 0.470 740 V N 5.759 125.705 119.914 0.052 0.000 2.415 740 V HA 0.084 4.204 4.120 -0.000 0.000 0.267 740 V C 0.751 176.873 176.094 0.046 0.000 1.042 740 V CA 0.008 62.333 62.300 0.041 0.000 1.000 740 V CB 0.733 32.574 31.823 0.030 0.000 1.015 740 V HN 0.718 nan 8.190 nan 0.000 0.478 741 S N 5.629 121.357 115.700 0.046 0.000 2.576 741 S HA 0.354 4.824 4.470 -0.000 0.000 0.276 741 S C 0.370 174.992 174.600 0.037 0.000 1.339 741 S CA -0.570 57.667 58.200 0.061 0.000 1.039 741 S CB 0.455 63.696 63.200 0.068 0.000 0.902 741 S HN 0.653 nan 8.310 nan 0.000 0.516 742 R N 1.431 121.970 120.500 0.065 0.000 2.298 742 R HA 0.244 4.583 4.340 -0.000 0.000 0.310 742 R C 0.877 177.100 176.300 -0.128 0.000 1.068 742 R CA -0.135 55.934 56.100 -0.052 0.000 0.957 742 R CB 0.667 30.979 30.300 0.020 0.000 1.003 742 R HN 0.820 nan 8.270 nan 0.000 0.454 743 S N 1.159 116.648 115.700 -0.351 0.000 2.670 743 S HA 0.026 4.496 4.470 -0.000 0.000 0.241 743 S C 0.238 174.522 174.600 -0.527 0.000 1.077 743 S CA -0.497 57.552 58.200 -0.251 0.000 0.899 743 S CB 0.256 63.412 63.200 -0.072 0.000 0.835 743 S HN 0.550 nan 8.310 nan 0.000 0.481 744 E N 1.559 121.400 120.200 -0.599 0.000 1.985 744 E HA 0.161 4.511 4.350 -0.000 0.000 0.268 744 E C -1.442 174.792 176.600 -0.610 0.000 1.219 744 E CA 0.011 56.139 56.400 -0.453 0.000 0.942 744 E CB -0.136 29.365 29.700 -0.332 0.000 1.045 744 E HN 0.479 nan 8.360 nan 0.000 0.413 745 F N 3.194 123.168 119.950 0.040 0.000 2.530 745 F HA 0.278 4.805 4.527 -0.000 0.000 0.318 745 F C -2.015 173.868 175.800 0.139 0.000 1.356 745 F CA -2.332 55.725 58.000 0.095 0.000 1.135 745 F CB 0.324 39.365 39.000 0.068 0.000 1.315 745 F HN 0.224 nan 8.300 nan 0.000 0.549 746 P HA 0.184 nan 4.420 nan 0.000 0.272 746 P C 0.525 178.086 177.300 0.435 0.000 1.223 746 P CA -0.125 63.138 63.100 0.272 0.000 0.784 746 P CB 1.169 32.974 31.700 0.175 0.000 0.923 747 E N -0.290 120.115 120.200 0.343 0.000 2.276 747 E HA 0.053 4.403 4.350 -0.000 0.000 0.193 747 E C -0.113 176.733 176.600 0.409 0.000 0.983 747 E CA 0.453 57.057 56.400 0.340 0.000 0.861 747 E CB 0.216 30.036 29.700 0.200 0.000 0.817 747 E HN 0.501 nan 8.360 nan 0.000 0.485 748 S N 0.527 116.447 115.700 0.368 0.000 2.689 748 S HA 0.412 4.882 4.470 -0.000 0.000 0.274 748 S C -0.847 173.945 174.600 0.319 0.000 1.176 748 S CA -1.160 57.222 58.200 0.303 0.000 1.014 748 S CB 0.690 63.988 63.200 0.163 0.000 1.071 748 S HN 0.342 nan 8.310 nan 0.000 0.478 749 W N 2.035 123.366 121.300 0.051 0.000 3.505 749 W HA 0.755 5.415 4.660 -0.000 0.000 0.338 749 W C -0.223 176.328 176.519 0.053 0.000 1.159 749 W CA -1.474 55.877 57.345 0.010 0.000 0.981 749 W CB -0.491 28.899 29.460 -0.116 0.000 1.575 749 W HN 1.042 nan 8.180 nan 0.000 0.608 750 L N 1.552 122.876 121.223 0.168 0.000 3.634 750 L HA -0.233 4.107 4.340 -0.000 0.000 0.423 750 L C 0.006 176.883 176.870 0.012 0.000 1.253 750 L CA 0.076 54.871 54.840 -0.075 0.000 0.885 750 L CB -1.507 40.147 42.059 -0.676 0.000 1.789 750 L HN 0.644 nan 8.230 nan 0.000 0.904 751 W N 2.529 123.806 121.300 -0.039 0.000 1.395 751 W HA 0.245 4.905 4.660 -0.000 0.000 0.451 751 W C 0.379 176.885 176.519 -0.021 0.000 0.619 751 W CA -0.292 57.034 57.345 -0.032 0.000 2.212 751 W CB -0.348 29.111 29.460 -0.000 0.000 1.537 751 W HN 0.514 nan 8.180 nan 0.000 0.275 752 N N 0.180 118.793 118.700 -0.145 0.000 2.518 752 N HA 0.521 5.261 4.740 -0.000 0.000 0.284 752 N C -1.364 174.009 175.510 -0.229 0.000 1.230 752 N CA -0.918 52.052 53.050 -0.132 0.000 0.941 752 N CB 2.127 40.581 38.487 -0.056 0.000 1.219 752 N HN -0.261 nan 8.380 nan 0.000 0.560 753 V N 1.179 121.003 119.914 -0.150 0.000 2.569 753 V HA 0.337 4.457 4.120 -0.000 0.000 0.301 753 V C -0.973 175.065 176.094 -0.094 0.000 1.044 753 V CA -0.628 61.584 62.300 -0.147 0.000 0.874 753 V CB 1.571 33.313 31.823 -0.135 0.000 1.002 753 V HN 0.589 nan 8.190 nan 0.000 0.424 754 E N 2.415 122.561 120.200 -0.091 0.000 2.248 754 E HA 0.544 4.894 4.350 -0.000 0.000 0.267 754 E C -1.599 174.965 176.600 -0.060 0.000 0.877 754 E CA -0.770 55.592 56.400 -0.065 0.000 0.759 754 E CB 2.834 32.499 29.700 -0.059 0.000 1.182 754 E HN 0.597 nan 8.360 nan 0.000 0.418 755 D N 1.533 121.905 120.400 -0.046 0.000 2.163 755 D HA 0.332 4.972 4.640 -0.000 0.000 0.248 755 D C -0.126 176.152 176.300 -0.036 0.000 1.035 755 D CA -0.439 53.536 54.000 -0.041 0.000 0.872 755 D CB 1.360 42.139 40.800 -0.034 0.000 1.183 755 D HN 0.178 nan 8.370 nan 0.000 0.445 756 L N 2.879 124.081 121.223 -0.036 0.000 2.397 756 L HA 0.236 4.576 4.340 -0.000 0.000 0.263 756 L C 1.207 178.061 176.870 -0.026 0.000 1.136 756 L CA -0.115 54.706 54.840 -0.032 0.000 1.019 756 L CB 0.206 42.244 42.059 -0.035 0.000 1.352 756 L HN 0.120 nan 8.230 nan 0.000 0.420 757 K N 0.796 121.182 120.400 -0.023 0.000 2.373 757 K HA 0.172 4.491 4.320 -0.000 0.000 0.202 757 K C 0.078 176.668 176.600 -0.017 0.000 1.025 757 K CA -0.131 56.144 56.287 -0.019 0.000 1.115 757 K CB 0.613 33.103 32.500 -0.018 0.000 0.858 757 K HN 0.439 nan 8.250 nan 0.000 0.525 758 E N 1.552 121.741 120.200 -0.019 0.000 2.408 758 E HA 0.066 4.415 4.350 -0.000 0.000 0.259 758 E C -2.499 174.091 176.600 -0.016 0.000 1.110 758 E CA -1.860 54.530 56.400 -0.017 0.000 0.929 758 E CB -0.224 29.465 29.700 -0.018 0.000 0.971 758 E HN -0.132 nan 8.360 nan 0.000 0.438 759 P HA 0.018 nan 4.420 nan 0.000 0.255 759 P C -2.394 174.898 177.300 -0.014 0.000 1.173 759 P CA -0.542 62.550 63.100 -0.013 0.000 0.780 759 P CB -0.261 31.432 31.700 -0.011 0.000 0.758 760 P HA 0.240 nan 4.420 nan 0.000 0.275 760 P C -0.579 176.713 177.300 -0.014 0.000 1.227 760 P CA -0.041 63.050 63.100 -0.015 0.000 0.781 760 P CB 0.855 32.546 31.700 -0.015 0.000 0.906 761 K N 2.523 122.914 120.400 -0.015 0.000 2.613 761 K HA 0.277 4.597 4.320 -0.000 0.000 0.248 761 K C -0.445 176.147 176.600 -0.014 0.000 0.959 761 K CA -0.613 55.666 56.287 -0.013 0.000 0.855 761 K CB 1.016 33.508 32.500 -0.013 0.000 1.143 761 K HN 0.457 nan 8.250 nan 0.000 0.437 762 N N 1.468 120.160 118.700 -0.012 0.000 2.776 762 N HA -0.223 4.516 4.740 -0.000 0.000 0.249 762 N C 0.447 175.950 175.510 -0.013 0.000 1.111 762 N CA 0.296 53.339 53.050 -0.012 0.000 0.711 762 N CB -0.676 37.804 38.487 -0.012 0.000 1.065 762 N HN 1.089 nan 8.380 nan 0.000 0.556 763 G N -0.458 108.333 108.800 -0.014 0.000 2.153 763 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.252 763 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.252 763 G C -0.104 174.785 174.900 -0.018 0.000 0.994 763 G CA 0.542 45.633 45.100 -0.015 0.000 0.698 763 G HN 0.437 nan 8.290 nan 0.000 0.521 764 I N 1.642 122.200 120.570 -0.019 0.000 2.466 764 I HA 0.356 4.526 4.170 -0.000 0.000 0.279 764 I C 0.610 176.713 176.117 -0.024 0.000 1.033 764 I CA -0.819 60.468 61.300 -0.023 0.000 1.123 764 I CB 0.861 38.847 38.000 -0.023 0.000 1.237 764 I HN 0.026 nan 8.210 nan 0.000 0.460 765 S N 4.155 119.839 115.700 -0.026 0.000 2.614 765 S HA 0.579 5.049 4.470 -0.000 0.000 0.265 765 S C 0.336 174.917 174.600 -0.031 0.000 1.303 765 S CA -0.172 58.013 58.200 -0.026 0.000 1.000 765 S CB 0.996 64.180 63.200 -0.026 0.000 0.935 765 S HN 0.615 nan 8.310 nan 0.000 0.551 766 T N 1.982 116.518 114.554 -0.030 0.000 3.170 766 T HA 0.325 4.674 4.350 -0.000 0.000 0.315 766 T C -0.815 173.865 174.700 -0.033 0.000 0.967 766 T CA -0.691 61.388 62.100 -0.035 0.000 1.024 766 T CB 0.956 69.804 68.868 -0.033 0.000 1.018 766 T HN 0.516 nan 8.240 nan 0.000 0.449 767 K N 4.188 124.566 120.400 -0.037 0.000 2.206 767 K HA 0.610 4.930 4.320 -0.000 0.000 0.264 767 K C -0.995 175.585 176.600 -0.033 0.000 0.967 767 K CA -0.834 55.434 56.287 -0.032 0.000 0.844 767 K CB 0.822 33.302 32.500 -0.034 0.000 1.099 767 K HN 0.498 nan 8.250 nan 0.000 0.441 768 L N 6.055 127.265 121.223 -0.022 0.000 2.264 768 L HA 0.391 4.730 4.340 -0.000 0.000 0.287 768 L C -0.184 176.684 176.870 -0.003 0.000 1.039 768 L CA -0.542 54.287 54.840 -0.017 0.000 0.829 768 L CB 1.145 43.196 42.059 -0.013 0.000 1.211 768 L HN 0.614 nan 8.230 nan 0.000 0.427 769 M N 3.054 122.655 119.600 0.000 0.000 2.318 769 M HA 0.238 4.717 4.480 -0.000 0.000 0.347 769 M C 0.014 176.344 176.300 0.050 0.000 1.175 769 M CA -0.016 55.299 55.300 0.024 0.000 1.075 769 M CB 1.462 34.072 32.600 0.017 0.000 1.614 769 M HN 0.474 nan 8.290 nan 0.000 0.456 770 N N 4.407 123.159 118.700 0.086 0.000 2.817 770 N HA 0.362 5.102 4.740 -0.000 0.000 0.234 770 N C -0.883 174.759 175.510 0.221 0.000 1.066 770 N CA -0.387 52.728 53.050 0.110 0.000 0.926 770 N CB 0.594 39.145 38.487 0.107 0.000 1.176 770 N HN 0.594 nan 8.380 nan 0.000 0.506 771 I N -0.712 119.977 120.570 0.198 0.000 2.764 771 I HA 0.385 4.555 4.170 -0.000 0.000 0.294 771 I C -0.832 175.487 176.117 0.337 0.000 1.045 771 I CA -0.516 60.986 61.300 0.336 0.000 1.340 771 I CB 0.741 38.923 38.000 0.303 0.000 1.436 771 I HN 0.200 nan 8.210 nan 0.000 0.567 772 F N 4.452 124.439 119.950 0.062 0.000 2.307 772 F HA 0.452 4.978 4.527 -0.000 0.000 0.369 772 F C 0.066 175.701 175.800 -0.275 0.000 1.076 772 F CA -0.827 57.128 58.000 -0.074 0.000 1.149 772 F CB 1.081 40.021 39.000 -0.100 0.000 1.410 772 F HN 0.303 nan 8.300 nan 0.000 0.481 773 L N 4.438 125.595 121.223 -0.110 0.000 2.514 773 L HA 0.007 4.347 4.340 -0.000 0.000 0.280 773 L C 0.770 177.397 176.870 -0.405 0.000 1.223 773 L CA -0.073 54.603 54.840 -0.274 0.000 0.864 773 L CB 0.156 42.203 42.059 -0.019 0.000 1.118 773 L HN 0.460 nan 8.230 nan 0.000 0.494 774 K N 1.819 121.827 120.400 -0.654 0.000 2.386 774 K HA 0.092 4.412 4.320 -0.000 0.000 0.249 774 K C 0.506 177.019 176.600 -0.144 0.000 1.055 774 K CA -0.407 55.600 56.287 -0.467 0.000 0.930 774 K CB 0.317 32.447 32.500 -0.617 0.000 1.230 774 K HN 0.431 nan 8.250 nan 0.000 0.507 775 D N 0.037 120.323 120.400 -0.191 0.000 2.333 775 D HA -0.013 4.627 4.640 -0.000 0.000 0.208 775 D C -0.145 176.198 176.300 0.071 0.000 0.984 775 D CA 0.508 54.402 54.000 -0.177 0.000 0.873 775 D CB -0.001 40.494 40.800 -0.507 0.000 0.935 775 D HN 0.192 nan 8.370 nan 0.000 0.521 776 S N 1.023 116.886 115.700 0.271 0.000 2.555 776 S HA 0.055 4.525 4.470 -0.000 0.000 0.293 776 S C 0.797 175.478 174.600 0.134 0.000 1.248 776 S CA -0.064 58.397 58.200 0.435 0.000 1.096 776 S CB 0.162 63.620 63.200 0.430 0.000 0.881 776 S HN 0.145 nan 8.310 nan 0.000 0.498 777 I N 4.268 124.827 120.570 -0.019 0.000 2.260 777 I HA 0.205 4.375 4.170 -0.000 0.000 0.297 777 I C 0.800 176.710 176.117 -0.345 0.000 1.143 777 I CA 0.051 61.200 61.300 -0.252 0.000 1.271 777 I CB -0.258 37.415 38.000 -0.545 0.000 1.461 777 I HN 0.556 nan 8.210 nan 0.000 0.530 778 T N 2.755 117.088 114.554 -0.368 0.000 2.649 778 T HA 0.311 4.661 4.350 -0.000 0.000 0.305 778 T C -0.850 173.567 174.700 -0.472 0.000 1.409 778 T CA -0.329 61.508 62.100 -0.438 0.000 1.021 778 T CB 1.821 70.380 68.868 -0.516 0.000 1.726 778 T HN 0.264 nan 8.240 nan 0.000 0.475 779 T N 2.151 116.443 114.554 -0.435 0.000 2.756 779 T HA 0.523 4.873 4.350 -0.000 0.000 0.290 779 T C -0.916 173.598 174.700 -0.310 0.000 0.985 779 T CA -0.241 61.675 62.100 -0.306 0.000 0.955 779 T CB 0.072 68.828 68.868 -0.187 0.000 0.930 779 T HN 0.408 nan 8.240 nan 0.000 0.451 780 W N 1.791 123.093 121.300 0.003 0.000 2.303 780 W HA 0.453 5.113 4.660 -0.000 0.000 0.334 780 W C 0.829 177.315 176.519 -0.054 0.000 1.197 780 W CA -0.748 56.613 57.345 0.026 0.000 1.262 780 W CB 0.623 30.152 29.460 0.115 0.000 1.153 780 W HN 0.508 nan 8.180 nan 0.000 0.596 781 E N 2.815 123.139 120.200 0.208 0.000 2.186 781 E HA 0.320 4.670 4.350 -0.000 0.000 0.255 781 E C -1.095 175.546 176.600 0.068 0.000 0.881 781 E CA -0.459 55.991 56.400 0.083 0.000 0.752 781 E CB 0.598 30.329 29.700 0.052 0.000 1.176 781 E HN 0.380 nan 8.360 nan 0.000 0.421 782 I N 5.074 125.681 120.570 0.062 0.000 2.325 782 I HA 0.181 4.351 4.170 -0.000 0.000 0.291 782 I C -0.366 175.777 176.117 0.044 0.000 1.019 782 I CA -0.682 60.633 61.300 0.026 0.000 1.302 782 I CB 0.781 38.820 38.000 0.064 0.000 1.401 782 I HN 0.381 nan 8.210 nan 0.000 0.485 783 L N 7.411 128.635 121.223 0.002 0.000 2.313 783 L HA 0.767 5.106 4.340 -0.000 0.000 0.283 783 L C -0.271 176.577 176.870 -0.037 0.000 1.013 783 L CA -0.135 54.706 54.840 0.002 0.000 0.816 783 L CB 1.328 43.395 42.059 0.013 0.000 1.236 783 L HN 0.674 nan 8.230 nan 0.000 0.419 784 A N 4.710 127.510 122.820 -0.033 0.000 2.350 784 A HA 0.854 5.174 4.320 -0.000 0.000 0.324 784 A C -1.428 176.122 177.584 -0.058 0.000 1.118 784 A CA -0.544 51.455 52.037 -0.062 0.000 0.783 784 A CB 1.646 20.611 19.000 -0.059 0.000 1.236 784 A HN 0.512 nan 8.150 nan 0.000 0.457 785 V N 2.363 122.230 119.914 -0.079 0.000 2.524 785 V HA 0.482 4.602 4.120 -0.000 0.000 0.297 785 V C 0.031 176.082 176.094 -0.071 0.000 1.035 785 V CA -0.422 61.839 62.300 -0.066 0.000 0.867 785 V CB 1.780 33.562 31.823 -0.068 0.000 1.004 785 V HN 1.085 nan 8.190 nan 0.000 0.426 786 S N 4.658 120.326 115.700 -0.054 0.000 2.508 786 S HA 0.803 5.273 4.470 -0.000 0.000 0.284 786 S C -0.532 174.042 174.600 -0.043 0.000 1.192 786 S CA -0.660 57.509 58.200 -0.052 0.000 1.070 786 S CB 1.657 64.830 63.200 -0.045 0.000 1.004 786 S HN 0.672 nan 8.310 nan 0.000 0.493 787 M N 3.780 123.354 119.600 -0.044 0.000 2.065 787 M HA 0.433 4.913 4.480 -0.000 0.000 0.308 787 M C -0.428 175.854 176.300 -0.031 0.000 0.939 787 M CA -0.173 55.106 55.300 -0.035 0.000 0.890 787 M CB 0.837 33.415 32.600 -0.037 0.000 1.383 787 M HN 0.763 nan 8.290 nan 0.000 0.381 788 S N 1.216 116.900 115.700 -0.026 0.000 2.541 788 S HA 0.404 4.874 4.470 -0.000 0.000 0.283 788 S C 0.558 175.146 174.600 -0.019 0.000 1.196 788 S CA -0.578 57.608 58.200 -0.023 0.000 1.062 788 S CB 0.716 63.903 63.200 -0.023 0.000 1.009 788 S HN 0.737 nan 8.310 nan 0.000 0.502 789 D N 3.121 123.510 120.400 -0.017 0.000 2.336 789 D HA 0.094 4.734 4.640 -0.000 0.000 0.229 789 D C 0.845 177.138 176.300 -0.013 0.000 1.061 789 D CA 0.541 54.532 54.000 -0.014 0.000 0.875 789 D CB 0.115 40.907 40.800 -0.014 0.000 0.904 789 D HN 0.517 nan 8.370 nan 0.000 0.525 790 K N -0.451 119.940 120.400 -0.014 0.000 2.380 790 K HA 0.172 4.491 4.320 -0.000 0.000 0.200 790 K C 1.102 177.694 176.600 -0.013 0.000 1.201 790 K CA -0.044 56.236 56.287 -0.013 0.000 0.916 790 K CB 0.702 33.194 32.500 -0.013 0.000 1.187 790 K HN -0.145 nan 8.250 nan 0.000 0.498 791 K N 1.065 121.456 120.400 -0.014 0.000 2.399 791 K HA 0.216 4.536 4.320 -0.000 0.000 0.204 791 K C 0.591 177.182 176.600 -0.014 0.000 1.023 791 K CA 0.373 56.651 56.287 -0.014 0.000 1.127 791 K CB 0.941 33.432 32.500 -0.016 0.000 0.856 791 K HN 0.360 nan 8.250 nan 0.000 0.514 792 G N 2.219 111.010 108.800 -0.014 0.000 2.601 792 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.261 792 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.261 792 G C -0.034 174.855 174.900 -0.017 0.000 1.289 792 G CA -0.140 44.951 45.100 -0.014 0.000 0.920 792 G HN 0.321 nan 8.290 nan 0.000 0.571 793 I N -0.491 120.069 120.570 -0.016 0.000 2.662 793 I HA 0.535 4.705 4.170 -0.000 0.000 0.291 793 I C 0.316 176.423 176.117 -0.017 0.000 1.046 793 I CA -0.150 61.139 61.300 -0.018 0.000 1.361 793 I CB 0.938 38.929 38.000 -0.015 0.000 1.429 793 I HN 0.953 nan 8.210 nan 0.000 0.558 794 C N 6.942 126.230 119.300 -0.021 0.000 2.832 794 C HA 0.430 4.890 4.460 -0.000 0.000 0.383 794 C C -0.943 174.034 174.990 -0.021 0.000 1.046 794 C CA -0.517 58.490 59.018 -0.019 0.000 1.242 794 C CB 0.455 28.183 27.740 -0.020 0.000 1.693 794 C HN 0.527 nan 8.230 nan 0.000 0.497 795 V N 6.474 126.380 119.914 -0.014 0.000 2.348 795 V HA 0.595 4.715 4.120 -0.000 0.000 0.270 795 V C 1.097 177.186 176.094 -0.009 0.000 1.037 795 V CA 0.257 62.549 62.300 -0.013 0.000 0.872 795 V CB 0.920 32.740 31.823 -0.005 0.000 1.002 795 V HN 1.123 nan 8.190 nan 0.000 0.464 796 A N 4.289 127.101 122.820 -0.013 0.000 2.366 796 A HA 0.369 4.689 4.320 -0.000 0.000 0.249 796 A C 0.086 177.676 177.584 0.010 0.000 1.084 796 A CA -0.494 51.539 52.037 -0.007 0.000 0.794 796 A CB 0.109 19.099 19.000 -0.018 0.000 1.034 796 A HN 0.777 nan 8.150 nan 0.000 0.491 797 D N 1.735 122.147 120.400 0.020 0.000 2.390 797 D HA 0.376 5.016 4.640 -0.000 0.000 0.249 797 D C -2.189 174.152 176.300 0.069 0.000 1.144 797 D CA -0.593 53.431 54.000 0.039 0.000 0.880 797 D CB 0.098 40.922 40.800 0.041 0.000 1.182 797 D HN 0.204 nan 8.370 nan 0.000 0.451 798 P HA -0.000 nan 4.420 nan 0.000 0.262 798 P C -0.652 176.738 177.300 0.150 0.000 1.182 798 P CA -0.005 63.147 63.100 0.086 0.000 0.761 798 P CB 0.134 31.865 31.700 0.051 0.000 0.795 799 F N 3.195 123.146 119.950 0.003 0.000 2.402 799 F HA 0.298 4.824 4.527 -0.000 0.000 0.355 799 F C 0.150 175.969 175.800 0.031 0.000 1.123 799 F CA -0.810 57.197 58.000 0.010 0.000 1.021 799 F CB 1.083 40.083 39.000 0.001 0.000 1.160 799 F HN 0.249 nan 8.300 nan 0.000 0.451 800 E N 4.750 124.610 120.200 -0.567 0.000 2.216 800 E HA 0.500 4.849 4.350 -0.000 0.000 0.279 800 E C -1.216 174.992 176.600 -0.653 0.000 0.997 800 E CA -0.866 55.272 56.400 -0.436 0.000 0.817 800 E CB 2.325 31.887 29.700 -0.229 0.000 1.096 800 E HN 0.379 nan 8.360 nan 0.000 0.393 801 V N 3.133 122.874 119.914 -0.289 0.000 2.407 801 V HA 0.178 4.298 4.120 -0.000 0.000 0.291 801 V C -0.222 175.874 176.094 0.003 0.000 1.018 801 V CA -0.735 61.483 62.300 -0.136 0.000 0.842 801 V CB 1.785 33.651 31.823 0.072 0.000 0.996 801 V HN 0.689 nan 8.190 nan 0.000 0.426 802 T N 4.875 119.401 114.554 -0.048 0.000 2.729 802 T HA 0.417 4.767 4.350 -0.000 0.000 0.296 802 T C -0.082 174.608 174.700 -0.015 0.000 0.928 802 T CA -0.160 61.904 62.100 -0.060 0.000 1.045 802 T CB 1.038 69.853 68.868 -0.089 0.000 0.902 802 T HN 0.351 nan 8.240 nan 0.000 0.500 803 V N 5.892 125.791 119.914 -0.026 0.000 2.313 803 V HA 0.504 4.624 4.120 -0.000 0.000 0.278 803 V C -0.071 175.953 176.094 -0.116 0.000 1.017 803 V CA -0.590 61.710 62.300 -0.000 0.000 0.823 803 V CB 0.980 32.885 31.823 0.136 0.000 1.010 803 V HN 0.846 nan 8.190 nan 0.000 0.443 804 M N 3.619 123.150 119.600 -0.114 0.000 2.691 804 M HA 0.629 5.109 4.480 -0.000 0.000 0.293 804 M C -1.417 174.830 176.300 -0.090 0.000 1.259 804 M CA -0.592 54.595 55.300 -0.187 0.000 0.827 804 M CB 2.974 35.468 32.600 -0.175 0.000 1.753 804 M HN 0.670 nan 8.290 nan 0.000 0.465 805 Q N 0.476 120.252 119.800 -0.041 0.000 2.345 805 Q HA 0.228 4.568 4.340 -0.000 0.000 0.275 805 Q C -0.732 175.482 176.000 0.358 0.000 1.063 805 Q CA -0.636 55.255 55.803 0.145 0.000 0.819 805 Q CB 2.007 30.834 28.738 0.148 0.000 1.356 805 Q HN 0.754 nan 8.270 nan 0.000 0.418 806 D N 1.387 121.964 120.400 0.295 0.000 2.190 806 D HA -0.076 4.563 4.640 -0.000 0.000 0.200 806 D C -0.226 176.355 176.300 0.468 0.000 0.992 806 D CA 1.526 55.727 54.000 0.334 0.000 0.854 806 D CB 0.100 41.028 40.800 0.212 0.000 0.936 806 D HN 0.308 nan 8.370 nan 0.000 0.462 807 F N -0.004 120.126 119.950 0.301 0.000 2.596 807 F HA 0.454 4.980 4.527 -0.000 0.000 0.311 807 F C -1.592 174.417 175.800 0.348 0.000 1.116 807 F CA -1.184 56.944 58.000 0.214 0.000 0.957 807 F CB 1.003 40.066 39.000 0.104 0.000 1.250 807 F HN -0.151 nan 8.300 nan 0.000 0.444 808 F N 3.924 123.436 119.950 -0.731 0.000 2.877 808 F HA 0.762 5.289 4.527 -0.000 0.000 0.319 808 F C -2.198 173.336 175.800 -0.443 0.000 1.174 808 F CA -1.593 56.095 58.000 -0.520 0.000 0.903 808 F CB 1.094 40.021 39.000 -0.122 0.000 1.357 808 F HN 0.314 nan 8.300 nan 0.000 0.472 809 I N 1.122 121.728 120.570 0.059 0.000 2.509 809 I HA 0.317 4.487 4.170 -0.000 0.000 0.293 809 I C -1.374 174.898 176.117 0.258 0.000 1.020 809 I CA -0.507 60.827 61.300 0.056 0.000 1.088 809 I CB 1.884 39.895 38.000 0.018 0.000 1.267 809 I HN 0.590 nan 8.210 nan 0.000 0.430 810 D N 6.379 126.927 120.400 0.247 0.000 2.514 810 D HA 0.198 4.838 4.640 -0.000 0.000 0.267 810 D C -0.749 175.605 176.300 0.091 0.000 1.165 810 D CA -0.574 53.567 54.000 0.234 0.000 0.958 810 D CB 0.526 41.597 40.800 0.452 0.000 0.992 810 D HN 0.193 nan 8.370 nan 0.000 0.506 811 L N 3.290 124.523 121.223 0.017 0.000 2.530 811 L HA 0.213 4.553 4.340 -0.000 0.000 0.273 811 L C -0.042 176.801 176.870 -0.044 0.000 1.141 811 L CA 0.481 55.312 54.840 -0.015 0.000 0.905 811 L CB -0.044 41.989 42.059 -0.044 0.000 1.202 811 L HN 0.160 nan 8.230 nan 0.000 0.473 812 R N 5.821 126.315 120.500 -0.010 0.000 2.246 812 R HA 0.496 4.836 4.340 -0.000 0.000 0.332 812 R C -1.244 175.048 176.300 -0.014 0.000 0.974 812 R CA -0.953 55.139 56.100 -0.014 0.000 0.837 812 R CB 0.964 31.272 30.300 0.013 0.000 1.145 812 R HN 0.388 nan 8.270 nan 0.000 0.467 813 L N 4.198 125.406 121.223 -0.025 0.000 2.334 813 L HA 0.489 4.829 4.340 -0.000 0.000 0.276 813 L C -1.891 174.984 176.870 0.009 0.000 1.014 813 L CA -2.131 52.699 54.840 -0.016 0.000 0.815 813 L CB 0.942 42.980 42.059 -0.034 0.000 1.268 813 L HN 0.403 nan 8.230 nan 0.000 0.428 814 P HA 0.021 nan 4.420 nan 0.000 0.270 814 P C 0.324 177.672 177.300 0.080 0.000 1.223 814 P CA -0.177 62.956 63.100 0.054 0.000 0.785 814 P CB 0.379 32.108 31.700 0.048 0.000 0.923 815 Y N 1.241 121.544 120.300 0.005 0.000 2.128 815 Y HA -0.159 4.390 4.550 -0.000 0.000 0.284 815 Y C 0.646 176.559 175.900 0.022 0.000 1.154 815 Y CA 1.959 60.066 58.100 0.013 0.000 1.149 815 Y CB 0.016 38.482 38.460 0.011 0.000 0.976 815 Y HN 0.397 nan 8.280 nan 0.000 0.505 816 S N 0.003 115.710 115.700 0.013 0.000 2.536 816 S HA 0.622 5.092 4.470 -0.000 0.000 0.271 816 S C -1.185 173.430 174.600 0.025 0.000 1.134 816 S CA -0.379 57.779 58.200 -0.071 0.000 0.897 816 S CB 1.669 64.854 63.200 -0.026 0.000 1.094 816 S HN 0.612 nan 8.310 nan 0.000 0.473 817 V N -0.033 119.888 119.914 0.011 0.000 2.540 817 V HA 0.798 4.918 4.120 -0.000 0.000 0.302 817 V C -0.157 175.953 176.094 0.027 0.000 1.035 817 V CA -0.959 61.366 62.300 0.040 0.000 0.873 817 V CB 1.157 33.023 31.823 0.071 0.000 0.992 817 V HN 0.813 nan 8.190 nan 0.000 0.428 818 V N 4.253 124.186 119.914 0.031 0.000 2.637 818 V HA 0.264 4.384 4.120 -0.000 0.000 0.296 818 V C 0.975 177.075 176.094 0.009 0.000 1.046 818 V CA -0.164 62.145 62.300 0.015 0.000 1.066 818 V CB 0.740 32.577 31.823 0.022 0.000 0.968 818 V HN 1.077 nan 8.190 nan 0.000 0.483 819 R N 4.169 124.661 120.500 -0.013 0.000 2.623 819 R HA 0.061 4.400 4.340 -0.000 0.000 0.271 819 R C 1.014 177.304 176.300 -0.016 0.000 1.043 819 R CA 1.143 57.227 56.100 -0.026 0.000 1.083 819 R CB -0.307 29.967 30.300 -0.044 0.000 0.974 819 R HN 0.943 nan 8.270 nan 0.000 0.436 820 N N 0.317 119.004 118.700 -0.021 0.000 2.951 820 N HA -0.230 4.510 4.740 -0.000 0.000 0.213 820 N C -1.060 174.445 175.510 -0.007 0.000 0.877 820 N CA 1.367 54.405 53.050 -0.020 0.000 1.042 820 N CB -0.586 37.888 38.487 -0.022 0.000 1.005 820 N HN 0.687 nan 8.380 nan 0.000 0.604 821 E N 1.853 122.060 120.200 0.011 0.000 2.290 821 E HA 0.075 4.424 4.350 -0.000 0.000 0.277 821 E C -0.010 176.610 176.600 0.034 0.000 1.035 821 E CA -0.016 56.402 56.400 0.030 0.000 0.873 821 E CB 0.930 30.659 29.700 0.047 0.000 1.029 821 E HN 0.159 nan 8.360 nan 0.000 0.419 822 Q N 3.385 123.193 119.800 0.012 0.000 2.295 822 Q HA 0.253 4.593 4.340 -0.000 0.000 0.259 822 Q C -0.754 175.304 176.000 0.097 0.000 0.976 822 Q CA -0.476 55.299 55.803 -0.046 0.000 0.923 822 Q CB 0.656 29.235 28.738 -0.266 0.000 1.185 822 Q HN 0.401 nan 8.270 nan 0.000 0.410 823 V N 0.620 120.603 119.914 0.116 0.000 3.102 823 V HA 0.609 4.729 4.120 -0.000 0.000 0.312 823 V C -0.955 175.256 176.094 0.195 0.000 1.135 823 V CA -1.106 61.325 62.300 0.218 0.000 1.022 823 V CB 1.891 33.793 31.823 0.132 0.000 1.056 823 V HN 0.870 nan 8.190 nan 0.000 0.436 824 E N 2.146 122.476 120.200 0.217 0.000 2.151 824 E HA 0.612 4.961 4.350 -0.000 0.000 0.275 824 E C -0.904 175.752 176.600 0.094 0.000 0.936 824 E CA -0.853 55.647 56.400 0.166 0.000 0.777 824 E CB 1.704 31.516 29.700 0.187 0.000 1.108 824 E HN 0.860 nan 8.360 nan 0.000 0.401 825 I N 1.313 121.935 120.570 0.087 0.000 2.460 825 I HA 0.583 4.752 4.170 -0.000 0.000 0.298 825 I C -0.310 175.865 176.117 0.096 0.000 0.989 825 I CA -1.133 60.205 61.300 0.064 0.000 1.173 825 I CB 1.464 39.475 38.000 0.019 0.000 1.338 825 I HN 0.226 nan 8.210 nan 0.000 0.456 826 R N 4.298 124.837 120.500 0.065 0.000 2.457 826 R HA 0.722 5.061 4.340 -0.000 0.000 0.284 826 R C -0.644 175.707 176.300 0.086 0.000 1.024 826 R CA -0.800 55.339 56.100 0.064 0.000 1.025 826 R CB 1.655 31.974 30.300 0.032 0.000 1.063 826 R HN 0.896 nan 8.270 nan 0.000 0.493 827 A N 2.653 125.533 122.820 0.100 0.000 2.815 827 A HA 0.342 4.662 4.320 -0.000 0.000 0.318 827 A C -0.648 176.952 177.584 0.026 0.000 1.186 827 A CA -0.659 51.441 52.037 0.105 0.000 0.754 827 A CB 0.671 19.816 19.000 0.241 0.000 1.151 827 A HN 0.347 nan 8.150 nan 0.000 0.452 828 V N 2.773 122.669 119.914 -0.029 0.000 2.455 828 V HA 0.222 4.341 4.120 -0.000 0.000 0.273 828 V C -0.277 175.652 176.094 -0.274 0.000 1.045 828 V CA -0.081 62.099 62.300 -0.199 0.000 0.976 828 V CB 0.772 32.415 31.823 -0.299 0.000 0.993 828 V HN 0.632 nan 8.190 nan 0.000 0.475 829 L N 6.711 127.746 121.223 -0.313 0.000 2.262 829 L HA 0.458 4.798 4.340 -0.000 0.000 0.288 829 L C -0.397 176.219 176.870 -0.424 0.000 1.035 829 L CA -0.060 54.611 54.840 -0.281 0.000 0.820 829 L CB 0.481 42.520 42.059 -0.034 0.000 1.204 829 L HN 0.469 nan 8.230 nan 0.000 0.424 830 Y N 2.135 122.120 120.300 -0.524 0.000 2.310 830 Y HA 0.422 4.971 4.550 -0.000 0.000 0.326 830 Y C 0.693 176.369 175.900 -0.374 0.000 1.151 830 Y CA -0.251 57.508 58.100 -0.569 0.000 1.195 830 Y CB 1.100 39.068 38.460 -0.820 0.000 1.210 830 Y HN 0.526 nan 8.280 nan 0.000 0.483 831 N N 2.239 120.815 118.700 -0.207 0.000 2.576 831 N HA 0.186 4.926 4.740 -0.000 0.000 0.269 831 N C -1.601 173.806 175.510 -0.170 0.000 1.058 831 N CA -0.653 52.382 53.050 -0.025 0.000 0.860 831 N CB 0.201 38.712 38.487 0.040 0.000 1.249 831 N HN 0.538 nan 8.380 nan 0.000 0.525 832 Y N 1.455 121.848 120.300 0.155 0.000 2.708 832 Y HA 0.377 4.927 4.550 -0.000 0.000 0.287 832 Y C 0.781 176.747 175.900 0.111 0.000 1.145 832 Y CA -0.647 57.535 58.100 0.135 0.000 1.249 832 Y CB 0.300 38.851 38.460 0.151 0.000 1.152 832 Y HN 0.178 nan 8.280 nan 0.000 0.532 833 R N 1.308 121.918 120.500 0.183 0.000 2.594 833 R HA 0.030 4.370 4.340 -0.000 0.000 0.272 833 R C 0.971 177.340 176.300 0.116 0.000 1.074 833 R CA 0.058 56.238 56.100 0.133 0.000 1.105 833 R CB 0.994 31.350 30.300 0.093 0.000 1.008 833 R HN 0.487 nan 8.270 nan 0.000 0.472 834 Q N 2.100 121.961 119.800 0.102 0.000 1.927 834 Q HA -0.218 4.122 4.340 -0.000 0.000 0.210 834 Q C 0.425 176.468 176.000 0.071 0.000 1.001 834 Q CA 2.013 57.868 55.803 0.086 0.000 0.862 834 Q CB -0.251 28.531 28.738 0.074 0.000 0.934 834 Q HN 0.671 nan 8.270 nan 0.000 0.420 835 N N -0.903 117.836 118.700 0.064 0.000 2.672 835 N HA 0.223 4.962 4.740 -0.000 0.000 0.295 835 N C -1.446 174.095 175.510 0.051 0.000 1.924 835 N CA -0.417 52.663 53.050 0.049 0.000 0.851 835 N CB 0.855 39.364 38.487 0.038 0.000 1.281 835 N HN 0.207 nan 8.380 nan 0.000 0.494 836 Q N 1.074 120.913 119.800 0.064 0.000 2.533 836 Q HA 0.171 4.511 4.340 -0.000 0.000 0.251 836 Q C -1.147 174.893 176.000 0.066 0.000 0.966 836 Q CA -0.442 55.408 55.803 0.078 0.000 0.714 836 Q CB 0.903 29.732 28.738 0.152 0.000 1.284 836 Q HN 0.446 nan 8.270 nan 0.000 0.478 837 E N 3.820 124.041 120.200 0.035 0.000 2.376 837 E HA 0.172 4.522 4.350 -0.000 0.000 0.266 837 E C -0.819 175.800 176.600 0.032 0.000 1.009 837 E CA -0.172 56.242 56.400 0.023 0.000 0.902 837 E CB 0.806 30.509 29.700 0.005 0.000 0.972 837 E HN 0.503 nan 8.360 nan 0.000 0.439 838 L N 3.040 124.277 121.223 0.024 0.000 2.289 838 L HA 0.267 4.607 4.340 -0.000 0.000 0.285 838 L C 0.156 177.037 176.870 0.018 0.000 1.049 838 L CA -1.112 53.736 54.840 0.013 0.000 0.804 838 L CB 1.090 43.097 42.059 -0.086 0.000 1.195 838 L HN 0.572 nan 8.230 nan 0.000 0.428 839 K N 3.396 123.827 120.400 0.052 0.000 2.262 839 K HA 0.336 4.656 4.320 -0.000 0.000 0.288 839 K C -1.002 175.689 176.600 0.152 0.000 1.090 839 K CA -0.218 56.111 56.287 0.071 0.000 0.918 839 K CB 0.297 32.828 32.500 0.051 0.000 1.139 839 K HN 0.334 nan 8.250 nan 0.000 0.462 840 V N 4.740 124.724 119.914 0.116 0.000 2.612 840 V HA 0.471 4.591 4.120 -0.000 0.000 0.301 840 V C -0.017 176.206 176.094 0.216 0.000 1.046 840 V CA -0.886 61.496 62.300 0.136 0.000 0.946 840 V CB 1.477 33.375 31.823 0.124 0.000 1.003 840 V HN 0.732 nan 8.190 nan 0.000 0.459 841 R N 3.045 123.675 120.500 0.218 0.000 2.358 841 R HA 0.664 5.004 4.340 -0.000 0.000 0.309 841 R C -1.669 174.714 176.300 0.139 0.000 1.026 841 R CA -0.293 55.929 56.100 0.204 0.000 0.909 841 R CB 1.653 32.081 30.300 0.213 0.000 1.153 841 R HN 0.589 nan 8.270 nan 0.000 0.515 842 V N 3.614 123.607 119.914 0.132 0.000 2.472 842 V HA 0.465 4.584 4.120 -0.000 0.000 0.290 842 V C -0.849 175.321 176.094 0.126 0.000 1.037 842 V CA -0.320 62.066 62.300 0.145 0.000 0.908 842 V CB 1.675 33.608 31.823 0.183 0.000 0.985 842 V HN 0.929 nan 8.190 nan 0.000 0.454 843 E N 4.780 125.042 120.200 0.103 0.000 2.293 843 E HA 0.446 4.795 4.350 -0.000 0.000 0.270 843 E C -1.975 174.626 176.600 0.001 0.000 0.879 843 E CA -0.982 55.461 56.400 0.072 0.000 0.756 843 E CB 2.090 31.823 29.700 0.055 0.000 1.208 843 E HN 0.662 nan 8.360 nan 0.000 0.428 844 L N 5.517 126.725 121.223 -0.025 0.000 2.264 844 L HA 0.334 4.673 4.340 -0.000 0.000 0.287 844 L C -1.348 175.499 176.870 -0.039 0.000 1.039 844 L CA -0.477 54.252 54.840 -0.186 0.000 0.829 844 L CB 0.496 42.296 42.059 -0.433 0.000 1.211 844 L HN 0.567 nan 8.230 nan 0.000 0.427 845 L N 4.487 125.690 121.223 -0.034 0.000 2.506 845 L HA 0.095 4.435 4.340 -0.000 0.000 0.281 845 L C 0.346 177.249 176.870 0.055 0.000 1.228 845 L CA 0.531 55.390 54.840 0.032 0.000 0.850 845 L CB -0.146 41.928 42.059 0.025 0.000 1.110 845 L HN 0.666 nan 8.230 nan 0.000 0.496 846 H N 3.089 122.174 119.070 0.025 0.000 2.629 846 H HA 0.387 4.943 4.556 -0.000 0.000 0.357 846 H C -0.410 174.955 175.328 0.063 0.000 1.121 846 H CA -0.008 56.065 56.048 0.041 0.000 1.406 846 H CB 0.589 30.379 29.762 0.047 0.000 1.456 846 H HN 0.573 nan 8.280 nan 0.000 0.579 847 N N 4.733 122.984 118.700 -0.747 0.000 2.542 847 N HA 0.141 4.880 4.740 -0.000 0.000 0.288 847 N C -2.336 172.877 175.510 -0.496 0.000 1.115 847 N CA -1.942 50.842 53.050 -0.444 0.000 0.924 847 N CB 1.941 40.427 38.487 -0.001 0.000 1.526 847 N HN 0.412 nan 8.380 nan 0.000 0.515 848 P HA -0.120 nan 4.420 nan 0.000 0.220 848 P C 0.805 178.034 177.300 -0.118 0.000 1.144 848 P CA 0.900 63.934 63.100 -0.111 0.000 0.800 848 P CB 0.323 32.029 31.700 0.009 0.000 0.772 849 A N -1.699 121.012 122.820 -0.181 0.000 2.067 849 A HA 0.073 4.392 4.320 -0.000 0.000 0.217 849 A C 0.897 178.136 177.584 -0.575 0.000 1.156 849 A CA 0.680 52.495 52.037 -0.370 0.000 0.683 849 A CB -0.671 18.046 19.000 -0.471 0.000 0.808 849 A HN 0.120 nan 8.150 nan 0.000 0.455 850 F N -2.886 116.997 119.950 -0.111 0.000 2.575 850 F HA 0.520 5.047 4.527 -0.000 0.000 0.330 850 F C 0.072 175.822 175.800 -0.083 0.000 1.056 850 F CA -1.039 56.905 58.000 -0.093 0.000 0.964 850 F CB 1.589 40.531 39.000 -0.098 0.000 1.258 850 F HN -0.123 nan 8.300 nan 0.000 0.484 851 c N 2.899 121.585 118.600 0.142 0.000 2.362 851 c HA 0.754 5.324 4.570 -0.000 0.000 0.309 851 c C -0.253 173.853 174.090 0.026 0.000 1.110 851 c CA -0.289 56.076 56.329 0.061 0.000 1.485 851 c CB -1.559 40.957 42.510 0.010 0.000 1.949 851 c HN 0.831 nan 8.230 nan 0.000 0.419 852 S N 4.618 120.333 115.700 0.025 0.000 2.841 852 S HA 0.568 5.038 4.470 -0.000 0.000 0.318 852 S C 0.723 175.286 174.600 -0.061 0.000 1.127 852 S CA -0.806 57.364 58.200 -0.050 0.000 0.883 852 S CB 0.756 63.912 63.200 -0.074 0.000 1.271 852 S HN 0.574 nan 8.310 nan 0.000 0.567 853 L N 0.472 121.591 121.223 -0.173 0.000 2.362 853 L HA 0.163 4.502 4.340 -0.000 0.000 0.219 853 L C 1.361 178.237 176.870 0.010 0.000 1.134 853 L CA 0.858 55.624 54.840 -0.124 0.000 0.807 853 L CB -0.770 41.141 42.059 -0.247 0.000 0.927 853 L HN 0.776 nan 8.230 nan 0.000 0.447 854 A N 0.470 123.319 122.820 0.049 0.000 2.302 854 A HA 0.466 4.786 4.320 -0.000 0.000 0.295 854 A C 0.488 178.183 177.584 0.184 0.000 1.235 854 A CA -0.219 51.906 52.037 0.147 0.000 0.876 854 A CB 0.011 19.119 19.000 0.180 0.000 1.133 854 A HN 0.298 nan 8.150 nan 0.000 0.533 855 T N -1.281 113.294 114.554 0.034 0.000 2.804 855 T HA 0.498 4.848 4.350 -0.000 0.000 0.272 855 T C 1.426 175.809 174.700 -0.528 0.000 0.986 855 T CA 0.295 62.257 62.100 -0.230 0.000 0.999 855 T CB 0.475 69.264 68.868 -0.131 0.000 1.307 855 T HN 0.868 nan 8.240 nan 0.000 0.586 856 T N -1.411 112.724 114.554 -0.698 0.000 2.833 856 T HA 0.018 4.368 4.350 -0.000 0.000 0.269 856 T C 1.309 175.919 174.700 -0.150 0.000 1.054 856 T CA 0.822 62.669 62.100 -0.421 0.000 1.135 856 T CB -0.395 68.327 68.868 -0.244 0.000 0.869 856 T HN 0.665 nan 8.240 nan 0.000 0.466 857 K N -0.202 120.134 120.400 -0.107 0.000 2.402 857 K HA 0.301 4.620 4.320 -0.000 0.000 0.204 857 K C 0.627 177.217 176.600 -0.015 0.000 1.056 857 K CA -0.324 55.942 56.287 -0.034 0.000 1.069 857 K CB 0.912 33.406 32.500 -0.010 0.000 0.888 857 K HN 0.195 nan 8.250 nan 0.000 0.546 858 R N 1.508 121.995 120.500 -0.023 0.000 2.534 858 R HA 0.309 4.649 4.340 -0.000 0.000 0.301 858 R C -1.098 175.229 176.300 0.045 0.000 0.961 858 R CA -0.562 55.546 56.100 0.014 0.000 0.871 858 R CB 1.158 31.469 30.300 0.018 0.000 1.170 858 R HN -0.052 nan 8.270 nan 0.000 0.446 859 R N 2.616 123.153 120.500 0.063 0.000 2.294 859 R HA 0.151 4.490 4.340 -0.000 0.000 0.319 859 R C -0.375 176.002 176.300 0.128 0.000 0.984 859 R CA -0.605 55.549 56.100 0.089 0.000 0.861 859 R CB 1.214 31.552 30.300 0.063 0.000 1.104 859 R HN 0.521 nan 8.270 nan 0.000 0.451 860 H N 5.089 124.198 119.070 0.065 0.000 2.821 860 H HA 0.077 4.633 4.556 -0.000 0.000 0.262 860 H C -0.960 174.436 175.328 0.113 0.000 1.402 860 H CA -0.291 55.809 56.048 0.086 0.000 1.293 860 H CB 0.558 30.388 29.762 0.113 0.000 1.533 860 H HN 0.609 nan 8.280 nan 0.000 0.528 861 Q N 3.699 123.401 119.800 -0.164 0.000 2.337 861 Q HA 0.379 4.719 4.340 -0.000 0.000 0.270 861 Q C -1.190 174.707 176.000 -0.170 0.000 1.043 861 Q CA -1.199 54.535 55.803 -0.114 0.000 0.794 861 Q CB 2.421 31.159 28.738 -0.001 0.000 1.281 861 Q HN 0.410 nan 8.270 nan 0.000 0.446 862 Q N 0.700 120.406 119.800 -0.157 0.000 2.194 862 Q HA 0.569 4.909 4.340 -0.000 0.000 0.245 862 Q C -0.738 175.233 176.000 -0.047 0.000 0.993 862 Q CA -0.422 55.272 55.803 -0.181 0.000 0.930 862 Q CB 1.963 30.558 28.738 -0.239 0.000 1.238 862 Q HN 0.707 nan 8.270 nan 0.000 0.486 863 T N 0.604 115.131 114.554 -0.046 0.000 3.305 863 T HA 0.420 4.769 4.350 -0.000 0.000 0.348 863 T C -0.578 174.185 174.700 0.105 0.000 1.394 863 T CA -0.513 61.638 62.100 0.085 0.000 1.549 863 T CB -0.165 68.787 68.868 0.141 0.000 0.962 863 T HN 0.450 nan 8.240 nan 0.000 0.609 864 V N -0.054 119.902 119.914 0.069 0.000 3.234 864 V HA 0.886 5.006 4.120 -0.000 0.000 0.317 864 V C -0.003 176.141 176.094 0.083 0.000 1.081 864 V CA -0.601 61.749 62.300 0.083 0.000 1.037 864 V CB 1.581 33.428 31.823 0.041 0.000 1.148 864 V HN 0.477 nan 8.190 nan 0.000 0.453 865 T N 2.217 116.816 114.554 0.075 0.000 2.861 865 T HA 0.706 5.055 4.350 -0.000 0.000 0.287 865 T C -0.511 174.208 174.700 0.032 0.000 1.003 865 T CA -0.145 61.984 62.100 0.049 0.000 0.977 865 T CB 1.191 70.082 68.868 0.039 0.000 0.996 865 T HN 0.641 nan 8.240 nan 0.000 0.448 866 I N 4.179 124.763 120.570 0.024 0.000 2.389 866 I HA 0.356 4.526 4.170 -0.000 0.000 0.288 866 I C -2.440 173.677 176.117 -0.000 0.000 0.999 866 I CA -2.746 58.559 61.300 0.009 0.000 1.129 866 I CB 2.034 40.046 38.000 0.019 0.000 1.288 866 I HN 0.296 nan 8.210 nan 0.000 0.444 867 P HA 0.136 nan 4.420 nan 0.000 0.269 867 P C -2.515 174.780 177.300 -0.009 0.000 1.215 867 P CA -1.046 62.046 63.100 -0.014 0.000 0.780 867 P CB -0.206 31.478 31.700 -0.027 0.000 0.898 868 P HA 0.040 nan 4.420 nan 0.000 0.268 868 P C -0.407 176.901 177.300 0.014 0.000 1.205 868 P CA 0.226 63.337 63.100 0.018 0.000 0.771 868 P CB 0.079 31.799 31.700 0.032 0.000 0.858 869 K N -0.499 119.906 120.400 0.008 0.000 3.096 869 K HA -0.116 4.204 4.320 -0.000 0.000 0.266 869 K C 0.030 176.607 176.600 -0.038 0.000 1.043 869 K CA 0.788 57.085 56.287 0.016 0.000 0.758 869 K CB -2.104 30.453 32.500 0.095 0.000 1.260 869 K HN 0.761 nan 8.250 nan 0.000 0.481 870 S N -2.016 113.603 115.700 -0.134 0.000 2.752 870 S HA 0.741 5.211 4.470 -0.000 0.000 0.284 870 S C -0.485 174.005 174.600 -0.182 0.000 1.189 870 S CA -0.324 57.825 58.200 -0.085 0.000 0.835 870 S CB 2.258 65.472 63.200 0.023 0.000 1.192 870 S HN 0.366 nan 8.310 nan 0.000 0.506 871 S N -0.070 115.545 115.700 -0.141 0.000 2.709 871 S HA 0.897 5.367 4.470 -0.000 0.000 0.302 871 S C -1.394 173.085 174.600 -0.202 0.000 1.127 871 S CA -0.791 57.226 58.200 -0.305 0.000 0.905 871 S CB 1.366 64.230 63.200 -0.559 0.000 1.151 871 S HN 1.571 nan 8.310 nan 0.000 0.510 872 L N 1.089 122.157 121.223 -0.259 0.000 2.562 872 L HA 0.636 4.976 4.340 -0.000 0.000 0.266 872 L C -0.481 176.299 176.870 -0.149 0.000 0.949 872 L CA -0.100 54.657 54.840 -0.138 0.000 0.879 872 L CB 1.848 43.865 42.059 -0.070 0.000 1.278 872 L HN 0.925 nan 8.230 nan 0.000 0.404 873 S N 3.441 119.079 115.700 -0.103 0.000 2.565 873 S HA 0.789 5.258 4.470 -0.000 0.000 0.274 873 S C -0.756 173.806 174.600 -0.063 0.000 1.309 873 S CA -0.343 57.809 58.200 -0.082 0.000 1.043 873 S CB 0.764 63.933 63.200 -0.052 0.000 0.939 873 S HN 0.511 nan 8.310 nan 0.000 0.504 874 V N 7.490 127.370 119.914 -0.057 0.000 2.380 874 V HA 0.392 4.512 4.120 -0.000 0.000 0.286 874 V C -2.382 173.593 176.094 -0.198 0.000 1.015 874 V CA -1.795 60.430 62.300 -0.125 0.000 0.834 874 V CB 1.373 33.147 31.823 -0.082 0.000 1.009 874 V HN 0.741 nan 8.190 nan 0.000 0.428 875 P HA 0.324 nan 4.420 nan 0.000 0.272 875 P C -1.372 175.686 177.300 -0.404 0.000 1.223 875 P CA -0.017 62.973 63.100 -0.184 0.000 0.784 875 P CB 0.299 31.935 31.700 -0.107 0.000 0.923 876 Y N -0.301 120.020 120.300 0.035 0.000 2.298 876 Y HA 0.237 4.787 4.550 -0.000 0.000 0.322 876 Y C -0.341 175.543 175.900 -0.026 0.000 1.138 876 Y CA -1.001 57.105 58.100 0.011 0.000 1.127 876 Y CB 1.229 39.687 38.460 -0.002 0.000 1.178 876 Y HN 0.103 nan 8.280 nan 0.000 0.428 877 V N 4.106 124.070 119.914 0.083 0.000 2.461 877 V HA 0.762 4.882 4.120 -0.000 0.000 0.275 877 V C 0.008 176.078 176.094 -0.041 0.000 1.047 877 V CA -0.419 61.882 62.300 0.001 0.000 0.955 877 V CB 0.437 32.204 31.823 -0.094 0.000 0.988 877 V HN 0.633 nan 8.190 nan 0.000 0.471 878 I N 2.298 122.849 120.570 -0.032 0.000 2.969 878 I HA 0.900 5.070 4.170 -0.000 0.000 0.307 878 I C -1.123 175.020 176.117 0.043 0.000 1.149 878 I CA -1.226 60.067 61.300 -0.012 0.000 1.008 878 I CB 2.622 40.572 38.000 -0.084 0.000 1.232 878 I HN 0.350 nan 8.210 nan 0.000 0.435 879 V N 3.050 123.033 119.914 0.115 0.000 2.462 879 V HA 0.392 4.512 4.120 -0.000 0.000 0.288 879 V C -2.459 173.711 176.094 0.127 0.000 1.020 879 V CA -1.473 60.879 62.300 0.087 0.000 0.857 879 V CB 1.461 33.280 31.823 -0.007 0.000 1.013 879 V HN 0.642 nan 8.190 nan 0.000 0.431 880 P HA 0.196 nan 4.420 nan 0.000 0.265 880 P C 0.453 177.664 177.300 -0.147 0.000 1.193 880 P CA 0.397 63.434 63.100 -0.105 0.000 0.765 880 P CB 0.844 32.528 31.700 -0.028 0.000 0.823 881 L N 2.143 123.218 121.223 -0.247 0.000 2.547 881 L HA 0.206 4.546 4.340 -0.000 0.000 0.218 881 L C 0.933 177.723 176.870 -0.134 0.000 1.048 881 L CA 0.418 55.168 54.840 -0.150 0.000 0.859 881 L CB -0.194 41.787 42.059 -0.129 0.000 1.128 881 L HN 0.339 nan 8.230 nan 0.000 0.483 882 K N 0.672 120.956 120.400 -0.194 0.000 2.324 882 K HA 0.472 4.791 4.320 -0.000 0.000 0.253 882 K C -0.277 176.233 176.600 -0.151 0.000 0.932 882 K CA -0.607 55.596 56.287 -0.141 0.000 0.799 882 K CB 1.750 34.176 32.500 -0.123 0.000 1.154 882 K HN -0.084 nan 8.250 nan 0.000 0.425 883 T N -0.687 113.805 114.554 -0.103 0.000 2.766 883 T HA 0.557 4.906 4.350 -0.000 0.000 0.295 883 T C 0.749 175.397 174.700 -0.087 0.000 1.024 883 T CA 0.288 62.333 62.100 -0.092 0.000 1.018 883 T CB 0.589 69.413 68.868 -0.073 0.000 1.002 883 T HN 1.208 nan 8.240 nan 0.000 0.532 884 G N -0.139 108.616 108.800 -0.075 0.000 2.603 884 G HA2 0.111 4.071 3.960 -0.000 0.000 0.686 884 G HA3 0.111 4.071 3.960 -0.000 0.000 0.686 884 G C -0.798 174.068 174.900 -0.056 0.000 1.286 884 G CA -0.538 44.526 45.100 -0.060 0.000 0.871 884 G HN 1.298 nan 8.290 nan 0.000 0.568 885 L N 1.356 122.556 121.223 -0.039 0.000 2.617 885 L HA 0.354 4.694 4.340 -0.000 0.000 0.282 885 L C 1.019 177.888 176.870 -0.002 0.000 1.174 885 L CA 0.078 54.905 54.840 -0.022 0.000 1.016 885 L CB -0.168 41.883 42.059 -0.013 0.000 1.337 885 L HN 0.586 nan 8.230 nan 0.000 0.460 886 Q N 3.231 123.042 119.800 0.019 0.000 2.189 886 Q HA 0.336 4.676 4.340 -0.000 0.000 0.193 886 Q C -0.434 175.663 176.000 0.162 0.000 1.034 886 Q CA -0.264 55.577 55.803 0.064 0.000 1.062 886 Q CB 0.861 29.594 28.738 -0.008 0.000 1.118 886 Q HN 0.664 nan 8.270 nan 0.000 0.569 887 E N 0.030 120.383 120.200 0.255 0.000 2.260 887 E HA 0.431 4.781 4.350 -0.000 0.000 0.266 887 E C -1.625 175.064 176.600 0.148 0.000 0.887 887 E CA -0.389 56.113 56.400 0.169 0.000 0.777 887 E CB 1.491 31.251 29.700 0.101 0.000 1.205 887 E HN 0.218 nan 8.360 nan 0.000 0.414 888 V N 4.074 123.978 119.914 -0.017 0.000 2.435 888 V HA 0.427 4.547 4.120 -0.000 0.000 0.290 888 V C -0.311 175.723 176.094 -0.100 0.000 1.030 888 V CA -0.548 61.639 62.300 -0.188 0.000 0.881 888 V CB 1.551 33.165 31.823 -0.349 0.000 0.983 888 V HN 0.740 nan 8.190 nan 0.000 0.445 889 E N 3.465 123.600 120.200 -0.108 0.000 2.263 889 E HA 0.672 5.021 4.350 -0.000 0.000 0.268 889 E C -1.508 175.036 176.600 -0.093 0.000 0.884 889 E CA -0.569 55.798 56.400 -0.056 0.000 0.766 889 E CB 2.258 31.953 29.700 -0.008 0.000 1.196 889 E HN 0.617 nan 8.360 nan 0.000 0.416 890 V N 0.878 120.749 119.914 -0.070 0.000 2.735 890 V HA 0.711 4.831 4.120 -0.000 0.000 0.310 890 V C -0.873 175.223 176.094 0.003 0.000 1.061 890 V CA -0.838 61.413 62.300 -0.082 0.000 0.913 890 V CB 1.736 33.480 31.823 -0.132 0.000 1.005 890 V HN 0.597 nan 8.190 nan 0.000 0.428 891 K N 2.378 122.793 120.400 0.024 0.000 2.385 891 K HA 0.957 5.277 4.320 -0.000 0.000 0.248 891 K C -0.901 175.759 176.600 0.100 0.000 0.955 891 K CA -0.576 55.752 56.287 0.068 0.000 0.816 891 K CB 2.577 35.114 32.500 0.061 0.000 1.250 891 K HN 1.250 nan 8.250 nan 0.000 0.434 892 A N 0.882 123.790 122.820 0.146 0.000 2.540 892 A HA 0.777 5.097 4.320 -0.000 0.000 0.297 892 A C -1.811 175.920 177.584 0.245 0.000 1.056 892 A CA -0.596 51.562 52.037 0.201 0.000 0.700 892 A CB 1.708 20.872 19.000 0.273 0.000 1.280 892 A HN 0.691 nan 8.150 nan 0.000 0.398 893 A N 0.976 123.875 122.820 0.133 0.000 2.454 893 A HA 0.844 5.164 4.320 -0.000 0.000 0.302 893 A C -0.214 177.320 177.584 -0.083 0.000 1.079 893 A CA -0.134 51.924 52.037 0.036 0.000 0.731 893 A CB 1.295 20.270 19.000 -0.041 0.000 1.299 893 A HN 2.186 nan 8.150 nan 0.000 0.413 894 V N -0.721 119.089 119.914 -0.173 0.000 2.617 894 V HA 0.646 4.766 4.120 -0.000 0.000 0.298 894 V C -0.599 175.404 176.094 -0.150 0.000 1.048 894 V CA -0.871 61.343 62.300 -0.143 0.000 0.964 894 V CB 0.467 32.149 31.823 -0.235 0.000 1.004 894 V HN 0.665 nan 8.190 nan 0.000 0.466 895 Y N 4.072 124.291 120.300 -0.135 0.000 2.346 895 Y HA 0.380 4.930 4.550 -0.000 0.000 0.330 895 Y C 1.548 177.334 175.900 -0.190 0.000 1.178 895 Y CA 1.092 59.048 58.100 -0.240 0.000 1.331 895 Y CB 0.159 38.488 38.460 -0.218 0.000 1.253 895 Y HN 0.921 nan 8.280 nan 0.000 0.529 896 H N -1.120 117.860 119.070 -0.151 0.000 4.919 896 H HA -0.304 4.252 4.556 -0.000 0.000 0.068 896 H C 0.056 175.222 175.328 -0.270 0.000 0.578 896 H CA 1.572 57.494 56.048 -0.210 0.000 1.013 896 H CB -1.225 28.444 29.762 -0.155 0.000 0.454 896 H HN 0.792 nan 8.280 nan 0.000 0.774 897 H N 0.321 119.362 119.070 -0.048 0.000 2.683 897 H HA 0.168 4.724 4.556 -0.000 0.000 0.339 897 H C 0.066 175.284 175.328 -0.183 0.000 1.081 897 H CA -0.201 55.818 56.048 -0.050 0.000 1.432 897 H CB 0.241 29.986 29.762 -0.028 0.000 1.462 897 H HN 0.038 nan 8.280 nan 0.000 0.557 898 F N 5.050 125.098 119.950 0.164 0.000 2.606 898 F HA 0.241 4.768 4.527 -0.000 0.000 0.347 898 F C -0.212 175.628 175.800 0.067 0.000 1.207 898 F CA -0.015 58.031 58.000 0.077 0.000 1.306 898 F CB -0.354 38.684 39.000 0.063 0.000 1.657 898 F HN 0.249 nan 8.300 nan 0.000 0.606 899 I N 0.205 120.858 120.570 0.139 0.000 2.934 899 I HA 0.659 4.829 4.170 -0.000 0.000 0.306 899 I C -0.395 175.816 176.117 0.156 0.000 1.110 899 I CA -0.843 60.543 61.300 0.143 0.000 1.019 899 I CB 2.474 40.532 38.000 0.096 0.000 1.227 899 I HN 0.177 nan 8.210 nan 0.000 0.434 900 S N 1.572 117.429 115.700 0.262 0.000 2.615 900 S HA 0.693 5.163 4.470 -0.000 0.000 0.268 900 S C -1.880 172.902 174.600 0.303 0.000 1.146 900 S CA -0.777 57.606 58.200 0.305 0.000 0.818 900 S CB 2.633 65.939 63.200 0.178 0.000 1.111 900 S HN 0.722 nan 8.310 nan 0.000 0.465 901 D N -0.772 119.782 120.400 0.258 0.000 2.726 901 D HA 0.524 5.164 4.640 -0.000 0.000 0.203 901 D C -0.401 175.976 176.300 0.129 0.000 1.297 901 D CA 0.209 54.308 54.000 0.165 0.000 0.863 901 D CB 1.385 42.256 40.800 0.120 0.000 1.669 901 D HN 0.968 nan 8.370 nan 0.000 0.561 902 G N 0.974 109.844 108.800 0.117 0.000 2.400 902 G HA2 0.617 4.577 3.960 -0.000 0.000 0.333 902 G HA3 0.617 4.577 3.960 -0.000 0.000 0.333 902 G C -0.933 174.044 174.900 0.129 0.000 1.143 902 G CA -0.574 44.588 45.100 0.103 0.000 0.914 902 G HN 0.353 nan 8.290 nan 0.000 0.480 903 V N 1.422 121.407 119.914 0.119 0.000 2.483 903 V HA 0.508 4.628 4.120 -0.000 0.000 0.297 903 V C 0.139 176.317 176.094 0.139 0.000 1.027 903 V CA -0.801 61.605 62.300 0.176 0.000 0.855 903 V CB 1.697 33.588 31.823 0.113 0.000 0.995 903 V HN 0.795 nan 8.190 nan 0.000 0.424 904 R N 3.886 124.515 120.500 0.216 0.000 2.860 904 R HA 0.390 4.730 4.340 -0.000 0.000 0.282 904 R C -0.096 176.325 176.300 0.201 0.000 1.408 904 R CA -0.379 55.809 56.100 0.147 0.000 1.636 904 R CB 0.339 30.700 30.300 0.101 0.000 1.187 904 R HN 0.655 nan 8.270 nan 0.000 0.611 905 K N 0.393 120.879 120.400 0.144 0.000 2.090 905 K HA 0.359 4.679 4.320 -0.000 0.000 0.250 905 K C -0.418 176.224 176.600 0.070 0.000 1.004 905 K CA -0.404 55.954 56.287 0.118 0.000 0.919 905 K CB 1.560 34.046 32.500 -0.023 0.000 1.045 905 K HN 0.173 nan 8.250 nan 0.000 0.471 906 S N 1.357 117.099 115.700 0.070 0.000 2.521 906 S HA 0.475 4.945 4.470 -0.000 0.000 0.295 906 S C -0.903 173.714 174.600 0.028 0.000 1.098 906 S CA -0.983 57.251 58.200 0.057 0.000 0.999 906 S CB 0.858 64.094 63.200 0.061 0.000 1.034 906 S HN 0.521 nan 8.310 nan 0.000 0.483 907 L N 0.060 121.303 121.223 0.034 0.000 2.362 907 L HA 0.714 5.054 4.340 -0.000 0.000 0.271 907 L C -0.850 176.004 176.870 -0.027 0.000 1.002 907 L CA -1.028 53.806 54.840 -0.009 0.000 0.818 907 L CB 1.291 43.356 42.059 0.010 0.000 1.298 907 L HN 0.348 nan 8.230 nan 0.000 0.420 908 K N 2.406 122.726 120.400 -0.133 0.000 2.322 908 K HA 0.396 4.715 4.320 -0.000 0.000 0.283 908 K C -0.867 175.673 176.600 -0.100 0.000 1.042 908 K CA -0.496 55.701 56.287 -0.151 0.000 0.958 908 K CB 1.761 34.086 32.500 -0.291 0.000 0.984 908 K HN 0.473 nan 8.250 nan 0.000 0.473 909 V N 4.561 124.434 119.914 -0.069 0.000 2.293 909 V HA 0.138 4.258 4.120 -0.000 0.000 0.275 909 V C -0.214 175.839 176.094 -0.069 0.000 1.021 909 V CA -0.835 61.432 62.300 -0.055 0.000 0.815 909 V CB 1.078 32.858 31.823 -0.071 0.000 1.025 909 V HN 0.453 nan 8.190 nan 0.000 0.448 910 V N 8.271 128.148 119.914 -0.063 0.000 2.472 910 V HA 0.420 4.540 4.120 -0.000 0.000 0.290 910 V C -1.402 174.650 176.094 -0.069 0.000 1.037 910 V CA -1.499 60.754 62.300 -0.078 0.000 0.908 910 V CB 1.912 33.691 31.823 -0.074 0.000 0.985 910 V HN 0.625 nan 8.190 nan 0.000 0.454 911 P HA 0.021 nan 4.420 nan 0.000 0.302 911 P C -0.508 176.762 177.300 -0.050 0.000 1.301 911 P CA -0.135 62.925 63.100 -0.066 0.000 0.770 911 P CB 0.389 32.044 31.700 -0.076 0.000 1.458 912 E N -0.695 119.487 120.200 -0.031 0.000 2.121 912 E HA 0.630 4.980 4.350 -0.000 0.000 0.255 912 E C -0.081 176.522 176.600 0.005 0.000 0.906 912 E CA -0.927 55.469 56.400 -0.007 0.000 0.745 912 E CB 0.406 30.108 29.700 0.004 0.000 1.155 912 E HN 0.523 nan 8.360 nan 0.000 0.424 913 G N 2.332 111.140 108.800 0.014 0.000 2.687 913 G HA2 0.587 4.546 3.960 -0.000 0.000 0.291 913 G HA3 0.587 4.546 3.960 -0.000 0.000 0.291 913 G C -1.668 173.285 174.900 0.090 0.000 1.420 913 G CA -0.860 44.275 45.100 0.058 0.000 0.796 913 G HN 0.520 nan 8.290 nan 0.000 0.485 914 I N -0.063 120.558 120.570 0.085 0.000 2.619 914 I HA 0.526 4.695 4.170 -0.000 0.000 0.292 914 I C -0.358 175.718 176.117 -0.068 0.000 1.100 914 I CA -1.124 60.197 61.300 0.035 0.000 1.043 914 I CB 1.901 39.900 38.000 -0.002 0.000 1.239 914 I HN 0.375 nan 8.210 nan 0.000 0.420 915 R N 6.853 127.295 120.500 -0.097 0.000 2.679 915 R HA 0.457 4.796 4.340 -0.000 0.000 0.268 915 R C -0.830 175.303 176.300 -0.277 0.000 1.044 915 R CA 0.232 56.185 56.100 -0.246 0.000 1.105 915 R CB 0.708 30.906 30.300 -0.170 0.000 0.989 915 R HN 0.691 nan 8.270 nan 0.000 0.447 916 M N 1.656 121.021 119.600 -0.391 0.000 2.523 916 M HA 0.090 4.569 4.480 -0.000 0.000 0.287 916 M C -1.252 174.915 176.300 -0.222 0.000 1.160 916 M CA -0.770 54.341 55.300 -0.315 0.000 0.902 916 M CB 2.383 34.752 32.600 -0.384 0.000 1.752 916 M HN 0.537 nan 8.290 nan 0.000 0.504 917 N N 1.490 120.150 118.700 -0.067 0.000 2.918 917 N HA 0.280 5.020 4.740 -0.000 0.000 0.270 917 N C -1.352 174.204 175.510 0.076 0.000 1.536 917 N CA -0.712 52.351 53.050 0.021 0.000 0.877 917 N CB 0.443 38.929 38.487 -0.001 0.000 1.190 917 N HN 0.439 nan 8.380 nan 0.000 0.492 918 K N 0.450 120.952 120.400 0.169 0.000 2.448 918 K HA 0.100 4.419 4.320 -0.000 0.000 0.278 918 K C -0.211 176.442 176.600 0.088 0.000 1.009 918 K CA 0.302 56.676 56.287 0.144 0.000 0.995 918 K CB 0.406 33.029 32.500 0.205 0.000 0.917 918 K HN 0.331 nan 8.250 nan 0.000 0.481 919 T N 2.687 117.274 114.554 0.056 0.000 2.761 919 T HA 0.053 4.403 4.350 -0.000 0.000 0.296 919 T C 1.685 176.401 174.700 0.027 0.000 0.934 919 T CA -0.623 61.499 62.100 0.038 0.000 1.091 919 T CB 1.088 69.971 68.868 0.026 0.000 0.896 919 T HN 0.265 nan 8.240 nan 0.000 0.515 920 V N 2.486 122.416 119.914 0.027 0.000 2.221 920 V HA 0.209 4.329 4.120 -0.000 0.000 0.242 920 V C 1.138 177.228 176.094 -0.006 0.000 1.041 920 V CA 1.711 64.018 62.300 0.011 0.000 0.995 920 V CB -0.622 31.216 31.823 0.025 0.000 0.635 920 V HN 1.053 nan 8.190 nan 0.000 0.448 921 A N -0.922 121.896 122.820 -0.004 0.000 2.608 921 A HA 0.663 4.983 4.320 -0.000 0.000 0.292 921 A C -1.321 176.260 177.584 -0.004 0.000 1.066 921 A CA 0.054 52.082 52.037 -0.015 0.000 0.676 921 A CB 1.942 20.917 19.000 -0.043 0.000 1.277 921 A HN 0.914 nan 8.150 nan 0.000 0.413 922 V N -0.605 119.306 119.914 -0.006 0.000 2.439 922 V HA 0.792 4.911 4.120 -0.000 0.000 0.277 922 V C -0.544 175.548 176.094 -0.003 0.000 1.008 922 V CA -0.625 61.675 62.300 0.000 0.000 0.846 922 V CB 0.476 32.301 31.823 0.004 0.000 1.031 922 V HN 0.921 nan 8.190 nan 0.000 0.441 923 R N 1.678 122.176 120.500 -0.003 0.000 2.912 923 R HA 0.817 5.157 4.340 -0.000 0.000 0.262 923 R C -0.590 175.712 176.300 0.003 0.000 1.057 923 R CA -0.795 55.303 56.100 -0.003 0.000 0.981 923 R CB 2.382 32.675 30.300 -0.012 0.000 1.201 923 R HN 0.657 nan 8.270 nan 0.000 0.484 924 T N 1.935 116.491 114.554 0.004 0.000 2.837 924 T HA 0.392 4.741 4.350 -0.000 0.000 0.285 924 T C -0.234 174.472 174.700 0.010 0.000 0.984 924 T CA -0.528 61.578 62.100 0.009 0.000 1.049 924 T CB 0.625 69.499 68.868 0.011 0.000 0.947 924 T HN 0.162 nan 8.240 nan 0.000 0.472 925 L N 3.693 124.924 121.223 0.013 0.000 2.277 925 L HA 0.502 4.841 4.340 -0.000 0.000 0.284 925 L C -0.351 176.528 176.870 0.015 0.000 1.028 925 L CA -0.461 54.388 54.840 0.014 0.000 0.835 925 L CB 0.838 42.908 42.059 0.017 0.000 1.215 925 L HN 0.615 nan 8.230 nan 0.000 0.425 926 D N 4.901 125.310 120.400 0.015 0.000 2.351 926 D HA 0.221 4.861 4.640 -0.000 0.000 0.235 926 D C -2.196 174.112 176.300 0.014 0.000 1.331 926 D CA -1.333 52.677 54.000 0.016 0.000 0.959 926 D CB 2.048 42.861 40.800 0.022 0.000 1.432 926 D HN 0.034 nan 8.370 nan 0.000 0.544 927 P HA -0.132 nan 4.420 nan 0.000 0.216 927 P C 1.134 178.441 177.300 0.012 0.000 1.150 927 P CA 0.905 64.012 63.100 0.010 0.000 0.837 927 P CB 0.442 32.147 31.700 0.008 0.000 0.786 928 E N -0.736 119.471 120.200 0.012 0.000 2.267 928 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 928 E C 1.996 178.608 176.600 0.019 0.000 0.998 928 E CA 1.317 57.725 56.400 0.014 0.000 0.830 928 E CB -0.152 29.555 29.700 0.012 0.000 0.751 928 E HN -0.045 nan 8.360 nan 0.000 0.491 929 R N -0.880 119.632 120.500 0.020 0.000 2.306 929 R HA 0.343 4.683 4.340 -0.000 0.000 0.183 929 R C -0.231 176.079 176.300 0.018 0.000 0.937 929 R CA 0.429 56.542 56.100 0.022 0.000 1.118 929 R CB 0.149 30.465 30.300 0.027 0.000 1.224 929 R HN 0.118 nan 8.270 nan 0.000 0.597 930 L N 1.019 122.251 121.223 0.015 0.000 2.275 930 L HA 0.478 4.818 4.340 -0.000 0.000 0.288 930 L C 0.697 177.573 176.870 0.010 0.000 1.046 930 L CA 0.093 54.940 54.840 0.012 0.000 0.805 930 L CB 1.846 43.911 42.059 0.011 0.000 1.193 930 L HN 0.687 nan 8.230 nan 0.000 0.426 931 G N 2.031 110.836 108.800 0.008 0.000 2.176 931 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.253 931 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.253 931 G C 0.890 175.795 174.900 0.008 0.000 0.979 931 G CA 0.649 45.753 45.100 0.007 0.000 0.641 931 G HN 0.824 nan 8.290 nan 0.000 0.530 932 R N -0.287 120.219 120.500 0.010 0.000 3.844 932 R HA -0.428 3.911 4.340 -0.000 0.000 0.414 932 R C 1.547 177.853 176.300 0.010 0.000 0.248 932 R CA 3.560 59.666 56.100 0.011 0.000 1.320 932 R CB -1.675 28.631 30.300 0.010 0.000 0.937 932 R HN 1.060 nan 8.270 nan 0.000 0.585 933 E N -1.265 118.941 120.200 0.009 0.000 3.729 933 E HA -0.370 3.980 4.350 -0.000 0.000 0.365 933 E C 0.958 177.564 176.600 0.009 0.000 1.394 933 E CA 3.288 59.693 56.400 0.008 0.000 1.734 933 E CB -1.395 28.310 29.700 0.007 0.000 1.570 933 E HN 0.927 nan 8.360 nan 0.000 0.306 934 G N -1.725 107.080 108.800 0.009 0.000 4.226 934 G HA2 0.065 4.025 3.960 -0.000 0.000 0.220 934 G HA3 0.065 4.025 3.960 -0.000 0.000 0.220 934 G C -0.262 174.643 174.900 0.008 0.000 0.817 934 G CA 0.384 45.489 45.100 0.009 0.000 0.879 934 G HN 1.046 nan 8.290 nan 0.000 0.669 935 V N -0.701 119.218 119.914 0.009 0.000 2.462 935 V HA 0.596 4.716 4.120 -0.000 0.000 0.257 935 V C -0.007 176.093 176.094 0.010 0.000 0.944 935 V CA -0.618 61.688 62.300 0.010 0.000 0.903 935 V CB 0.591 32.419 31.823 0.010 0.000 1.128 935 V HN 0.369 nan 8.190 nan 0.000 0.486 936 Q N 3.175 122.981 119.800 0.010 0.000 2.269 936 Q HA 0.163 4.503 4.340 -0.000 0.000 0.300 936 Q C -0.038 175.968 176.000 0.010 0.000 1.070 936 Q CA 0.472 56.280 55.803 0.009 0.000 0.957 936 Q CB 0.681 29.424 28.738 0.009 0.000 1.131 936 Q HN 0.883 nan 8.270 nan 0.000 0.377 937 K N 2.240 122.643 120.400 0.006 0.000 2.166 937 K HA 0.656 4.976 4.320 -0.000 0.000 0.245 937 K C -1.246 175.351 176.600 -0.005 0.000 0.967 937 K CA -0.874 55.415 56.287 0.005 0.000 0.863 937 K CB 1.693 34.195 32.500 0.003 0.000 1.107 937 K HN 0.391 nan 8.250 nan 0.000 0.436 938 E N 0.787 120.980 120.200 -0.013 0.000 2.334 938 E HA 0.253 4.602 4.350 -0.000 0.000 0.280 938 E C -1.654 174.903 176.600 -0.072 0.000 0.899 938 E CA -0.414 55.964 56.400 -0.036 0.000 0.813 938 E CB 0.847 30.527 29.700 -0.033 0.000 1.318 938 E HN 0.594 nan 8.360 nan 0.000 0.399 939 D N 3.996 124.349 120.400 -0.078 0.000 2.351 939 D HA 0.262 4.902 4.640 -0.000 0.000 0.251 939 D C 0.079 176.274 176.300 -0.175 0.000 1.137 939 D CA 0.249 54.184 54.000 -0.109 0.000 0.879 939 D CB 0.784 41.540 40.800 -0.073 0.000 1.181 939 D HN 0.399 nan 8.370 nan 0.000 0.448 940 I N 3.805 124.203 120.570 -0.287 0.000 2.420 940 I HA 0.195 4.364 4.170 -0.000 0.000 0.282 940 I C -2.341 173.591 176.117 -0.309 0.000 1.019 940 I CA -2.104 58.955 61.300 -0.402 0.000 1.130 940 I CB 1.862 39.339 38.000 -0.871 0.000 1.262 940 I HN -0.063 nan 8.210 nan 0.000 0.454 941 P HA 0.171 nan 4.420 nan 0.000 0.271 941 P C -2.328 174.916 177.300 -0.092 0.000 1.216 941 P CA -0.839 62.195 63.100 -0.110 0.000 0.776 941 P CB -0.094 31.559 31.700 -0.077 0.000 0.881 942 P HA 0.151 nan 4.420 nan 0.000 0.274 942 P C -0.857 176.428 177.300 -0.025 0.000 1.256 942 P CA -0.425 62.670 63.100 -0.008 0.000 0.795 942 P CB 0.489 32.194 31.700 0.009 0.000 1.038 943 A N 1.418 124.222 122.820 -0.026 0.000 2.404 943 A HA 0.142 4.462 4.320 -0.000 0.000 0.273 943 A C 1.358 178.890 177.584 -0.086 0.000 1.144 943 A CA -0.338 51.660 52.037 -0.065 0.000 0.806 943 A CB -0.413 18.529 19.000 -0.097 0.000 1.080 943 A HN 0.656 nan 8.150 nan 0.000 0.509 944 D N 3.659 124.012 120.400 -0.078 0.000 2.117 944 D HA -0.185 4.455 4.640 -0.000 0.000 0.198 944 D C 0.807 177.047 176.300 -0.101 0.000 0.982 944 D CA 0.935 54.894 54.000 -0.069 0.000 0.828 944 D CB -0.890 39.883 40.800 -0.046 0.000 0.967 944 D HN 0.874 nan 8.370 nan 0.000 0.464 945 L N 1.141 122.269 121.223 -0.158 0.000 4.105 945 L HA -0.222 4.118 4.340 -0.000 0.000 0.484 945 L C 1.188 177.997 176.870 -0.102 0.000 1.129 945 L CA 0.633 55.338 54.840 -0.225 0.000 0.657 945 L CB -3.322 38.432 42.059 -0.508 0.000 1.409 945 L HN 0.121 nan 8.230 nan 0.000 0.770 946 S N -1.172 114.502 115.700 -0.043 0.000 2.500 946 S HA -0.105 4.365 4.470 -0.000 0.000 0.239 946 S C 0.992 175.600 174.600 0.014 0.000 0.989 946 S CA 0.661 58.853 58.200 -0.013 0.000 0.951 946 S CB -0.333 62.865 63.200 -0.003 0.000 0.759 946 S HN 0.829 nan 8.310 nan 0.000 0.523 947 D N 0.296 120.719 120.400 0.039 0.000 2.772 947 D HA 0.131 4.771 4.640 -0.000 0.000 0.272 947 D C -0.026 176.355 176.300 0.135 0.000 1.314 947 D CA -0.409 53.640 54.000 0.081 0.000 0.835 947 D CB -0.572 40.285 40.800 0.096 0.000 1.080 947 D HN 0.512 nan 8.370 nan 0.000 0.482 948 Q N 0.988 120.847 119.800 0.099 0.000 2.294 948 Q HA 0.275 4.615 4.340 -0.000 0.000 0.257 948 Q C -0.480 175.589 176.000 0.115 0.000 0.955 948 Q CA -0.637 55.257 55.803 0.152 0.000 0.936 948 Q CB 1.368 30.140 28.738 0.055 0.000 1.188 948 Q HN -0.005 nan 8.270 nan 0.000 0.420 949 V N 7.828 127.824 119.914 0.137 0.000 2.509 949 V HA 0.034 4.154 4.120 -0.000 0.000 0.297 949 V C -1.952 174.178 176.094 0.060 0.000 1.014 949 V CA -0.871 61.478 62.300 0.082 0.000 1.127 949 V CB 0.124 31.989 31.823 0.070 0.000 0.925 949 V HN 0.827 nan 8.190 nan 0.000 0.480 950 P HA 0.047 nan 4.420 nan 0.000 0.266 950 P C 0.357 177.664 177.300 0.012 0.000 1.193 950 P CA 0.458 63.570 63.100 0.020 0.000 0.770 950 P CB 0.201 31.907 31.700 0.009 0.000 0.836 951 D N -0.354 120.052 120.400 0.009 0.000 2.947 951 D HA -0.124 4.516 4.640 -0.000 0.000 0.224 951 D C -0.789 175.513 176.300 0.003 0.000 1.132 951 D CA 1.515 55.515 54.000 -0.000 0.000 0.801 951 D CB -1.579 39.213 40.800 -0.013 0.000 1.097 951 D HN 0.496 nan 8.370 nan 0.000 0.431 952 T N -1.970 112.602 114.554 0.030 0.000 2.893 952 T HA 0.704 5.054 4.350 -0.000 0.000 0.291 952 T C -0.065 174.691 174.700 0.094 0.000 1.028 952 T CA -0.953 61.181 62.100 0.057 0.000 0.995 952 T CB 2.129 71.052 68.868 0.091 0.000 1.051 952 T HN 0.114 nan 8.240 nan 0.000 0.470 953 E N 1.289 121.558 120.200 0.116 0.000 2.319 953 E HA 0.639 4.989 4.350 -0.000 0.000 0.268 953 E C -0.530 176.159 176.600 0.149 0.000 1.050 953 E CA -0.900 55.565 56.400 0.108 0.000 0.878 953 E CB 0.954 30.704 29.700 0.083 0.000 1.066 953 E HN 0.829 nan 8.360 nan 0.000 0.406 954 S N 0.184 115.947 115.700 0.105 0.000 2.603 954 S HA 0.434 4.904 4.470 -0.000 0.000 0.274 954 S C -0.957 173.682 174.600 0.066 0.000 1.168 954 S CA -1.175 57.092 58.200 0.111 0.000 0.963 954 S CB 0.736 64.005 63.200 0.116 0.000 1.078 954 S HN 0.656 nan 8.310 nan 0.000 0.477 955 E N 1.359 121.596 120.200 0.061 0.000 2.202 955 E HA 0.662 5.012 4.350 -0.000 0.000 0.272 955 E C -1.078 175.545 176.600 0.038 0.000 0.951 955 E CA -0.848 55.574 56.400 0.037 0.000 0.813 955 E CB 1.485 31.201 29.700 0.027 0.000 1.151 955 E HN 0.443 nan 8.360 nan 0.000 0.398 956 T N 2.417 116.986 114.554 0.023 0.000 2.779 956 T HA 0.341 4.691 4.350 -0.000 0.000 0.280 956 T C -0.555 174.152 174.700 0.011 0.000 0.987 956 T CA -0.692 61.428 62.100 0.033 0.000 0.966 956 T CB 0.904 69.804 68.868 0.053 0.000 0.933 956 T HN 0.415 nan 8.240 nan 0.000 0.442 957 R N 3.594 124.109 120.500 0.025 0.000 2.387 957 R HA 0.579 4.918 4.340 -0.000 0.000 0.314 957 R C -0.889 175.425 176.300 0.023 0.000 0.958 957 R CA -0.638 55.466 56.100 0.006 0.000 0.846 957 R CB 0.600 30.903 30.300 0.005 0.000 1.147 957 R HN 0.601 nan 8.270 nan 0.000 0.447 958 I N 5.671 126.239 120.570 -0.003 0.000 2.353 958 I HA 0.299 4.469 4.170 -0.000 0.000 0.293 958 I C -0.412 175.703 176.117 -0.004 0.000 0.992 958 I CA -0.771 60.544 61.300 0.025 0.000 1.268 958 I CB 1.647 39.646 38.000 -0.001 0.000 1.387 958 I HN 0.473 nan 8.210 nan 0.000 0.478 959 L N 7.472 128.702 121.223 0.012 0.000 2.349 959 L HA 0.556 4.895 4.340 -0.000 0.000 0.278 959 L C -1.322 175.543 176.870 -0.007 0.000 0.996 959 L CA -0.521 54.313 54.840 -0.010 0.000 0.825 959 L CB 1.408 43.465 42.059 -0.004 0.000 1.243 959 L HN 0.546 nan 8.230 nan 0.000 0.412 960 L N 5.041 126.246 121.223 -0.031 0.000 2.296 960 L HA 0.533 4.873 4.340 -0.000 0.000 0.286 960 L C -0.560 176.295 176.870 -0.025 0.000 1.023 960 L CA -0.081 54.745 54.840 -0.022 0.000 0.812 960 L CB 1.745 43.784 42.059 -0.034 0.000 1.223 960 L HN 0.613 nan 8.230 nan 0.000 0.421 961 Q N 2.171 121.963 119.800 -0.013 0.000 2.305 961 Q HA 0.562 4.902 4.340 -0.000 0.000 0.271 961 Q C -0.500 175.494 176.000 -0.010 0.000 1.046 961 Q CA -0.671 55.123 55.803 -0.016 0.000 0.798 961 Q CB 2.167 30.896 28.738 -0.014 0.000 1.286 961 Q HN 0.691 nan 8.270 nan 0.000 0.435 962 G N 1.645 110.436 108.800 -0.016 0.000 2.370 962 G HA2 0.341 4.301 3.960 -0.000 0.000 0.272 962 G HA3 0.341 4.301 3.960 -0.000 0.000 0.272 962 G C -0.527 174.369 174.900 -0.006 0.000 1.208 962 G CA -0.217 44.877 45.100 -0.009 0.000 0.856 962 G HN 0.560 nan 8.290 nan 0.000 0.500 963 T N 5.236 119.798 114.554 0.013 0.000 3.262 963 T HA 0.376 4.726 4.350 -0.000 0.000 0.374 963 T C -2.313 172.416 174.700 0.048 0.000 1.504 963 T CA -0.806 61.306 62.100 0.021 0.000 1.158 963 T CB 1.026 69.908 68.868 0.024 0.000 1.157 963 T HN 0.327 nan 8.240 nan 0.000 0.644 964 P HA 0.360 nan 4.420 nan 0.000 0.279 964 P C -0.669 176.705 177.300 0.124 0.000 1.239 964 P CA -0.597 62.567 63.100 0.107 0.000 0.789 964 P CB 0.834 32.560 31.700 0.043 0.000 0.933 965 V N -0.390 119.642 119.914 0.197 0.000 2.327 965 V HA 0.765 4.885 4.120 -0.000 0.000 0.272 965 V C 0.236 176.458 176.094 0.213 0.000 1.019 965 V CA -0.916 61.475 62.300 0.152 0.000 0.814 965 V CB 0.458 32.329 31.823 0.081 0.000 1.040 965 V HN 0.628 nan 8.190 nan 0.000 0.440 966 A N 3.601 126.538 122.820 0.194 0.000 2.495 966 A HA 0.827 5.147 4.320 -0.000 0.000 0.260 966 A C 0.437 178.075 177.584 0.091 0.000 1.608 966 A CA 0.165 52.322 52.037 0.201 0.000 0.834 966 A CB 0.115 19.255 19.000 0.233 0.000 1.526 966 A HN 1.145 nan 8.150 nan 0.000 0.578 967 Q N -3.798 116.049 119.800 0.079 0.000 0.411 967 Q HA -0.077 4.263 4.340 -0.000 0.000 0.243 967 Q C -1.002 175.019 176.000 0.035 0.000 1.091 967 Q CA 0.326 56.153 55.803 0.040 0.000 0.358 967 Q CB -0.735 28.008 28.738 0.009 0.000 5.431 967 Q HN 1.341 nan 8.270 nan 0.000 0.293 968 M N -0.671 118.948 119.600 0.032 0.000 3.900 968 M HA -0.128 4.352 4.480 -0.000 0.000 0.160 968 M C -0.771 175.561 176.300 0.052 0.000 1.503 968 M CA 1.327 56.656 55.300 0.048 0.000 1.051 968 M CB -2.557 30.070 32.600 0.045 0.000 1.334 968 M HN 0.677 nan 8.290 nan 0.000 0.338 969 T N 1.295 115.893 114.554 0.073 0.000 3.631 969 T HA 0.197 4.547 4.350 -0.000 0.000 0.256 969 T C 0.126 174.934 174.700 0.180 0.000 1.187 969 T CA -0.630 61.516 62.100 0.076 0.000 1.667 969 T CB 0.721 69.599 68.868 0.017 0.000 0.804 969 T HN 0.435 nan 8.240 nan 0.000 0.639 970 E N 2.772 123.141 120.200 0.282 0.000 3.025 970 E HA -0.079 4.271 4.350 -0.000 0.000 0.248 970 E C 0.054 176.789 176.600 0.226 0.000 0.938 970 E CA 0.317 56.854 56.400 0.227 0.000 0.958 970 E CB 0.364 30.171 29.700 0.179 0.000 0.898 970 E HN 0.453 nan 8.360 nan 0.000 0.537 971 D N 1.322 121.802 120.400 0.134 0.000 2.429 971 D HA 0.003 4.643 4.640 -0.000 0.000 0.233 971 D C 0.336 176.714 176.300 0.131 0.000 1.202 971 D CA 0.505 54.575 54.000 0.117 0.000 0.879 971 D CB 0.641 41.490 40.800 0.082 0.000 1.212 971 D HN 0.484 nan 8.370 nan 0.000 0.465 972 A N 1.442 124.345 122.820 0.138 0.000 2.951 972 A HA 0.470 4.789 4.320 -0.000 0.000 0.239 972 A C -0.066 177.645 177.584 0.211 0.000 1.623 972 A CA -0.538 51.618 52.037 0.199 0.000 0.868 972 A CB 0.092 19.189 19.000 0.163 0.000 1.712 972 A HN 0.335 nan 8.150 nan 0.000 0.558 973 V N 1.086 121.207 119.914 0.345 0.000 2.686 973 V HA 0.045 4.165 4.120 -0.000 0.000 0.295 973 V C 1.404 177.637 176.094 0.231 0.000 1.055 973 V CA 0.615 63.086 62.300 0.285 0.000 1.050 973 V CB 1.026 33.055 31.823 0.343 0.000 0.984 973 V HN 0.990 nan 8.190 nan 0.000 0.482 974 D N 3.163 123.683 120.400 0.201 0.000 2.149 974 D HA -0.178 4.462 4.640 -0.000 0.000 0.198 974 D C 1.671 178.047 176.300 0.128 0.000 0.990 974 D CA 1.944 56.030 54.000 0.143 0.000 0.839 974 D CB 0.053 40.931 40.800 0.129 0.000 0.948 974 D HN 0.921 nan 8.370 nan 0.000 0.460 975 A N -1.361 121.549 122.820 0.150 0.000 3.870 975 A HA -0.400 3.919 4.320 -0.000 0.000 0.246 975 A C 1.956 179.622 177.584 0.137 0.000 0.669 975 A CA 2.998 55.111 52.037 0.127 0.000 1.221 975 A CB -2.340 16.711 19.000 0.085 0.000 1.199 975 A HN 0.527 nan 8.150 nan 0.000 0.685 976 E N -0.088 120.163 120.200 0.084 0.000 2.160 976 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 976 E C 1.577 178.168 176.600 -0.016 0.000 0.991 976 E CA 1.598 58.018 56.400 0.033 0.000 0.810 976 E CB -0.721 28.989 29.700 0.017 0.000 0.742 976 E HN 0.911 nan 8.360 nan 0.000 0.466 977 R N -0.892 119.579 120.500 -0.048 0.000 2.935 977 R HA 0.492 4.832 4.340 -0.000 0.000 0.354 977 R C -0.013 176.176 176.300 -0.185 0.000 1.206 977 R CA -0.110 55.907 56.100 -0.139 0.000 1.082 977 R CB -0.052 30.116 30.300 -0.219 0.000 1.431 977 R HN 0.272 nan 8.270 nan 0.000 0.582 978 L N 1.411 122.615 121.223 -0.030 0.000 2.574 978 L HA 0.314 4.653 4.340 -0.000 0.000 0.258 978 L C -0.793 176.122 176.870 0.075 0.000 1.520 978 L CA -0.171 54.677 54.840 0.013 0.000 0.775 978 L CB 0.585 42.657 42.059 0.021 0.000 1.028 978 L HN 0.095 nan 8.230 nan 0.000 0.516 979 K N 1.673 122.139 120.400 0.110 0.000 2.901 979 K HA 0.292 4.612 4.320 -0.000 0.000 0.199 979 K C 0.383 177.060 176.600 0.129 0.000 1.140 979 K CA -0.265 56.096 56.287 0.124 0.000 1.030 979 K CB 0.207 32.691 32.500 -0.026 0.000 1.437 979 K HN 0.500 nan 8.250 nan 0.000 0.552 980 H N -1.209 117.892 119.070 0.052 0.000 3.950 980 H HA 0.121 4.677 4.556 -0.000 0.000 0.262 980 H C 1.098 176.443 175.328 0.028 0.000 1.115 980 H CA -0.274 55.792 56.048 0.030 0.000 1.171 980 H CB 0.103 29.869 29.762 0.007 0.000 1.477 980 H HN 0.153 nan 8.280 nan 0.000 0.729 981 L N 1.664 122.639 121.223 -0.413 0.000 2.362 981 L HA 0.015 4.355 4.340 -0.000 0.000 0.219 981 L C 0.674 177.503 176.870 -0.069 0.000 1.134 981 L CA 0.471 55.155 54.840 -0.260 0.000 0.807 981 L CB -0.091 41.724 42.059 -0.406 0.000 0.927 981 L HN 0.184 nan 8.230 nan 0.000 0.447 982 I N 1.389 121.958 120.570 -0.003 0.000 2.330 982 I HA 0.039 4.209 4.170 -0.000 0.000 0.280 982 I C 0.192 176.351 176.117 0.070 0.000 1.069 982 I CA 0.191 61.528 61.300 0.061 0.000 1.873 982 I CB -1.009 37.067 38.000 0.127 0.000 1.476 982 I HN -0.180 nan 8.210 nan 0.000 0.813 983 V N 2.899 122.850 119.914 0.063 0.000 2.498 983 V HA 0.158 4.278 4.120 -0.000 0.000 0.279 983 V C 0.935 177.066 176.094 0.062 0.000 1.048 983 V CA -0.425 61.917 62.300 0.069 0.000 0.967 983 V CB 1.383 33.252 31.823 0.077 0.000 0.988 983 V HN 0.526 nan 8.190 nan 0.000 0.473 984 T N 7.954 122.543 114.554 0.058 0.000 2.751 984 T HA 0.187 4.537 4.350 -0.000 0.000 0.290 984 T C -2.275 172.455 174.700 0.050 0.000 0.919 984 T CA -0.547 61.585 62.100 0.053 0.000 1.136 984 T CB 0.387 69.284 68.868 0.049 0.000 0.875 984 T HN 0.491 nan 8.240 nan 0.000 0.532 985 P HA 0.214 nan 4.420 nan 0.000 0.264 985 P C -0.490 176.834 177.300 0.040 0.000 1.193 985 P CA -0.042 63.086 63.100 0.046 0.000 0.763 985 P CB 0.475 32.207 31.700 0.053 0.000 0.810 986 S N 1.239 116.955 115.700 0.027 0.000 2.587 986 S HA 0.843 5.313 4.470 -0.000 0.000 0.269 986 S C -0.201 174.400 174.600 0.001 0.000 1.154 986 S CA -0.096 58.121 58.200 0.028 0.000 0.824 986 S CB 1.563 64.785 63.200 0.037 0.000 1.118 986 S HN 0.861 nan 8.310 nan 0.000 0.462 987 G N -0.124 108.682 108.800 0.009 0.000 2.341 987 G HA2 0.046 4.005 3.960 -0.000 0.000 0.196 987 G HA3 0.046 4.005 3.960 -0.000 0.000 0.196 987 G C 0.270 175.120 174.900 -0.083 0.000 1.231 987 G CA -0.115 44.971 45.100 -0.023 0.000 1.155 987 G HN 1.443 nan 8.290 nan 0.000 0.529 988 C N -0.319 118.827 119.300 -0.258 0.000 1.822 988 C HA 0.716 5.176 4.460 -0.000 0.000 0.085 988 C C 2.805 176.989 174.990 -1.342 0.000 2.775 988 C CA 1.370 60.004 59.018 -0.640 0.000 1.806 988 C CB -0.130 27.139 27.740 -0.785 0.000 2.480 988 C HN 1.435 nan 8.230 nan 0.000 0.258 989 G N 0.124 108.088 108.800 -1.394 0.000 2.447 989 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.211 989 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.211 989 G C 1.394 176.014 174.900 -0.467 0.000 1.184 989 G CA 0.874 45.288 45.100 -1.142 0.000 0.813 989 G HN 0.859 nan 8.290 nan 0.000 0.540 990 E N 0.138 120.170 120.200 -0.279 0.000 2.170 990 E HA -0.008 4.342 4.350 -0.000 0.000 0.191 990 E C 2.211 178.720 176.600 -0.151 0.000 0.981 990 E CA 0.444 56.784 56.400 -0.100 0.000 0.830 990 E CB -0.350 29.371 29.700 0.036 0.000 0.775 990 E HN 0.438 nan 8.360 nan 0.000 0.470 991 Q N 0.731 120.403 119.800 -0.213 0.000 2.170 991 Q HA -0.148 4.192 4.340 -0.000 0.000 0.203 991 Q C 1.854 177.771 176.000 -0.139 0.000 0.976 991 Q CA 1.413 57.086 55.803 -0.218 0.000 0.858 991 Q CB -0.203 28.444 28.738 -0.151 0.000 0.907 991 Q HN 0.224 nan 8.270 nan 0.000 0.433 992 N N 0.179 118.786 118.700 -0.155 0.000 2.270 992 N HA -0.101 4.639 4.740 -0.000 0.000 0.181 992 N C 1.524 177.027 175.510 -0.010 0.000 1.016 992 N CA 1.051 54.053 53.050 -0.080 0.000 0.870 992 N CB 0.125 38.545 38.487 -0.111 0.000 0.979 992 N HN 0.098 nan 8.380 nan 0.000 0.431 993 M N 0.153 119.753 119.600 -0.000 0.000 2.156 993 M HA 0.041 4.521 4.480 -0.000 0.000 0.264 993 M C 1.935 178.305 176.300 0.117 0.000 1.067 993 M CA 0.813 56.175 55.300 0.103 0.000 1.131 993 M CB -0.797 31.904 32.600 0.168 0.000 1.368 993 M HN 0.184 nan 8.290 nan 0.000 0.416 994 I N -0.425 120.168 120.570 0.039 0.000 2.454 994 I HA -0.171 3.999 4.170 -0.000 0.000 0.254 994 I C 2.326 178.475 176.117 0.053 0.000 1.156 994 I CA 1.256 62.573 61.300 0.028 0.000 1.433 994 I CB -0.862 37.092 38.000 -0.076 0.000 1.082 994 I HN 0.318 nan 8.210 nan 0.000 0.432 995 G N 0.268 109.091 108.800 0.039 0.000 2.683 995 G HA2 0.010 3.970 3.960 -0.000 0.000 0.213 995 G HA3 0.010 3.970 3.960 -0.000 0.000 0.213 995 G C 1.676 176.620 174.900 0.073 0.000 1.142 995 G CA 0.804 45.935 45.100 0.052 0.000 0.793 995 G HN 0.340 nan 8.290 nan 0.000 0.534 996 M N -0.205 119.447 119.600 0.086 0.000 2.510 996 M HA 0.254 4.734 4.480 -0.000 0.000 0.256 996 M C 2.493 178.871 176.300 0.129 0.000 1.132 996 M CA 1.793 57.150 55.300 0.095 0.000 1.105 996 M CB -1.302 31.352 32.600 0.091 0.000 1.375 996 M HN 0.089 nan 8.290 nan 0.000 0.477 997 T N 1.869 116.525 114.554 0.170 0.000 2.652 997 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 997 T C -0.203 174.649 174.700 0.252 0.000 1.039 997 T CA 2.088 64.341 62.100 0.254 0.000 1.153 997 T CB -1.061 67.995 68.868 0.313 0.000 0.863 997 T HN 0.624 nan 8.240 nan 0.000 0.428 998 P HA -0.075 nan 4.420 nan 0.000 0.215 998 P C 1.461 178.773 177.300 0.019 0.000 1.153 998 P CA 1.423 64.574 63.100 0.086 0.000 0.853 998 P CB -0.354 31.385 31.700 0.066 0.000 0.788 999 T N 0.219 114.801 114.554 0.047 0.000 2.777 999 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 999 T C 2.056 176.785 174.700 0.047 0.000 1.040 999 T CA 1.231 63.351 62.100 0.033 0.000 1.141 999 T CB -0.980 67.921 68.868 0.055 0.000 0.868 999 T HN -0.117 nan 8.240 nan 0.000 0.444 1000 V N 1.265 121.232 119.914 0.088 0.000 2.261 1000 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 1000 V C 2.350 178.506 176.094 0.103 0.000 1.047 1000 V CA 1.319 63.682 62.300 0.105 0.000 1.015 1000 V CB -0.526 31.385 31.823 0.147 0.000 0.642 1000 V HN 0.357 nan 8.190 nan 0.000 0.446 1001 I N 0.378 121.009 120.570 0.103 0.000 2.614 1001 I HA -0.078 4.092 4.170 -0.000 0.000 0.258 1001 I C 2.249 178.326 176.117 -0.065 0.000 1.189 1001 I CA 1.297 62.590 61.300 -0.011 0.000 1.462 1001 I CB -0.572 37.387 38.000 -0.069 0.000 1.092 1001 I HN 0.175 nan 8.210 nan 0.000 0.442 1002 A N -0.463 122.272 122.820 -0.141 0.000 1.873 1002 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 1002 A C 2.341 179.827 177.584 -0.162 0.000 1.186 1002 A CA 1.960 53.825 52.037 -0.287 0.000 0.616 1002 A CB -1.121 17.693 19.000 -0.311 0.000 0.823 1002 A HN 0.247 nan 8.150 nan 0.000 0.442 1003 V N -0.251 119.669 119.914 0.010 0.000 2.343 1003 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 1003 V C 2.480 178.676 176.094 0.171 0.000 1.051 1003 V CA 2.468 64.885 62.300 0.195 0.000 1.036 1003 V CB -1.095 30.868 31.823 0.234 0.000 0.654 1003 V HN 0.861 nan 8.190 nan 0.000 0.451 1004 H N -1.224 117.872 119.070 0.044 0.000 2.421 1004 H HA -0.230 4.326 4.556 -0.000 0.000 0.298 1004 H C 2.036 177.384 175.328 0.034 0.000 1.087 1004 H CA 2.084 58.152 56.048 0.033 0.000 1.330 1004 H CB -0.148 29.614 29.762 -0.000 0.000 1.388 1004 H HN 0.529 nan 8.280 nan 0.000 0.526 1005 Y N 0.061 120.297 120.300 -0.106 0.000 2.269 1005 Y HA 0.010 4.560 4.550 -0.000 0.000 0.294 1005 Y C 1.961 177.724 175.900 -0.228 0.000 1.120 1005 Y CA 1.107 59.118 58.100 -0.148 0.000 1.159 1005 Y CB -0.008 38.381 38.460 -0.118 0.000 1.024 1005 Y HN 0.184 nan 8.280 nan 0.000 0.532 1006 L N -0.242 120.828 121.223 -0.256 0.000 2.291 1006 L HA -0.150 4.190 4.340 -0.000 0.000 0.214 1006 L C 1.620 178.330 176.870 -0.266 0.000 1.120 1006 L CA 0.979 55.481 54.840 -0.563 0.000 0.799 1006 L CB -0.407 40.805 42.059 -1.412 0.000 0.925 1006 L HN 0.172 nan 8.230 nan 0.000 0.446 1007 D N -0.049 120.357 120.400 0.010 0.000 2.123 1007 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 1007 D C 2.065 178.323 176.300 -0.069 0.000 0.976 1007 D CA 0.971 55.036 54.000 0.109 0.000 0.831 1007 D CB 0.057 40.900 40.800 0.072 0.000 0.974 1007 D HN 0.206 nan 8.370 nan 0.000 0.469 1008 E N -0.234 119.832 120.200 -0.222 0.000 2.435 1008 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 1008 E C 1.513 177.972 176.600 -0.236 0.000 1.029 1008 E CA 0.616 56.874 56.400 -0.237 0.000 0.865 1008 E CB 0.105 29.616 29.700 -0.314 0.000 0.833 1008 E HN 0.403 nan 8.360 nan 0.000 0.510 1009 T N -1.157 113.226 114.554 -0.285 0.000 3.044 1009 T HA -0.009 4.341 4.350 -0.000 0.000 0.260 1009 T C 0.565 175.182 174.700 -0.139 0.000 1.019 1009 T CA -0.030 61.918 62.100 -0.253 0.000 0.921 1009 T CB 0.059 68.686 68.868 -0.400 0.000 1.053 1009 T HN 0.089 nan 8.240 nan 0.000 0.533 1010 E N 1.675 121.827 120.200 -0.079 0.000 2.202 1010 E HA -0.335 4.015 4.350 -0.000 0.000 0.214 1010 E C -0.190 176.417 176.600 0.011 0.000 1.303 1010 E CA 0.843 57.260 56.400 0.028 0.000 0.714 1010 E CB -2.420 27.302 29.700 0.037 0.000 1.130 1010 E HN 0.788 nan 8.360 nan 0.000 0.356 1011 Q N -1.214 118.523 119.800 -0.106 0.000 2.222 1011 Q HA 0.120 4.460 4.340 -0.000 0.000 0.206 1011 Q C 0.720 176.685 176.000 -0.058 0.000 0.877 1011 Q CA -0.001 55.750 55.803 -0.086 0.000 0.958 1011 Q CB -0.138 28.523 28.738 -0.128 0.000 1.075 1011 Q HN 0.506 nan 8.270 nan 0.000 0.483 1012 W N 1.303 122.622 121.300 0.032 0.000 2.525 1012 W HA -0.075 4.585 4.660 -0.000 0.000 0.259 1012 W C 1.586 178.175 176.519 0.117 0.000 1.253 1012 W CA 0.585 57.981 57.345 0.085 0.000 1.262 1012 W CB 0.390 29.869 29.460 0.032 0.000 1.122 1012 W HN 0.293 nan 8.180 nan 0.000 0.607 1013 E N 0.317 120.675 120.200 0.263 0.000 2.046 1013 E HA -0.161 4.188 4.350 -0.000 0.000 0.190 1013 E C 1.963 178.649 176.600 0.144 0.000 0.982 1013 E CA 0.862 57.367 56.400 0.175 0.000 0.800 1013 E CB -0.160 29.609 29.700 0.115 0.000 0.756 1013 E HN 0.091 nan 8.360 nan 0.000 0.449 1014 K N 0.073 120.551 120.400 0.129 0.000 2.365 1014 K HA -0.006 4.314 4.320 -0.000 0.000 0.197 1014 K C 1.589 178.260 176.600 0.117 0.000 1.042 1014 K CA 0.453 56.797 56.287 0.096 0.000 0.987 1014 K CB -0.041 32.503 32.500 0.074 0.000 0.779 1014 K HN 0.133 nan 8.250 nan 0.000 0.484 1015 F N 1.032 120.989 119.950 0.011 0.000 2.317 1015 F HA 0.244 4.771 4.527 -0.000 0.000 0.290 1015 F C 0.401 176.250 175.800 0.082 0.000 1.075 1015 F CA 1.024 59.020 58.000 -0.007 0.000 1.380 1015 F CB 0.782 39.697 39.000 -0.143 0.000 1.093 1015 F HN 0.109 nan 8.300 nan 0.000 0.524 1016 G N 0.932 109.922 108.800 0.317 0.000 2.951 1016 G HA2 -0.058 3.901 3.960 -0.000 0.000 0.508 1016 G HA3 -0.058 3.901 3.960 -0.000 0.000 0.508 1016 G C 0.123 175.265 174.900 0.404 0.000 1.203 1016 G CA -0.226 45.012 45.100 0.230 0.000 1.209 1016 G HN 0.286 nan 8.290 nan 0.000 0.552 1017 L N 0.942 122.320 121.223 0.259 0.000 2.046 1017 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 1017 L C 2.674 179.571 176.870 0.045 0.000 1.077 1017 L CA 2.132 57.063 54.840 0.152 0.000 0.747 1017 L CB -0.198 41.904 42.059 0.072 0.000 0.896 1017 L HN 0.772 nan 8.230 nan 0.000 0.432 1018 E N 0.020 120.254 120.200 0.056 0.000 2.516 1018 E HA -0.129 4.221 4.350 -0.000 0.000 0.199 1018 E C 1.400 178.028 176.600 0.047 0.000 1.069 1018 E CA 0.620 57.033 56.400 0.021 0.000 0.876 1018 E CB -0.277 29.433 29.700 0.016 0.000 0.843 1018 E HN 0.389 nan 8.360 nan 0.000 0.530 1019 K N 0.173 120.653 120.400 0.133 0.000 2.334 1019 K HA 0.172 4.491 4.320 -0.000 0.000 0.195 1019 K C 1.937 178.662 176.600 0.207 0.000 1.045 1019 K CA -0.005 56.411 56.287 0.216 0.000 1.004 1019 K CB 0.183 32.898 32.500 0.359 0.000 0.837 1019 K HN 0.020 nan 8.250 nan 0.000 0.510 1020 R N 1.468 121.950 120.500 -0.029 0.000 2.096 1020 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 1020 R C 2.252 178.430 176.300 -0.204 0.000 1.127 1020 R CA 1.526 57.369 56.100 -0.429 0.000 0.968 1020 R CB 0.078 29.611 30.300 -1.278 0.000 0.861 1020 R HN 0.002 nan 8.270 nan 0.000 0.440 1021 Q N -0.051 119.660 119.800 -0.148 0.000 2.135 1021 Q HA -0.079 4.261 4.340 -0.000 0.000 0.204 1021 Q C 1.719 177.700 176.000 -0.032 0.000 0.981 1021 Q CA 2.099 57.847 55.803 -0.091 0.000 0.856 1021 Q CB -0.626 28.069 28.738 -0.071 0.000 0.902 1021 Q HN 0.470 nan 8.270 nan 0.000 0.425 1022 G N -0.807 107.998 108.800 0.008 0.000 2.534 1022 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.217 1022 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.217 1022 G C 1.290 176.223 174.900 0.056 0.000 1.128 1022 G CA 0.654 45.777 45.100 0.038 0.000 0.784 1022 G HN 0.485 nan 8.290 nan 0.000 0.542 1023 A N 0.485 123.345 122.820 0.067 0.000 1.911 1023 A HA 0.301 4.621 4.320 -0.000 0.000 0.212 1023 A C 2.235 179.843 177.584 0.041 0.000 1.189 1023 A CA 0.460 52.549 52.037 0.087 0.000 0.639 1023 A CB -0.250 18.852 19.000 0.170 0.000 0.839 1023 A HN 0.227 nan 8.150 nan 0.000 0.449 1024 L N 0.444 121.666 121.223 -0.002 0.000 2.079 1024 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 1024 L C 2.302 179.164 176.870 -0.013 0.000 1.081 1024 L CA 1.967 56.793 54.840 -0.024 0.000 0.752 1024 L CB -1.433 40.589 42.059 -0.061 0.000 0.896 1024 L HN 0.552 nan 8.230 nan 0.000 0.433 1025 E N -0.366 119.832 120.200 -0.003 0.000 2.106 1025 E HA -0.174 4.175 4.350 -0.000 0.000 0.192 1025 E C 2.354 178.967 176.600 0.022 0.000 0.984 1025 E CA 0.678 57.082 56.400 0.007 0.000 0.806 1025 E CB -0.019 29.687 29.700 0.009 0.000 0.750 1025 E HN 0.450 nan 8.360 nan 0.000 0.458 1026 L N 0.633 121.874 121.223 0.031 0.000 2.156 1026 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 1026 L C 2.347 179.241 176.870 0.040 0.000 1.095 1026 L CA 0.658 55.522 54.840 0.041 0.000 0.770 1026 L CB -0.250 41.840 42.059 0.051 0.000 0.914 1026 L HN 0.160 nan 8.230 nan 0.000 0.439 1027 I N 0.001 120.588 120.570 0.028 0.000 2.233 1027 I HA -0.275 3.894 4.170 -0.000 0.000 0.243 1027 I C 2.661 178.783 176.117 0.009 0.000 1.093 1027 I CA 1.254 62.563 61.300 0.014 0.000 1.380 1027 I CB -0.268 37.730 38.000 -0.004 0.000 1.067 1027 I HN 0.223 nan 8.210 nan 0.000 0.413 1028 K N 1.548 121.949 120.400 0.002 0.000 2.148 1028 K HA -0.220 4.100 4.320 -0.000 0.000 0.204 1028 K C 2.194 178.850 176.600 0.094 0.000 1.050 1028 K CA 1.372 57.672 56.287 0.021 0.000 0.942 1028 K CB 0.042 32.537 32.500 -0.008 0.000 0.724 1028 K HN 0.107 nan 8.250 nan 0.000 0.446 1029 K N -0.361 120.079 120.400 0.066 0.000 2.097 1029 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 1029 K C 1.958 178.606 176.600 0.080 0.000 1.050 1029 K CA 1.349 57.678 56.287 0.070 0.000 0.938 1029 K CB -0.165 32.367 32.500 0.052 0.000 0.718 1029 K HN 0.301 nan 8.250 nan 0.000 0.442 1030 G N -0.164 108.683 108.800 0.078 0.000 2.422 1030 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 1030 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 1030 G C 1.335 176.295 174.900 0.099 0.000 1.140 1030 G CA 0.687 45.834 45.100 0.080 0.000 0.775 1030 G HN 0.439 nan 8.290 nan 0.000 0.545 1031 Y N 1.921 122.195 120.300 -0.045 0.000 2.200 1031 Y HA -0.108 4.442 4.550 -0.000 0.000 0.290 1031 Y C 2.916 178.842 175.900 0.044 0.000 1.137 1031 Y CA 2.175 60.228 58.100 -0.078 0.000 1.163 1031 Y CB -0.335 37.993 38.460 -0.220 0.000 0.988 1031 Y HN 0.164 nan 8.280 nan 0.000 0.518 1032 T N 0.622 115.191 114.554 0.026 0.000 2.777 1032 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 1032 T C 1.660 176.337 174.700 -0.038 0.000 1.040 1032 T CA 1.789 63.863 62.100 -0.044 0.000 1.141 1032 T CB -0.234 68.673 68.868 0.065 0.000 0.868 1032 T HN 0.478 nan 8.240 nan 0.000 0.444 1033 Q N 0.397 120.219 119.800 0.036 0.000 2.224 1033 Q HA -0.097 4.243 4.340 -0.000 0.000 0.203 1033 Q C 2.325 178.441 176.000 0.194 0.000 0.970 1033 Q CA 0.913 56.779 55.803 0.105 0.000 0.865 1033 Q CB -0.132 28.679 28.738 0.122 0.000 0.922 1033 Q HN 0.354 nan 8.270 nan 0.000 0.445 1034 Q N 0.722 120.592 119.800 0.117 0.000 2.311 1034 Q HA -0.014 4.325 4.340 -0.000 0.000 0.203 1034 Q C 1.586 177.653 176.000 0.111 0.000 0.954 1034 Q CA 0.802 56.703 55.803 0.164 0.000 0.885 1034 Q CB 0.112 28.961 28.738 0.185 0.000 0.963 1034 Q HN 0.383 nan 8.270 nan 0.000 0.471 1035 L N -0.606 120.593 121.223 -0.039 0.000 2.291 1035 L HA 0.042 4.382 4.340 -0.000 0.000 0.214 1035 L C 1.861 178.686 176.870 -0.075 0.000 1.120 1035 L CA 0.733 55.515 54.840 -0.097 0.000 0.799 1035 L CB -0.467 41.480 42.059 -0.185 0.000 0.925 1035 L HN 0.184 nan 8.230 nan 0.000 0.446 1036 A N -0.987 121.780 122.820 -0.089 0.000 2.235 1036 A HA 0.030 4.350 4.320 -0.000 0.000 0.208 1036 A C 1.067 178.295 177.584 -0.593 0.000 1.172 1036 A CA 0.662 52.510 52.037 -0.316 0.000 0.786 1036 A CB -0.493 18.270 19.000 -0.394 0.000 0.804 1036 A HN 0.419 nan 8.150 nan 0.000 0.479 1037 F N -1.195 118.706 119.950 -0.080 0.000 2.817 1037 F HA 0.299 4.826 4.527 -0.000 0.000 0.319 1037 F C 0.763 176.505 175.800 -0.097 0.000 1.136 1037 F CA -0.515 57.434 58.000 -0.084 0.000 1.177 1037 F CB 0.513 39.454 39.000 -0.098 0.000 1.088 1037 F HN 0.048 nan 8.300 nan 0.000 0.520 1038 R N 2.383 122.885 120.500 0.004 0.000 2.308 1038 R HA 0.232 4.571 4.340 -0.000 0.000 0.325 1038 R C 0.061 176.315 176.300 -0.078 0.000 1.161 1038 R CA -0.087 55.979 56.100 -0.057 0.000 1.022 1038 R CB 0.257 30.512 30.300 -0.074 0.000 1.091 1038 R HN 0.350 nan 8.270 nan 0.000 0.497 1039 Q N 3.943 123.687 119.800 -0.093 0.000 2.584 1039 Q HA 0.033 4.373 4.340 -0.000 0.000 0.235 1039 Q C -1.222 174.707 176.000 -0.117 0.000 1.079 1039 Q CA -1.344 54.400 55.803 -0.097 0.000 0.977 1039 Q CB 0.393 29.064 28.738 -0.112 0.000 1.293 1039 Q HN 0.486 nan 8.270 nan 0.000 0.553 1040 P HA -0.185 nan 4.420 nan 0.000 0.219 1040 P C 0.555 177.795 177.300 -0.100 0.000 1.144 1040 P CA 1.052 64.112 63.100 -0.066 0.000 0.806 1040 P CB 0.085 31.767 31.700 -0.030 0.000 0.771 1047 F N 1.469 121.478 119.950 0.099 0.000 2.412 1047 F HA 0.363 4.889 4.527 -0.000 0.000 0.348 1047 F C 1.866 177.759 175.800 0.155 0.000 1.102 1047 F CA 0.760 58.867 58.000 0.177 0.000 1.196 1047 F CB 1.757 40.829 39.000 0.119 0.000 1.144 1047 F HN 0.409 nan 8.300 nan 0.000 0.541 1048 V N 0.611 120.737 119.914 0.352 0.000 2.594 1048 V HA -0.230 3.890 4.120 -0.000 0.000 0.253 1048 V C 1.658 177.844 176.094 0.153 0.000 1.069 1048 V CA 1.628 64.040 62.300 0.186 0.000 1.082 1048 V CB -0.883 30.998 31.823 0.096 0.000 0.680 1048 V HN 0.778 nan 8.190 nan 0.000 0.469 1049 K N 0.420 120.938 120.400 0.196 0.000 2.365 1049 K HA 0.049 4.369 4.320 -0.000 0.000 0.199 1049 K C 1.406 178.064 176.600 0.097 0.000 1.045 1049 K CA 0.379 56.734 56.287 0.112 0.000 0.962 1049 K CB -0.037 32.506 32.500 0.071 0.000 0.759 1049 K HN 0.546 nan 8.250 nan 0.000 0.469 1050 R N 0.770 121.357 120.500 0.145 0.000 2.573 1050 R HA 0.396 4.736 4.340 -0.000 0.000 0.272 1050 R C -0.831 175.529 176.300 0.099 0.000 1.009 1050 R CA -0.418 55.753 56.100 0.118 0.000 1.059 1050 R CB 0.976 31.374 30.300 0.162 0.000 1.112 1050 R HN 0.016 nan 8.270 nan 0.000 0.517 1051 A N 4.282 127.155 122.820 0.087 0.000 2.462 1051 A HA 0.281 4.601 4.320 -0.000 0.000 0.243 1051 A C -2.026 175.617 177.584 0.099 0.000 1.076 1051 A CA -1.241 50.850 52.037 0.091 0.000 0.773 1051 A CB -0.201 18.856 19.000 0.095 0.000 1.010 1051 A HN 0.595 nan 8.150 nan 0.000 0.493 1052 P HA 0.035 nan 4.420 nan 0.000 0.265 1052 P C -0.179 177.224 177.300 0.171 0.000 1.193 1052 P CA 0.268 63.393 63.100 0.041 0.000 0.765 1052 P CB 0.723 32.372 31.700 -0.085 0.000 0.823 1053 S N 1.420 117.212 115.700 0.153 0.000 2.508 1053 S HA 0.275 4.744 4.470 -0.000 0.000 0.284 1053 S C 1.334 176.136 174.600 0.336 0.000 1.192 1053 S CA -0.410 57.930 58.200 0.234 0.000 1.070 1053 S CB 0.384 63.710 63.200 0.210 0.000 1.004 1053 S HN 0.394 nan 8.310 nan 0.000 0.493 1054 T N 3.875 118.650 114.554 0.369 0.000 2.812 1054 T HA -0.058 4.292 4.350 -0.000 0.000 0.264 1054 T C 1.217 176.121 174.700 0.340 0.000 1.042 1054 T CA 1.120 63.454 62.100 0.391 0.000 1.140 1054 T CB -0.351 68.691 68.868 0.290 0.000 0.870 1054 T HN 0.853 nan 8.240 nan 0.000 0.445 1055 W N 1.489 122.869 121.300 0.133 0.000 2.379 1055 W HA 0.015 4.675 4.660 -0.000 0.000 0.307 1055 W C 1.908 178.516 176.519 0.148 0.000 1.200 1055 W CA 0.385 57.781 57.345 0.086 0.000 1.297 1055 W CB -0.554 28.864 29.460 -0.070 0.000 1.140 1055 W HN 0.099 nan 8.180 nan 0.000 0.507 1056 L N 0.798 122.261 121.223 0.400 0.000 2.012 1056 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 1056 L C 2.313 179.190 176.870 0.012 0.000 1.073 1056 L CA 2.829 57.788 54.840 0.199 0.000 0.748 1056 L CB -1.382 40.834 42.059 0.263 0.000 0.891 1056 L HN -0.031 nan 8.230 nan 0.000 0.431 1057 T N -0.238 114.350 114.554 0.057 0.000 2.788 1057 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 1057 T C 1.864 176.546 174.700 -0.031 0.000 1.044 1057 T CA 1.292 63.391 62.100 -0.000 0.000 1.139 1057 T CB -0.494 68.429 68.868 0.093 0.000 0.867 1057 T HN 0.529 nan 8.240 nan 0.000 0.454 1058 A N 0.172 122.994 122.820 0.003 0.000 1.969 1058 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 1058 A C 2.068 179.575 177.584 -0.128 0.000 1.169 1058 A CA 1.145 53.153 52.037 -0.047 0.000 0.635 1058 A CB -0.811 18.208 19.000 0.032 0.000 0.810 1058 A HN 0.581 nan 8.150 nan 0.000 0.445 1059 Y N 0.358 120.458 120.300 -0.333 0.000 2.314 1059 Y HA -0.082 4.468 4.550 -0.000 0.000 0.293 1059 Y C 2.245 177.965 175.900 -0.299 0.000 1.129 1059 Y CA 1.406 59.268 58.100 -0.397 0.000 1.201 1059 Y CB -0.173 37.806 38.460 -0.801 0.000 0.999 1059 Y HN 0.059 nan 8.280 nan 0.000 0.541 1060 V N -0.823 118.927 119.914 -0.274 0.000 2.332 1060 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 1060 V C 2.306 178.150 176.094 -0.417 0.000 1.055 1060 V CA 1.865 63.938 62.300 -0.378 0.000 1.038 1060 V CB -0.915 30.633 31.823 -0.459 0.000 0.651 1060 V HN 0.328 nan 8.190 nan 0.000 0.450 1061 V N -0.043 119.678 119.914 -0.323 0.000 2.407 1061 V HA -0.291 3.828 4.120 -0.000 0.000 0.248 1061 V C 2.395 178.396 176.094 -0.155 0.000 1.055 1061 V CA 2.327 64.504 62.300 -0.205 0.000 1.049 1061 V CB -0.731 30.999 31.823 -0.154 0.000 0.662 1061 V HN 0.588 nan 8.190 nan 0.000 0.455 1062 K N 0.149 120.378 120.400 -0.284 0.000 2.026 1062 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 1062 K C 2.061 178.537 176.600 -0.205 0.000 1.048 1062 K CA 1.847 57.964 56.287 -0.284 0.000 0.929 1062 K CB -0.173 32.047 32.500 -0.467 0.000 0.713 1062 K HN 0.333 nan 8.250 nan 0.000 0.439 1063 V N 0.839 120.525 119.914 -0.381 0.000 2.323 1063 V HA -0.189 3.930 4.120 -0.000 0.000 0.244 1063 V C 2.155 178.318 176.094 0.115 0.000 1.041 1063 V CA 1.521 63.720 62.300 -0.167 0.000 1.025 1063 V CB -0.599 31.053 31.823 -0.285 0.000 0.656 1063 V HN 0.210 nan 8.190 nan 0.000 0.451 1064 F N 1.160 121.042 119.950 -0.113 0.000 2.102 1064 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 1064 F C 2.732 178.513 175.800 -0.031 0.000 1.105 1064 F CA 1.720 59.702 58.000 -0.030 0.000 1.239 1064 F CB -1.118 37.885 39.000 0.004 0.000 0.991 1064 F HN 0.052 nan 8.300 nan 0.000 0.474 1065 S N 0.028 115.819 115.700 0.151 0.000 2.419 1065 S HA -0.152 4.318 4.470 -0.000 0.000 0.233 1065 S C 2.102 176.724 174.600 0.036 0.000 1.016 1065 S CA 0.877 59.119 58.200 0.069 0.000 0.974 1065 S CB -0.479 62.740 63.200 0.032 0.000 0.786 1065 S HN 0.374 nan 8.310 nan 0.000 0.492 1066 L N 0.541 121.786 121.223 0.036 0.000 2.270 1066 L HA 0.235 4.575 4.340 -0.000 0.000 0.210 1066 L C 1.561 178.421 176.870 -0.017 0.000 1.104 1066 L CA 0.571 55.398 54.840 -0.021 0.000 0.804 1066 L CB -0.201 41.838 42.059 -0.034 0.000 0.937 1066 L HN 0.276 nan 8.230 nan 0.000 0.450 1067 A N -0.852 121.962 122.820 -0.009 0.000 2.684 1067 A HA 0.256 4.576 4.320 -0.000 0.000 0.288 1067 A C 1.490 179.025 177.584 -0.082 0.000 1.337 1067 A CA 0.398 52.408 52.037 -0.044 0.000 0.946 1067 A CB -0.566 18.379 19.000 -0.092 0.000 1.093 1067 A HN 0.309 nan 8.150 nan 0.000 0.543 1068 V N -3.011 116.879 119.914 -0.040 0.000 2.788 1068 V HA -0.096 4.024 4.120 -0.000 0.000 0.251 1068 V C 1.267 177.333 176.094 -0.047 0.000 1.068 1068 V CA 2.027 64.298 62.300 -0.049 0.000 1.090 1068 V CB -0.970 30.846 31.823 -0.011 0.000 0.710 1068 V HN 0.591 nan 8.190 nan 0.000 0.467 1069 N N 0.237 118.925 118.700 -0.019 0.000 2.353 1069 N HA 0.294 5.034 4.740 -0.000 0.000 0.185 1069 N C 1.572 177.065 175.510 -0.027 0.000 1.098 1069 N CA 0.386 53.428 53.050 -0.014 0.000 0.872 1069 N CB 0.143 38.639 38.487 0.014 0.000 0.970 1069 N HN 0.427 nan 8.380 nan 0.000 0.467 1070 L N 0.526 121.726 121.223 -0.037 0.000 2.145 1070 L HA 0.265 4.604 4.340 -0.000 0.000 0.201 1070 L C 1.087 177.904 176.870 -0.089 0.000 1.075 1070 L CA 0.605 55.417 54.840 -0.047 0.000 0.773 1070 L CB -0.157 41.886 42.059 -0.026 0.000 0.936 1070 L HN 0.161 nan 8.230 nan 0.000 0.451 1071 I N -3.822 116.666 120.570 -0.137 0.000 3.516 1071 I HA 0.660 4.830 4.170 -0.000 0.000 0.302 1071 I C -0.417 175.567 176.117 -0.221 0.000 1.143 1071 I CA -1.216 59.972 61.300 -0.187 0.000 1.003 1071 I CB 1.789 39.636 38.000 -0.255 0.000 1.347 1071 I HN -0.243 nan 8.210 nan 0.000 0.486 1072 A N 3.003 125.664 122.820 -0.266 0.000 2.650 1072 A HA 0.519 4.839 4.320 -0.000 0.000 0.320 1072 A C -0.201 177.157 177.584 -0.376 0.000 1.466 1072 A CA -0.358 51.538 52.037 -0.236 0.000 1.099 1072 A CB -0.780 18.129 19.000 -0.151 0.000 1.136 1072 A HN 0.438 nan 8.150 nan 0.000 0.532 1073 I N 2.088 122.477 120.570 -0.301 0.000 2.396 1073 I HA 0.083 4.253 4.170 -0.000 0.000 0.289 1073 I C 0.321 176.425 176.117 -0.020 0.000 1.056 1073 I CA -0.262 60.891 61.300 -0.244 0.000 1.365 1073 I CB 0.737 38.675 38.000 -0.103 0.000 1.407 1073 I HN 0.535 nan 8.210 nan 0.000 0.509 1074 D N 4.158 124.635 120.400 0.128 0.000 2.390 1074 D HA 0.092 4.732 4.640 -0.000 0.000 0.249 1074 D C 0.987 177.371 176.300 0.139 0.000 1.144 1074 D CA 0.232 54.324 54.000 0.154 0.000 0.880 1074 D CB 1.169 42.106 40.800 0.228 0.000 1.182 1074 D HN 0.421 nan 8.370 nan 0.000 0.451 1075 S N 2.575 118.326 115.700 0.086 0.000 2.406 1075 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 1075 S C 1.708 176.349 174.600 0.069 0.000 1.020 1075 S CA 0.519 58.761 58.200 0.070 0.000 0.965 1075 S CB 0.015 63.242 63.200 0.046 0.000 0.798 1075 S HN 0.554 nan 8.310 nan 0.000 0.488 1076 Q N 0.783 120.624 119.800 0.069 0.000 2.079 1076 Q HA -0.019 4.321 4.340 -0.000 0.000 0.200 1076 Q C 2.424 178.458 176.000 0.055 0.000 0.974 1076 Q CA 1.088 56.925 55.803 0.056 0.000 0.840 1076 Q CB -0.707 28.062 28.738 0.051 0.000 0.898 1076 Q HN 0.457 nan 8.270 nan 0.000 0.430 1077 V N 1.008 120.971 119.914 0.082 0.000 2.323 1077 V HA -0.195 3.925 4.120 -0.000 0.000 0.244 1077 V C 2.306 178.419 176.094 0.032 0.000 1.041 1077 V CA 1.165 63.502 62.300 0.061 0.000 1.025 1077 V CB -0.646 31.252 31.823 0.124 0.000 0.656 1077 V HN 0.190 nan 8.190 nan 0.000 0.451 1078 L N 0.307 121.582 121.223 0.086 0.000 1.994 1078 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 1078 L C 2.366 179.249 176.870 0.022 0.000 1.071 1078 L CA 2.262 57.133 54.840 0.051 0.000 0.745 1078 L CB -0.924 41.206 42.059 0.119 0.000 0.892 1078 L HN 0.370 nan 8.230 nan 0.000 0.431 1079 c N 0.092 118.717 118.600 0.041 0.000 2.432 1079 c HA 0.044 4.613 4.570 -0.000 0.000 0.280 1079 c C 2.740 176.858 174.090 0.047 0.000 1.353 1079 c CA 0.301 56.654 56.329 0.040 0.000 1.766 1079 c CB -2.001 40.534 42.510 0.041 0.000 1.924 1079 c HN 0.764 nan 8.230 nan 0.000 0.509 1080 G N 0.696 109.519 108.800 0.039 0.000 2.422 1080 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.218 1080 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.218 1080 G C 1.831 176.771 174.900 0.067 0.000 1.146 1080 G CA 1.031 46.157 45.100 0.043 0.000 0.769 1080 G HN 0.602 nan 8.290 nan 0.000 0.547 1081 A N -0.034 122.805 122.820 0.032 0.000 1.930 1081 A HA 0.225 4.545 4.320 -0.000 0.000 0.215 1081 A C 2.560 180.244 177.584 0.165 0.000 1.176 1081 A CA 1.455 53.532 52.037 0.067 0.000 0.632 1081 A CB -0.381 18.590 19.000 -0.049 0.000 0.819 1081 A HN 0.220 nan 8.150 nan 0.000 0.445 1082 V N 0.535 120.505 119.914 0.093 0.000 2.343 1082 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 1082 V C 2.513 178.681 176.094 0.123 0.000 1.051 1082 V CA 2.327 64.681 62.300 0.090 0.000 1.036 1082 V CB -0.646 31.204 31.823 0.046 0.000 0.654 1082 V HN 0.688 nan 8.190 nan 0.000 0.451 1083 K N -1.312 119.163 120.400 0.124 0.000 2.209 1083 K HA -0.254 4.066 4.320 -0.000 0.000 0.204 1083 K C 1.996 178.693 176.600 0.162 0.000 1.048 1083 K CA 1.783 58.140 56.287 0.118 0.000 0.940 1083 K CB -0.215 32.346 32.500 0.101 0.000 0.729 1083 K HN 0.602 nan 8.250 nan 0.000 0.451 1084 W N 1.241 122.558 121.300 0.028 0.000 2.407 1084 W HA -0.065 4.595 4.660 -0.000 0.000 0.305 1084 W C 1.385 177.943 176.519 0.064 0.000 1.196 1084 W CA 1.002 58.368 57.345 0.035 0.000 1.311 1084 W CB -0.230 29.245 29.460 0.025 0.000 1.135 1084 W HN -0.062 nan 8.180 nan 0.000 0.514 1085 L N 0.390 121.697 121.223 0.140 0.000 2.191 1085 L HA -0.229 4.110 4.340 -0.000 0.000 0.212 1085 L C 2.230 179.132 176.870 0.053 0.000 1.103 1085 L CA 1.205 56.059 54.840 0.022 0.000 0.769 1085 L CB -0.651 41.532 42.059 0.206 0.000 0.908 1085 L HN 0.086 nan 8.230 nan 0.000 0.438 1086 I N -0.756 119.841 120.570 0.046 0.000 2.339 1086 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 1086 I C 2.080 178.130 176.117 -0.111 0.000 1.096 1086 I CA 1.097 62.404 61.300 0.012 0.000 1.408 1086 I CB -0.064 37.961 38.000 0.042 0.000 1.092 1086 I HN 0.164 nan 8.210 nan 0.000 0.423 1087 L N -0.080 121.073 121.223 -0.116 0.000 2.509 1087 L HA 0.015 4.355 4.340 -0.000 0.000 0.222 1087 L C 2.160 178.907 176.870 -0.205 0.000 1.123 1087 L CA 0.475 55.239 54.840 -0.127 0.000 0.856 1087 L CB -0.191 41.831 42.059 -0.061 0.000 0.985 1087 L HN 0.237 nan 8.230 nan 0.000 0.456 1088 E N -0.032 119.952 120.200 -0.361 0.000 2.329 1088 E HA 0.101 4.451 4.350 -0.000 0.000 0.189 1088 E C 0.635 176.978 176.600 -0.428 0.000 0.997 1088 E CA 0.314 56.437 56.400 -0.463 0.000 1.062 1088 E CB 0.211 29.377 29.700 -0.889 0.000 1.260 1088 E HN 0.045 nan 8.360 nan 0.000 0.490 1089 K N 2.045 122.122 120.400 -0.539 0.000 3.165 1089 K HA 0.216 4.535 4.320 -0.000 0.000 0.259 1089 K C -0.197 176.232 176.600 -0.286 0.000 1.282 1089 K CA 0.009 56.100 56.287 -0.328 0.000 1.259 1089 K CB 0.104 32.435 32.500 -0.282 0.000 1.546 1089 K HN 0.173 nan 8.250 nan 0.000 0.384 1090 Q N 1.102 120.663 119.800 -0.399 0.000 2.269 1090 Q HA 0.209 4.549 4.340 -0.000 0.000 0.263 1090 Q C -1.080 174.668 176.000 -0.421 0.000 0.983 1090 Q CA -0.495 54.928 55.803 -0.635 0.000 0.777 1090 Q CB 1.523 29.807 28.738 -0.756 0.000 1.273 1090 Q HN 0.094 nan 8.270 nan 0.000 0.440 1091 K N 3.608 123.768 120.400 -0.400 0.000 2.219 1091 K HA 0.144 4.464 4.320 -0.000 0.000 0.258 1091 K C -1.820 174.631 176.600 -0.250 0.000 1.008 1091 K CA -1.507 54.614 56.287 -0.276 0.000 0.928 1091 K CB 0.506 32.851 32.500 -0.258 0.000 0.983 1091 K HN 0.390 nan 8.250 nan 0.000 0.484 1092 P HA -0.199 nan 4.420 nan 0.000 0.218 1092 P C 0.300 177.529 177.300 -0.118 0.000 1.146 1092 P CA 1.353 64.376 63.100 -0.128 0.000 0.813 1092 P CB 0.072 31.719 31.700 -0.089 0.000 0.778 1093 D N -2.167 118.151 120.400 -0.137 0.000 2.355 1093 D HA 0.061 4.701 4.640 -0.000 0.000 0.218 1093 D C 1.462 177.686 176.300 -0.126 0.000 1.004 1093 D CA 0.924 54.867 54.000 -0.095 0.000 0.880 1093 D CB -0.845 39.909 40.800 -0.077 0.000 0.911 1093 D HN 0.245 nan 8.370 nan 0.000 0.528 1094 G N -0.663 107.998 108.800 -0.232 0.000 2.179 1094 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 1094 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 1094 G C 0.072 174.744 174.900 -0.379 0.000 0.990 1094 G CA 0.027 44.976 45.100 -0.251 0.000 0.646 1094 G HN 0.355 nan 8.290 nan 0.000 0.517 1095 V N 1.464 121.081 119.914 -0.495 0.000 2.614 1095 V HA 0.565 4.685 4.120 -0.000 0.000 0.291 1095 V C 0.431 176.288 176.094 -0.395 0.000 1.049 1095 V CA -0.112 61.904 62.300 -0.474 0.000 1.038 1095 V CB 0.800 32.211 31.823 -0.687 0.000 0.980 1095 V HN 0.207 nan 8.190 nan 0.000 0.481 1096 F N 3.327 123.202 119.950 -0.126 0.000 2.410 1096 F HA 0.456 4.983 4.527 -0.000 0.000 0.349 1096 F C 0.425 176.197 175.800 -0.046 0.000 1.117 1096 F CA -0.097 57.861 58.000 -0.070 0.000 1.104 1096 F CB 1.152 40.148 39.000 -0.008 0.000 1.122 1096 F HN 0.451 nan 8.300 nan 0.000 0.483 1097 Q N 2.604 122.451 119.800 0.077 0.000 2.282 1097 Q HA 0.288 4.628 4.340 -0.000 0.000 0.260 1097 Q C -1.014 175.040 176.000 0.089 0.000 0.964 1097 Q CA -1.010 54.823 55.803 0.050 0.000 0.880 1097 Q CB 1.710 30.438 28.738 -0.016 0.000 1.286 1097 Q HN 0.610 nan 8.270 nan 0.000 0.445 1098 E N 2.463 122.718 120.200 0.092 0.000 2.194 1098 E HA 0.093 4.443 4.350 -0.000 0.000 0.284 1098 E C -0.844 175.804 176.600 0.081 0.000 1.035 1098 E CA 0.065 56.530 56.400 0.108 0.000 0.836 1098 E CB 0.926 30.683 29.700 0.096 0.000 1.070 1098 E HN 0.577 nan 8.360 nan 0.000 0.401 1099 D N 3.222 123.683 120.400 0.103 0.000 2.422 1099 D HA 0.194 4.834 4.640 -0.000 0.000 0.218 1099 D C -0.363 175.991 176.300 0.089 0.000 1.047 1099 D CA 0.456 54.507 54.000 0.086 0.000 0.885 1099 D CB 0.669 41.526 40.800 0.095 0.000 1.035 1099 D HN 0.362 nan 8.370 nan 0.000 0.502 1100 A N 1.651 124.540 122.820 0.115 0.000 2.943 1100 A HA 0.511 4.831 4.320 -0.000 0.000 0.327 1100 A C -2.706 174.934 177.584 0.094 0.000 1.141 1100 A CA -1.219 50.879 52.037 0.101 0.000 0.773 1100 A CB 0.762 19.835 19.000 0.121 0.000 1.143 1100 A HN -0.195 nan 8.150 nan 0.000 0.463 1101 P HA 0.163 nan 4.420 nan 0.000 0.265 1101 P C 0.634 177.940 177.300 0.010 0.000 1.193 1101 P CA 0.149 63.256 63.100 0.011 0.000 0.765 1101 P CB 0.683 32.367 31.700 -0.027 0.000 0.823 1102 V N 2.182 122.089 119.914 -0.012 0.000 2.872 1102 V HA 0.017 4.136 4.120 -0.000 0.000 0.307 1102 V C 1.560 177.638 176.094 -0.027 0.000 1.072 1102 V CA 0.152 62.458 62.300 0.010 0.000 1.148 1102 V CB -0.363 31.456 31.823 -0.006 0.000 0.954 1102 V HN 0.450 nan 8.190 nan 0.000 0.490 1103 I N 1.394 121.968 120.570 0.008 0.000 2.142 1103 I HA -0.114 4.056 4.170 -0.000 0.000 0.240 1103 I C 1.402 177.435 176.117 -0.140 0.000 1.078 1103 I CA 1.213 62.473 61.300 -0.067 0.000 1.343 1103 I CB -0.545 37.409 38.000 -0.077 0.000 1.046 1103 I HN 0.716 nan 8.210 nan 0.000 0.405 1104 H N 3.960 123.007 119.070 -0.039 0.000 3.330 1104 H HA 0.063 4.619 4.556 -0.000 0.000 0.260 1104 H C 0.445 175.677 175.328 -0.159 0.000 1.439 1104 H CA 0.090 56.097 56.048 -0.069 0.000 1.540 1104 H CB 0.279 30.001 29.762 -0.066 0.000 1.698 1104 H HN 0.364 nan 8.280 nan 0.000 0.516 1105 Q N 1.962 121.717 119.800 -0.076 0.000 2.387 1105 Q HA -0.062 4.278 4.340 -0.000 0.000 0.211 1105 Q C 1.343 177.251 176.000 -0.153 0.000 0.952 1105 Q CA 0.309 56.018 55.803 -0.157 0.000 0.957 1105 Q CB 0.321 28.987 28.738 -0.119 0.000 1.002 1105 Q HN 0.744 nan 8.270 nan 0.000 0.502 1106 E N -0.709 119.405 120.200 -0.143 0.000 2.511 1106 E HA -0.041 4.309 4.350 -0.000 0.000 0.209 1106 E C 1.460 177.929 176.600 -0.219 0.000 0.986 1106 E CA 0.134 56.422 56.400 -0.187 0.000 0.974 1106 E CB -0.115 29.359 29.700 -0.376 0.000 1.030 1106 E HN 0.399 nan 8.360 nan 0.000 0.490 1107 M N 0.176 119.633 119.600 -0.239 0.000 2.509 1107 M HA 0.287 4.767 4.480 -0.000 0.000 0.250 1107 M C 2.043 178.176 176.300 -0.279 0.000 1.132 1107 M CA 0.485 55.662 55.300 -0.205 0.000 1.080 1107 M CB -0.540 31.968 32.600 -0.153 0.000 1.408 1107 M HN 0.060 nan 8.290 nan 0.000 0.484 1108 I N -1.462 118.766 120.570 -0.571 0.000 2.761 1108 I HA 0.407 4.576 4.170 -0.000 0.000 0.261 1108 I C 1.325 177.309 176.117 -0.222 0.000 1.198 1108 I CA 0.490 61.304 61.300 -0.810 0.000 1.482 1108 I CB -0.878 36.374 38.000 -1.247 0.000 1.100 1108 I HN 0.482 nan 8.210 nan 0.000 0.445 1109 G N 1.679 110.435 108.800 -0.074 0.000 2.523 1109 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.271 1109 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.271 1109 G C 0.824 175.675 174.900 -0.082 0.000 1.146 1109 G CA 0.092 45.285 45.100 0.154 0.000 0.961 1109 G HN 0.607 nan 8.290 nan 0.000 0.549 1110 G N -0.345 108.288 108.800 -0.278 0.000 2.708 1110 G HA2 0.277 4.237 3.960 -0.000 0.000 0.210 1110 G HA3 0.277 4.237 3.960 -0.000 0.000 0.210 1110 G C 1.491 175.917 174.900 -0.789 0.000 1.141 1110 G CA 1.379 45.783 45.100 -1.160 0.000 0.788 1110 G HN 0.647 nan 8.290 nan 0.000 0.531 1111 L N -0.412 120.586 121.223 -0.375 0.000 2.554 1111 L HA 0.282 4.621 4.340 -0.000 0.000 0.226 1111 L C 2.519 179.203 176.870 -0.311 0.000 1.137 1111 L CA 0.436 55.121 54.840 -0.258 0.000 0.863 1111 L CB -0.153 41.761 42.059 -0.242 0.000 0.985 1111 L HN 0.154 nan 8.230 nan 0.000 0.451 1112 R N 0.075 120.348 120.500 -0.378 0.000 2.148 1112 R HA -0.070 4.269 4.340 -0.000 0.000 0.223 1112 R C 0.824 176.970 176.300 -0.255 0.000 1.088 1112 R CA 0.255 56.180 56.100 -0.293 0.000 0.985 1112 R CB 0.014 30.171 30.300 -0.237 0.000 0.880 1112 R HN 0.252 nan 8.270 nan 0.000 0.451 1113 N N 1.250 119.750 118.700 -0.334 0.000 2.438 1113 N HA -0.043 4.696 4.740 -0.000 0.000 0.267 1113 N C -0.355 175.064 175.510 -0.152 0.000 1.222 1113 N CA 0.442 53.346 53.050 -0.243 0.000 0.930 1113 N CB 0.469 38.776 38.487 -0.299 0.000 1.083 1113 N HN 0.234 nan 8.380 nan 0.000 0.476 1114 N N 2.169 120.807 118.700 -0.104 0.000 2.443 1114 N HA -0.114 4.626 4.740 -0.000 0.000 0.184 1114 N C -0.505 174.979 175.510 -0.043 0.000 1.037 1114 N CA 0.335 53.346 53.050 -0.066 0.000 0.896 1114 N CB -0.059 38.398 38.487 -0.049 0.000 0.959 1114 N HN 0.502 nan 8.380 nan 0.000 0.442 1115 N N 2.486 121.157 118.700 -0.048 0.000 2.434 1115 N HA -0.011 4.728 4.740 -0.000 0.000 0.268 1115 N C -0.573 174.935 175.510 -0.003 0.000 1.256 1115 N CA 0.585 53.621 53.050 -0.024 0.000 0.914 1115 N CB 0.133 38.603 38.487 -0.028 0.000 1.088 1115 N HN 0.156 nan 8.380 nan 0.000 0.478 1116 E N 0.262 120.471 120.200 0.015 0.000 2.240 1116 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 1116 E C 0.161 176.795 176.600 0.057 0.000 1.385 1116 E CA 0.415 56.840 56.400 0.042 0.000 0.686 1116 E CB -0.828 28.896 29.700 0.040 0.000 1.125 1116 E HN 0.716 nan 8.360 nan 0.000 0.359 1117 K N -0.664 119.766 120.400 0.049 0.000 2.426 1117 K HA 0.002 4.322 4.320 -0.000 0.000 0.193 1117 K C 0.574 177.230 176.600 0.092 0.000 1.028 1117 K CA 0.439 56.757 56.287 0.053 0.000 1.047 1117 K CB 0.473 32.983 32.500 0.018 0.000 0.821 1117 K HN -0.009 nan 8.250 nan 0.000 0.513 1118 D N 0.571 121.041 120.400 0.116 0.000 2.347 1118 D HA 0.025 4.665 4.640 -0.000 0.000 0.213 1118 D C 1.548 178.003 176.300 0.258 0.000 0.985 1118 D CA 0.739 54.834 54.000 0.159 0.000 0.879 1118 D CB 0.268 41.177 40.800 0.181 0.000 0.919 1118 D HN 0.227 nan 8.370 nan 0.000 0.526 1119 M N -0.294 119.440 119.600 0.224 0.000 2.691 1119 M HA 0.247 4.727 4.480 -0.000 0.000 0.261 1119 M C 2.138 178.548 176.300 0.183 0.000 1.227 1119 M CA 0.328 55.768 55.300 0.233 0.000 1.197 1119 M CB -0.651 32.038 32.600 0.149 0.000 1.294 1119 M HN -0.052 nan 8.290 nan 0.000 0.508 1120 A N 0.847 123.758 122.820 0.152 0.000 1.877 1120 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 1120 A C 2.157 179.859 177.584 0.196 0.000 1.186 1120 A CA 1.470 53.601 52.037 0.158 0.000 0.620 1120 A CB -0.955 18.151 19.000 0.176 0.000 0.822 1120 A HN 0.378 nan 8.150 nan 0.000 0.443 1121 L N -0.181 121.155 121.223 0.188 0.000 2.017 1121 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 1121 L C 2.443 179.451 176.870 0.230 0.000 1.073 1121 L CA 2.851 57.825 54.840 0.223 0.000 0.745 1121 L CB -1.146 41.023 42.059 0.184 0.000 0.894 1121 L HN 0.373 nan 8.230 nan 0.000 0.432 1122 T N -0.087 114.604 114.554 0.229 0.000 2.788 1122 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 1122 T C 1.860 176.656 174.700 0.161 0.000 1.044 1122 T CA 1.298 63.553 62.100 0.259 0.000 1.139 1122 T CB -0.494 68.565 68.868 0.319 0.000 0.867 1122 T HN 0.522 nan 8.240 nan 0.000 0.454 1123 A N 0.479 123.399 122.820 0.167 0.000 1.968 1123 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 1123 A C 1.962 179.599 177.584 0.089 0.000 1.169 1123 A CA 0.845 52.947 52.037 0.108 0.000 0.638 1123 A CB -0.772 18.281 19.000 0.088 0.000 0.812 1123 A HN 0.485 nan 8.150 nan 0.000 0.446 1124 F N 0.609 120.562 119.950 0.005 0.000 2.084 1124 F HA -0.121 4.406 4.527 -0.000 0.000 0.296 1124 F C 2.213 177.978 175.800 -0.058 0.000 1.111 1124 F CA 1.980 59.996 58.000 0.026 0.000 1.224 1124 F CB -0.158 38.913 39.000 0.117 0.000 0.991 1124 F HN 0.020 nan 8.300 nan 0.000 0.471 1125 V N 0.489 120.404 119.914 0.000 0.000 2.407 1125 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 1125 V C 2.293 178.147 176.094 -0.400 0.000 1.055 1125 V CA 1.568 63.678 62.300 -0.316 0.000 1.049 1125 V CB -0.821 30.564 31.823 -0.731 0.000 0.662 1125 V HN 0.408 nan 8.190 nan 0.000 0.455 1126 L N 0.072 121.119 121.223 -0.293 0.000 2.046 1126 L HA -0.119 4.220 4.340 -0.000 0.000 0.208 1126 L C 2.166 178.941 176.870 -0.159 0.000 1.077 1126 L CA 1.856 56.591 54.840 -0.176 0.000 0.747 1126 L CB -0.508 41.520 42.059 -0.052 0.000 0.896 1126 L HN 0.227 nan 8.230 nan 0.000 0.432 1127 I N -1.230 119.243 120.570 -0.161 0.000 2.226 1127 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 1127 I C 2.264 178.290 176.117 -0.151 0.000 1.100 1127 I CA 1.372 62.590 61.300 -0.136 0.000 1.374 1127 I CB -0.449 37.545 38.000 -0.010 0.000 1.057 1127 I HN 0.198 nan 8.210 nan 0.000 0.413 1128 S N 0.757 116.316 115.700 -0.236 0.000 2.423 1128 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 1128 S C 1.940 176.456 174.600 -0.140 0.000 1.014 1128 S CA 0.992 59.064 58.200 -0.214 0.000 0.965 1128 S CB -0.175 62.849 63.200 -0.293 0.000 0.785 1128 S HN 0.362 nan 8.310 nan 0.000 0.495 1129 L N 0.955 122.095 121.223 -0.138 0.000 2.240 1129 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 1129 L C 2.480 179.313 176.870 -0.061 0.000 1.106 1129 L CA 0.857 55.647 54.840 -0.084 0.000 0.793 1129 L CB -0.389 41.628 42.059 -0.071 0.000 0.927 1129 L HN 0.333 nan 8.230 nan 0.000 0.446 1130 Q N -0.192 119.559 119.800 -0.080 0.000 2.269 1130 Q HA -0.106 4.234 4.340 -0.000 0.000 0.201 1130 Q C 1.630 177.596 176.000 -0.057 0.000 0.946 1130 Q CA 0.753 56.511 55.803 -0.074 0.000 0.877 1130 Q CB 0.149 28.818 28.738 -0.114 0.000 0.963 1130 Q HN 0.527 nan 8.270 nan 0.000 0.472 1131 E N 0.523 120.692 120.200 -0.052 0.000 2.427 1131 E HA -0.008 4.342 4.350 -0.000 0.000 0.196 1131 E C 0.813 177.405 176.600 -0.014 0.000 1.028 1131 E CA 0.509 56.896 56.400 -0.022 0.000 0.864 1131 E CB 0.262 29.958 29.700 -0.006 0.000 0.813 1131 E HN 0.202 nan 8.360 nan 0.000 0.514 1132 A N 0.896 123.703 122.820 -0.022 0.000 2.545 1132 A HA 0.118 4.438 4.320 -0.000 0.000 0.277 1132 A C 1.496 179.077 177.584 -0.005 0.000 1.301 1132 A CA -0.295 51.737 52.037 -0.007 0.000 0.935 1132 A CB 0.033 19.027 19.000 -0.010 0.000 1.093 1132 A HN -0.023 nan 8.150 nan 0.000 0.519 1133 K N 0.505 120.898 120.400 -0.011 0.000 1.967 1133 K HA -0.165 4.155 4.320 -0.000 0.000 0.212 1133 K C 0.952 177.551 176.600 -0.002 0.000 1.044 1133 K CA 1.860 58.142 56.287 -0.009 0.000 0.942 1133 K CB -0.142 32.348 32.500 -0.017 0.000 0.726 1133 K HN 0.302 nan 8.250 nan 0.000 0.440 1134 D N 0.770 121.169 120.400 -0.001 0.000 2.190 1134 D HA -0.175 4.465 4.640 -0.000 0.000 0.200 1134 D C 1.821 178.125 176.300 0.007 0.000 0.992 1134 D CA 1.198 55.199 54.000 0.002 0.000 0.854 1134 D CB -0.144 40.657 40.800 0.003 0.000 0.936 1134 D HN 0.364 nan 8.370 nan 0.000 0.462 1135 I N -0.474 120.102 120.570 0.010 0.000 2.500 1135 I HA -0.118 4.052 4.170 -0.000 0.000 0.252 1135 I C 0.697 176.824 176.117 0.018 0.000 1.142 1135 I CA 0.546 61.855 61.300 0.016 0.000 1.451 1135 I CB 0.161 38.174 38.000 0.022 0.000 1.093 1135 I HN -0.044 nan 8.210 nan 0.000 0.430 1136 c N 1.135 119.744 118.600 0.015 0.000 3.276 1136 c HA 0.291 4.861 4.570 -0.000 0.000 0.226 1136 c C 1.369 175.468 174.090 0.014 0.000 1.502 1136 c CA -0.593 55.747 56.329 0.018 0.000 1.488 1136 c CB -0.810 41.713 42.510 0.022 0.000 2.014 1136 c HN 0.386 nan 8.230 nan 0.000 0.492 1137 E N 0.354 120.561 120.200 0.011 0.000 2.332 1137 E HA -0.050 4.299 4.350 -0.000 0.000 0.202 1137 E C 1.725 178.331 176.600 0.010 0.000 0.877 1137 E CA 0.379 56.784 56.400 0.009 0.000 0.979 1137 E CB 0.450 30.153 29.700 0.004 0.000 0.969 1137 E HN 0.491 nan 8.360 nan 0.000 0.495 1138 E N 1.080 121.286 120.200 0.010 0.000 2.318 1138 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 1138 E C 1.625 178.233 176.600 0.013 0.000 0.998 1138 E CA 0.935 57.341 56.400 0.010 0.000 0.859 1138 E CB 0.297 30.002 29.700 0.009 0.000 0.812 1138 E HN 0.136 nan 8.360 nan 0.000 0.492 1139 Q N -0.852 118.958 119.800 0.017 0.000 2.376 1139 Q HA 0.174 4.514 4.340 -0.000 0.000 0.206 1139 Q C -0.413 175.601 176.000 0.023 0.000 0.921 1139 Q CA 0.326 56.141 55.803 0.021 0.000 0.911 1139 Q CB 1.466 30.219 28.738 0.025 0.000 1.032 1139 Q HN 0.014 nan 8.270 nan 0.000 0.510 1140 V N 1.552 121.479 119.914 0.022 0.000 2.409 1140 V HA 0.151 4.271 4.120 -0.000 0.000 0.290 1140 V C -0.099 176.006 176.094 0.018 0.000 1.017 1140 V CA -0.465 61.849 62.300 0.024 0.000 0.841 1140 V CB 1.447 33.288 31.823 0.030 0.000 1.003 1140 V HN 0.253 nan 8.190 nan 0.000 0.426 1141 N N 1.930 120.639 118.700 0.015 0.000 2.392 1141 N HA -0.075 4.665 4.740 -0.000 0.000 0.177 1141 N C 1.575 177.090 175.510 0.008 0.000 1.066 1141 N CA 0.742 53.798 53.050 0.010 0.000 0.895 1141 N CB 0.319 38.811 38.487 0.008 0.000 0.988 1141 N HN 0.704 nan 8.380 nan 0.000 0.457 1142 S N 0.251 115.958 115.700 0.011 0.000 2.631 1142 S HA 0.079 4.549 4.470 -0.000 0.000 0.217 1142 S C 1.545 176.153 174.600 0.014 0.000 0.958 1142 S CA -0.172 58.033 58.200 0.007 0.000 0.920 1142 S CB -0.002 63.200 63.200 0.004 0.000 0.776 1142 S HN 0.140 nan 8.310 nan 0.000 0.517 1143 L N 2.507 123.741 121.223 0.018 0.000 2.023 1143 L HA 0.251 4.591 4.340 -0.000 0.000 0.205 1143 L C -1.160 175.720 176.870 0.017 0.000 1.073 1143 L CA 1.421 56.274 54.840 0.022 0.000 0.745 1143 L CB -1.279 40.791 42.059 0.019 0.000 0.900 1143 L HN 0.093 nan 8.230 nan 0.000 0.435 1144 P HA -0.117 nan 4.420 nan 0.000 0.216 1144 P C 1.598 178.901 177.300 0.004 0.000 1.153 1144 P CA 1.902 65.004 63.100 0.003 0.000 0.858 1144 P CB -0.405 31.294 31.700 -0.000 0.000 0.789 1145 G N -0.937 107.865 108.800 0.003 0.000 2.408 1145 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 1145 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 1145 G C 1.864 176.765 174.900 0.002 0.000 1.150 1145 G CA 1.046 46.145 45.100 -0.002 0.000 0.776 1145 G HN 0.319 nan 8.290 nan 0.000 0.542 1146 S N 0.011 115.718 115.700 0.012 0.000 2.387 1146 S HA 0.009 4.479 4.470 -0.000 0.000 0.226 1146 S C 2.406 177.043 174.600 0.062 0.000 1.026 1146 S CA 0.700 58.918 58.200 0.030 0.000 0.972 1146 S CB -0.258 62.978 63.200 0.060 0.000 0.814 1146 S HN 0.360 nan 8.310 nan 0.000 0.477 1147 I N 1.196 121.796 120.570 0.049 0.000 2.208 1147 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 1147 I C 2.521 178.657 176.117 0.032 0.000 1.097 1147 I CA 1.572 62.896 61.300 0.040 0.000 1.363 1147 I CB -0.824 37.181 38.000 0.010 0.000 1.051 1147 I HN 0.343 nan 8.210 nan 0.000 0.413 1148 T N 0.473 115.038 114.554 0.019 0.000 2.777 1148 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 1148 T C 1.985 176.702 174.700 0.027 0.000 1.040 1148 T CA 0.914 63.022 62.100 0.013 0.000 1.141 1148 T CB -0.072 68.798 68.868 0.003 0.000 0.868 1148 T HN 0.142 nan 8.240 nan 0.000 0.444 1149 K N 1.638 122.054 120.400 0.026 0.000 2.009 1149 K HA 0.041 4.361 4.320 -0.000 0.000 0.210 1149 K C 2.612 179.254 176.600 0.070 0.000 1.049 1149 K CA 1.491 57.795 56.287 0.027 0.000 0.929 1149 K CB -0.935 31.555 32.500 -0.015 0.000 0.714 1149 K HN 0.364 nan 8.250 nan 0.000 0.440 1150 A N 0.701 123.580 122.820 0.098 0.000 1.978 1150 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 1150 A C 2.406 180.092 177.584 0.170 0.000 1.170 1150 A CA 2.101 54.246 52.037 0.180 0.000 0.636 1150 A CB -0.889 18.286 19.000 0.291 0.000 0.810 1150 A HN 0.418 nan 8.150 nan 0.000 0.448 1151 G N -0.579 108.281 108.800 0.100 0.000 2.464 1151 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 1151 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 1151 G C 1.026 175.963 174.900 0.062 0.000 1.138 1151 G CA 1.035 46.170 45.100 0.059 0.000 0.793 1151 G HN 0.452 nan 8.290 nan 0.000 0.539 1152 D N 0.191 120.639 120.400 0.080 0.000 2.097 1152 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 1152 D C 1.883 178.247 176.300 0.108 0.000 0.984 1152 D CA 0.428 54.471 54.000 0.071 0.000 0.826 1152 D CB -0.386 40.455 40.800 0.068 0.000 0.973 1152 D HN 0.291 nan 8.370 nan 0.000 0.460 1153 F N 1.232 121.195 119.950 0.023 0.000 2.113 1153 F HA -0.071 4.456 4.527 -0.000 0.000 0.297 1153 F C 2.042 177.876 175.800 0.057 0.000 1.103 1153 F CA 1.100 59.120 58.000 0.034 0.000 1.248 1153 F CB -0.191 38.829 39.000 0.035 0.000 0.999 1153 F HN -0.123 nan 8.300 nan 0.000 0.475 1154 L N -0.026 121.277 121.223 0.133 0.000 2.141 1154 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 1154 L C 2.457 179.349 176.870 0.035 0.000 1.094 1154 L CA 1.738 56.623 54.840 0.075 0.000 0.763 1154 L CB -0.856 41.303 42.059 0.167 0.000 0.908 1154 L HN 0.258 nan 8.230 nan 0.000 0.437 1155 E N 0.617 120.817 120.200 -0.000 0.000 2.106 1155 E HA -0.201 4.148 4.350 -0.000 0.000 0.192 1155 E C 2.215 178.802 176.600 -0.022 0.000 0.984 1155 E CA 1.080 57.461 56.400 -0.031 0.000 0.806 1155 E CB 0.081 29.750 29.700 -0.052 0.000 0.750 1155 E HN 0.445 nan 8.360 nan 0.000 0.458 1156 A N 0.916 123.694 122.820 -0.071 0.000 1.968 1156 A HA -0.064 4.255 4.320 -0.000 0.000 0.217 1156 A C 1.342 178.856 177.584 -0.116 0.000 1.169 1156 A CA 0.978 52.962 52.037 -0.088 0.000 0.638 1156 A CB -0.046 18.891 19.000 -0.104 0.000 0.812 1156 A HN 0.184 nan 8.150 nan 0.000 0.446 1157 N N -1.440 117.135 118.700 -0.208 0.000 2.380 1157 N HA 0.177 4.917 4.740 -0.000 0.000 0.255 1157 N C 0.173 175.639 175.510 -0.072 0.000 1.158 1157 N CA -0.092 52.835 53.050 -0.205 0.000 0.878 1157 N CB 0.066 38.291 38.487 -0.436 0.000 1.138 1157 N HN 0.600 nan 8.380 nan 0.000 0.509 1158 Y N 0.627 120.864 120.300 -0.105 0.000 2.436 1158 Y HA 0.167 4.717 4.550 -0.000 0.000 0.288 1158 Y C 1.764 177.653 175.900 -0.019 0.000 1.112 1158 Y CA 0.824 58.895 58.100 -0.047 0.000 1.220 1158 Y CB 0.378 38.818 38.460 -0.034 0.000 1.073 1158 Y HN -0.037 nan 8.280 nan 0.000 0.552 1159 M N 0.005 119.661 119.600 0.095 0.000 2.619 1159 M HA -0.028 4.452 4.480 -0.000 0.000 0.251 1159 M C -0.118 176.167 176.300 -0.025 0.000 1.106 1159 M CA 1.015 56.341 55.300 0.044 0.000 1.086 1159 M CB -1.092 31.543 32.600 0.058 0.000 1.465 1159 M HN 0.342 nan 8.290 nan 0.000 0.506 1160 N N 0.897 119.565 118.700 -0.053 0.000 2.671 1160 N HA 0.361 5.101 4.740 -0.000 0.000 0.303 1160 N C -0.902 174.564 175.510 -0.074 0.000 1.351 1160 N CA -0.123 52.894 53.050 -0.055 0.000 0.991 1160 N CB 0.663 39.120 38.487 -0.050 0.000 1.307 1160 N HN 0.182 nan 8.380 nan 0.000 0.512 1161 L N 0.198 121.360 121.223 -0.102 0.000 2.362 1161 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 1161 L C 0.593 177.421 176.870 -0.069 0.000 1.002 1161 L CA -0.667 54.110 54.840 -0.105 0.000 0.818 1161 L CB 2.262 44.202 42.059 -0.198 0.000 1.298 1161 L HN 0.083 nan 8.230 nan 0.000 0.420 1162 Q N 0.769 120.546 119.800 -0.038 0.000 2.580 1162 Q HA 0.234 4.574 4.340 -0.000 0.000 0.239 1162 Q C 0.189 176.189 176.000 -0.001 0.000 0.873 1162 Q CA 0.298 56.089 55.803 -0.020 0.000 0.951 1162 Q CB 0.600 29.330 28.738 -0.014 0.000 1.172 1162 Q HN 0.518 nan 8.270 nan 0.000 0.616 1163 R N 1.153 121.662 120.500 0.016 0.000 2.484 1163 R HA 0.123 4.463 4.340 -0.000 0.000 0.293 1163 R C 1.230 177.583 176.300 0.089 0.000 1.023 1163 R CA 0.026 56.160 56.100 0.057 0.000 1.037 1163 R CB 0.453 30.799 30.300 0.077 0.000 0.951 1163 R HN 0.057 nan 8.270 nan 0.000 0.418 1164 S N 2.112 117.887 115.700 0.124 0.000 2.419 1164 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 1164 S C 1.427 176.175 174.600 0.246 0.000 1.016 1164 S CA 0.919 59.239 58.200 0.199 0.000 0.974 1164 S CB -0.214 63.098 63.200 0.187 0.000 0.786 1164 S HN 0.661 nan 8.310 nan 0.000 0.492 1165 Y N 2.650 123.009 120.300 0.098 0.000 2.163 1165 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 1165 Y C 2.516 178.433 175.900 0.029 0.000 1.136 1165 Y CA 1.751 59.895 58.100 0.073 0.000 1.147 1165 Y CB -0.801 37.683 38.460 0.040 0.000 0.987 1165 Y HN 0.159 nan 8.280 nan 0.000 0.509 1166 T N -0.333 114.295 114.554 0.124 0.000 2.746 1166 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 1166 T C 2.013 176.679 174.700 -0.056 0.000 1.039 1166 T CA 1.645 63.755 62.100 0.018 0.000 1.142 1166 T CB -0.692 68.204 68.868 0.048 0.000 0.866 1166 T HN 0.206 nan 8.240 nan 0.000 0.444 1167 V N 1.585 121.480 119.914 -0.033 0.000 2.407 1167 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 1167 V C 2.825 179.025 176.094 0.177 0.000 1.055 1167 V CA 1.618 63.898 62.300 -0.033 0.000 1.049 1167 V CB -1.154 30.692 31.823 0.038 0.000 0.662 1167 V HN 0.527 nan 8.190 nan 0.000 0.455 1168 A N -0.183 122.678 122.820 0.069 0.000 1.854 1168 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 1168 A C 2.240 179.815 177.584 -0.015 0.000 1.192 1168 A CA 1.734 53.793 52.037 0.038 0.000 0.611 1168 A CB -0.519 18.354 19.000 -0.212 0.000 0.832 1168 A HN 0.461 nan 8.150 nan 0.000 0.442 1169 I N -0.680 119.730 120.570 -0.267 0.000 2.454 1169 I HA -0.195 3.975 4.170 -0.000 0.000 0.254 1169 I C 2.359 178.426 176.117 -0.083 0.000 1.156 1169 I CA 1.224 62.289 61.300 -0.392 0.000 1.433 1169 I CB -0.028 37.540 38.000 -0.720 0.000 1.082 1169 I HN 0.323 nan 8.210 nan 0.000 0.432 1170 A N 0.027 122.861 122.820 0.023 0.000 2.030 1170 A HA 0.117 4.437 4.320 -0.000 0.000 0.215 1170 A C 2.264 179.956 177.584 0.181 0.000 1.164 1170 A CA 0.900 53.024 52.037 0.145 0.000 0.697 1170 A CB -0.969 18.166 19.000 0.224 0.000 0.827 1170 A HN 0.465 nan 8.150 nan 0.000 0.457 1171 G N -1.422 107.491 108.800 0.188 0.000 2.408 1171 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 1171 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 1171 G C 1.490 176.266 174.900 -0.207 0.000 1.150 1171 G CA 1.256 46.296 45.100 -0.099 0.000 0.776 1171 G HN 0.552 nan 8.290 nan 0.000 0.542 1172 Y N 1.944 122.133 120.300 -0.186 0.000 2.373 1172 Y HA 0.272 4.822 4.550 -0.000 0.000 0.293 1172 Y C 2.667 178.518 175.900 -0.081 0.000 1.129 1172 Y CA 0.574 58.597 58.100 -0.128 0.000 1.226 1172 Y CB -0.161 38.305 38.460 0.011 0.000 1.000 1172 Y HN 0.220 nan 8.280 nan 0.000 0.549 1173 A N -0.374 122.359 122.820 -0.145 0.000 2.066 1173 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 1173 A C 1.986 179.451 177.584 -0.199 0.000 1.157 1173 A CA 1.341 53.260 52.037 -0.198 0.000 0.670 1173 A CB -0.658 18.309 19.000 -0.055 0.000 0.804 1173 A HN 0.517 nan 8.150 nan 0.000 0.453 1174 L N -1.829 119.278 121.223 -0.194 0.000 2.515 1174 L HA 0.143 4.482 4.340 -0.000 0.000 0.223 1174 L C 2.756 179.489 176.870 -0.228 0.000 1.079 1174 L CA 0.656 55.376 54.840 -0.200 0.000 0.857 1174 L CB -0.216 41.699 42.059 -0.240 0.000 1.050 1174 L HN 0.337 nan 8.230 nan 0.000 0.476 1175 A N -0.047 122.616 122.820 -0.262 0.000 1.969 1175 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 1175 A C 2.165 179.624 177.584 -0.210 0.000 1.169 1175 A CA 1.168 53.066 52.037 -0.232 0.000 0.635 1175 A CB -0.277 18.594 19.000 -0.216 0.000 0.810 1175 A HN 0.429 nan 8.150 nan 0.000 0.445 1176 Q N -0.875 118.753 119.800 -0.287 0.000 2.170 1176 Q HA -0.082 4.257 4.340 -0.000 0.000 0.203 1176 Q C 1.929 177.833 176.000 -0.160 0.000 0.976 1176 Q CA 1.655 57.308 55.803 -0.250 0.000 0.858 1176 Q CB -0.251 28.276 28.738 -0.352 0.000 0.907 1176 Q HN 0.751 nan 8.270 nan 0.000 0.433 1177 M N -1.626 117.883 119.600 -0.152 0.000 2.514 1177 M HA 0.147 4.627 4.480 -0.000 0.000 0.258 1177 M C 1.019 177.261 176.300 -0.096 0.000 1.119 1177 M CA 0.807 56.042 55.300 -0.107 0.000 1.111 1177 M CB 0.628 33.170 32.600 -0.096 0.000 1.390 1177 M HN 0.339 nan 8.290 nan 0.000 0.475 1178 G N 1.825 110.557 108.800 -0.115 0.000 2.132 1178 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.228 1178 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.228 1178 G C 0.267 175.104 174.900 -0.106 0.000 1.000 1178 G CA -0.190 44.849 45.100 -0.102 0.000 0.693 1178 G HN 0.508 nan 8.290 nan 0.000 0.515 1179 R N -0.751 119.673 120.500 -0.128 0.000 2.893 1179 R HA 0.418 4.758 4.340 -0.000 0.000 0.317 1179 R C 0.172 176.362 176.300 -0.183 0.000 1.239 1179 R CA -0.355 55.667 56.100 -0.130 0.000 1.128 1179 R CB 0.344 30.578 30.300 -0.111 0.000 1.377 1179 R HN 0.224 nan 8.270 nan 0.000 0.583 1180 L N 1.162 122.268 121.223 -0.196 0.000 2.679 1180 L HA 0.337 4.677 4.340 -0.000 0.000 0.238 1180 L C -0.757 176.006 176.870 -0.178 0.000 1.330 1180 L CA -0.100 54.587 54.840 -0.256 0.000 0.935 1180 L CB 0.062 41.932 42.059 -0.316 0.000 1.243 1180 L HN -0.025 nan 8.230 nan 0.000 0.484 1181 K N -0.002 120.315 120.400 -0.138 0.000 2.246 1181 K HA 0.893 5.213 4.320 -0.000 0.000 0.239 1181 K C 0.570 177.130 176.600 -0.066 0.000 1.089 1181 K CA -0.681 55.554 56.287 -0.086 0.000 0.892 1181 K CB 0.789 33.249 32.500 -0.067 0.000 1.334 1181 K HN 0.281 nan 8.250 nan 0.000 0.507 1182 G N 1.095 109.872 108.800 -0.038 0.000 2.582 1182 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.288 1182 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.288 1182 G C -1.474 173.423 174.900 -0.006 0.000 1.247 1182 G CA 0.269 45.356 45.100 -0.021 0.000 0.972 1182 G HN 0.506 nan 8.290 nan 0.000 0.557 1183 P HA -0.056 nan 4.420 nan 0.000 0.216 1183 P C 2.230 179.570 177.300 0.066 0.000 1.150 1183 P CA 1.826 64.946 63.100 0.033 0.000 0.837 1183 P CB -0.078 31.642 31.700 0.033 0.000 0.786 1184 L N -1.074 120.168 121.223 0.033 0.000 2.083 1184 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 1184 L C 2.662 179.557 176.870 0.042 0.000 1.083 1184 L CA 1.373 56.226 54.840 0.021 0.000 0.752 1184 L CB -1.842 40.064 42.059 -0.255 0.000 0.899 1184 L HN -0.043 nan 8.230 nan 0.000 0.433 1185 L N -0.337 120.882 121.223 -0.006 0.000 2.093 1185 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 1185 L C 2.259 179.197 176.870 0.113 0.000 1.085 1185 L CA 1.534 56.391 54.840 0.028 0.000 0.755 1185 L CB -0.816 41.231 42.059 -0.021 0.000 0.904 1185 L HN 0.337 nan 8.230 nan 0.000 0.435 1186 N N 0.041 118.790 118.700 0.083 0.000 2.142 1186 N HA -0.242 4.498 4.740 -0.000 0.000 0.186 1186 N C 1.933 177.505 175.510 0.104 0.000 1.023 1186 N CA 1.687 54.778 53.050 0.068 0.000 0.852 1186 N CB -0.149 38.362 38.487 0.040 0.000 0.998 1186 N HN 0.435 nan 8.380 nan 0.000 0.424 1187 K N -0.772 119.728 120.400 0.166 0.000 2.026 1187 K HA -0.170 4.149 4.320 -0.000 0.000 0.208 1187 K C 2.053 178.799 176.600 0.243 0.000 1.048 1187 K CA 1.245 57.642 56.287 0.183 0.000 0.929 1187 K CB -0.480 32.160 32.500 0.233 0.000 0.713 1187 K HN 0.215 nan 8.250 nan 0.000 0.439 1188 F N 1.726 121.820 119.950 0.239 0.000 2.161 1188 F HA -0.187 4.340 4.527 -0.000 0.000 0.300 1188 F C 1.599 177.596 175.800 0.328 0.000 1.089 1188 F CA 1.419 59.605 58.000 0.310 0.000 1.282 1188 F CB -0.055 39.103 39.000 0.264 0.000 1.010 1188 F HN -0.002 nan 8.300 nan 0.000 0.485 1189 L N -0.339 120.955 121.223 0.118 0.000 2.072 1189 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 1189 L C 2.530 179.273 176.870 -0.213 0.000 1.079 1189 L CA 1.621 56.367 54.840 -0.157 0.000 0.752 1189 L CB -1.248 40.678 42.059 -0.222 0.000 0.906 1189 L HN 0.273 nan 8.230 nan 0.000 0.436 1190 T N -5.091 109.398 114.554 -0.108 0.000 3.055 1190 T HA -0.084 4.266 4.350 -0.000 0.000 0.265 1190 T C 1.701 176.299 174.700 -0.171 0.000 1.111 1190 T CA 1.139 63.169 62.100 -0.116 0.000 1.118 1190 T CB -0.391 68.445 68.868 -0.053 0.000 0.909 1190 T HN 0.141 nan 8.240 nan 0.000 0.501 1191 T N 2.331 116.779 114.554 -0.178 0.000 2.821 1191 T HA 0.263 4.613 4.350 -0.000 0.000 0.267 1191 T C 1.204 175.575 174.700 -0.549 0.000 1.046 1191 T CA 0.780 62.747 62.100 -0.221 0.000 1.139 1191 T CB -0.629 68.232 68.868 -0.011 0.000 0.871 1191 T HN 0.726 nan 8.240 nan 0.000 0.454 1192 A N 2.029 124.245 122.820 -1.006 0.000 2.520 1192 A HA 0.259 4.579 4.320 -0.000 0.000 0.245 1192 A C 0.336 177.513 177.584 -0.678 0.000 1.072 1192 A CA -0.039 51.158 52.037 -1.399 0.000 0.761 1192 A CB -0.056 17.824 19.000 -1.866 0.000 1.004 1192 A HN 0.363 nan 8.150 nan 0.000 0.499 1193 K N 2.103 122.162 120.400 -0.568 0.000 2.258 1193 K HA 0.267 4.586 4.320 -0.000 0.000 0.284 1193 K C -0.552 175.856 176.600 -0.321 0.000 1.051 1193 K CA -0.137 55.942 56.287 -0.346 0.000 0.923 1193 K CB 0.298 32.641 32.500 -0.262 0.000 1.046 1193 K HN 0.737 nan 8.250 nan 0.000 0.474 1194 D N 3.108 123.377 120.400 -0.218 0.000 3.077 1194 D HA -0.200 4.440 4.640 -0.000 0.000 0.217 1194 D C -0.885 175.291 176.300 -0.208 0.000 1.162 1194 D CA 1.226 55.122 54.000 -0.173 0.000 0.943 1194 D CB -0.787 39.924 40.800 -0.148 0.000 1.122 1194 D HN 0.867 nan 8.370 nan 0.000 0.413 1195 K N -1.101 119.149 120.400 -0.250 0.000 3.257 1195 K HA -0.283 4.037 4.320 -0.000 0.000 0.270 1195 K C 0.460 176.803 176.600 -0.427 0.000 0.984 1195 K CA 1.277 57.431 56.287 -0.220 0.000 0.739 1195 K CB -2.279 30.187 32.500 -0.056 0.000 1.351 1195 K HN 0.839 nan 8.250 nan 0.000 0.463 1196 N N -1.014 117.418 118.700 -0.446 0.000 1.872 1196 N HA -0.026 4.714 4.740 -0.000 0.000 0.223 1196 N C -0.526 174.659 175.510 -0.542 0.000 1.424 1196 N CA -0.698 52.132 53.050 -0.367 0.000 0.710 1196 N CB 0.626 38.974 38.487 -0.232 0.000 1.074 1196 N HN 0.347 nan 8.380 nan 0.000 0.544 1197 R N -0.507 119.561 120.500 -0.720 0.000 2.633 1197 R HA 0.211 4.551 4.340 -0.000 0.000 0.255 1197 R C -2.019 173.934 176.300 -0.578 0.000 1.106 1197 R CA -0.812 54.772 56.100 -0.861 0.000 0.959 1197 R CB 0.618 29.868 30.300 -1.750 0.000 1.259 1197 R HN 0.043 nan 8.270 nan 0.000 0.453 1198 W N 3.867 124.943 121.300 -0.374 0.000 2.296 1198 W HA 0.218 4.878 4.660 -0.000 0.000 0.333 1198 W C -0.325 176.125 176.519 -0.115 0.000 0.931 1198 W CA -0.261 56.965 57.345 -0.198 0.000 1.538 1198 W CB 1.238 30.625 29.460 -0.121 0.000 1.417 1198 W HN 0.714 nan 8.180 nan 0.000 0.380 1199 E N 1.044 121.233 120.200 -0.017 0.000 2.222 1199 E HA 0.534 4.883 4.350 -0.000 0.000 0.267 1199 E C -0.894 175.743 176.600 0.061 0.000 0.963 1199 E CA -0.744 55.682 56.400 0.044 0.000 0.837 1199 E CB 2.140 31.839 29.700 -0.002 0.000 1.183 1199 E HN -0.046 nan 8.360 nan 0.000 0.403 1200 D N 1.363 121.820 120.400 0.095 0.000 2.819 1200 D HA 0.241 4.881 4.640 -0.000 0.000 0.232 1200 D C -2.455 173.886 176.300 0.068 0.000 1.160 1200 D CA -1.755 52.289 54.000 0.075 0.000 0.858 1200 D CB 1.811 42.666 40.800 0.092 0.000 1.610 1200 D HN 0.310 nan 8.370 nan 0.000 0.481 1201 P HA 0.188 nan 4.420 nan 0.000 0.250 1201 P C 0.065 177.396 177.300 0.052 0.000 1.198 1201 P CA 0.397 63.521 63.100 0.039 0.000 1.118 1201 P CB 0.208 31.921 31.700 0.023 0.000 1.208 1202 G N 2.668 111.509 108.800 0.068 0.000 2.498 1202 G HA2 0.096 4.056 3.960 -0.000 0.000 0.181 1202 G HA3 0.096 4.056 3.960 -0.000 0.000 0.181 1202 G C -1.198 173.751 174.900 0.082 0.000 1.169 1202 G CA -0.760 44.393 45.100 0.088 0.000 0.992 1202 G HN 0.270 nan 8.290 nan 0.000 0.490 1203 K N 0.498 120.960 120.400 0.104 0.000 2.276 1203 K HA 0.242 4.561 4.320 -0.000 0.000 0.259 1203 K C 1.069 177.638 176.600 -0.052 0.000 1.001 1203 K CA -0.047 56.211 56.287 -0.048 0.000 0.927 1203 K CB 1.078 33.395 32.500 -0.306 0.000 0.969 1203 K HN 0.511 nan 8.250 nan 0.000 0.490 1204 Q N 0.833 120.577 119.800 -0.094 0.000 2.269 1204 Q HA -0.010 4.329 4.340 -0.000 0.000 0.201 1204 Q C 1.816 177.748 176.000 -0.113 0.000 0.946 1204 Q CA 0.715 56.490 55.803 -0.047 0.000 0.877 1204 Q CB 0.082 28.793 28.738 -0.046 0.000 0.963 1204 Q HN 0.540 nan 8.270 nan 0.000 0.472 1205 L N -0.343 120.719 121.223 -0.268 0.000 2.141 1205 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 1205 L C 1.743 178.529 176.870 -0.140 0.000 1.094 1205 L CA 0.998 55.651 54.840 -0.312 0.000 0.763 1205 L CB -0.356 41.479 42.059 -0.373 0.000 0.908 1205 L HN 0.258 nan 8.230 nan 0.000 0.437 1206 Y N -0.194 120.108 120.300 0.004 0.000 2.314 1206 Y HA -0.100 4.450 4.550 -0.000 0.000 0.293 1206 Y C 2.448 178.448 175.900 0.167 0.000 1.129 1206 Y CA 0.378 58.491 58.100 0.022 0.000 1.201 1206 Y CB -0.773 37.616 38.460 -0.119 0.000 0.999 1206 Y HN 0.240 nan 8.280 nan 0.000 0.541 1207 N N -0.191 118.673 118.700 0.273 0.000 2.171 1207 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 1207 N C 2.027 177.728 175.510 0.318 0.000 1.021 1207 N CA 1.250 54.474 53.050 0.289 0.000 0.854 1207 N CB -0.758 37.881 38.487 0.254 0.000 0.994 1207 N HN 0.157 nan 8.380 nan 0.000 0.426 1208 V N 1.513 121.570 119.914 0.238 0.000 2.343 1208 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 1208 V C 2.354 178.572 176.094 0.206 0.000 1.051 1208 V CA 1.654 64.069 62.300 0.193 0.000 1.036 1208 V CB -0.492 31.259 31.823 -0.119 0.000 0.654 1208 V HN 0.397 nan 8.190 nan 0.000 0.451 1209 E N 0.342 120.698 120.200 0.260 0.000 2.072 1209 E HA -0.197 4.152 4.350 -0.000 0.000 0.191 1209 E C 2.252 179.134 176.600 0.470 0.000 0.985 1209 E CA 1.259 57.891 56.400 0.388 0.000 0.801 1209 E CB -0.217 29.809 29.700 0.544 0.000 0.750 1209 E HN 0.549 nan 8.360 nan 0.000 0.452 1210 A N 0.329 123.429 122.820 0.466 0.000 1.902 1210 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 1210 A C 2.359 180.050 177.584 0.179 0.000 1.181 1210 A CA 2.019 54.239 52.037 0.305 0.000 0.623 1210 A CB -0.906 18.330 19.000 0.395 0.000 0.818 1210 A HN 0.347 nan 8.150 nan 0.000 0.443 1211 T N -0.042 114.645 114.554 0.222 0.000 2.867 1211 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 1211 T C 2.202 176.944 174.700 0.070 0.000 1.057 1211 T CA 1.462 63.665 62.100 0.172 0.000 1.136 1211 T CB -0.229 68.799 68.868 0.267 0.000 0.874 1211 T HN 0.483 nan 8.240 nan 0.000 0.466 1212 S N 0.651 116.399 115.700 0.080 0.000 2.356 1212 S HA -0.069 4.401 4.470 -0.000 0.000 0.223 1212 S C 1.752 176.242 174.600 -0.184 0.000 1.032 1212 S CA 1.039 59.206 58.200 -0.055 0.000 1.005 1212 S CB -0.508 62.639 63.200 -0.088 0.000 0.867 1212 S HN 0.543 nan 8.310 nan 0.000 0.449 1213 Y N 1.741 121.959 120.300 -0.136 0.000 2.224 1213 Y HA -0.098 4.452 4.550 -0.000 0.000 0.289 1213 Y C 2.629 178.379 175.900 -0.250 0.000 1.146 1213 Y CA 0.767 58.726 58.100 -0.235 0.000 1.182 1213 Y CB -0.609 37.767 38.460 -0.140 0.000 0.983 1213 Y HN 0.277 nan 8.280 nan 0.000 0.524 1214 A N -0.402 122.341 122.820 -0.128 0.000 1.930 1214 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 1214 A C 2.133 179.645 177.584 -0.120 0.000 1.175 1214 A CA 1.479 53.351 52.037 -0.274 0.000 0.627 1214 A CB -0.948 17.259 19.000 -1.323 0.000 0.815 1214 A HN 0.413 nan 8.150 nan 0.000 0.443 1215 L N -0.096 121.060 121.223 -0.112 0.000 2.017 1215 L HA -0.083 4.256 4.340 -0.000 0.000 0.208 1215 L C 2.258 179.098 176.870 -0.049 0.000 1.073 1215 L CA 1.671 56.499 54.840 -0.020 0.000 0.745 1215 L CB -0.582 41.473 42.059 -0.008 0.000 0.894 1215 L HN 0.399 nan 8.230 nan 0.000 0.432 1216 L N -0.673 120.432 121.223 -0.196 0.000 2.127 1216 L HA -0.200 4.139 4.340 -0.000 0.000 0.211 1216 L C 2.631 179.476 176.870 -0.043 0.000 1.089 1216 L CA 1.105 55.774 54.840 -0.286 0.000 0.757 1216 L CB -0.926 40.579 42.059 -0.923 0.000 0.899 1216 L HN 0.403 nan 8.230 nan 0.000 0.434 1217 A N 0.254 123.076 122.820 0.004 0.000 1.873 1217 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 1217 A C 2.227 179.788 177.584 -0.039 0.000 1.186 1217 A CA 1.298 53.370 52.037 0.058 0.000 0.616 1217 A CB -0.631 18.226 19.000 -0.238 0.000 0.823 1217 A HN 0.355 nan 8.150 nan 0.000 0.442 1218 L N -0.605 120.624 121.223 0.010 0.000 2.083 1218 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 1218 L C 2.410 179.221 176.870 -0.100 0.000 1.083 1218 L CA 0.908 55.761 54.840 0.022 0.000 0.752 1218 L CB -0.541 41.612 42.059 0.157 0.000 0.899 1218 L HN 0.359 nan 8.230 nan 0.000 0.433 1219 L N -0.780 120.403 121.223 -0.067 0.000 2.217 1219 L HA -0.166 4.174 4.340 -0.000 0.000 0.211 1219 L C 2.546 179.369 176.870 -0.079 0.000 1.107 1219 L CA 0.628 55.401 54.840 -0.111 0.000 0.783 1219 L CB -0.335 41.737 42.059 0.021 0.000 0.919 1219 L HN 0.262 nan 8.230 nan 0.000 0.442 1220 Q N 0.492 120.286 119.800 -0.010 0.000 2.187 1220 Q HA -0.044 4.295 4.340 -0.000 0.000 0.199 1220 Q C 1.907 177.872 176.000 -0.057 0.000 0.957 1220 Q CA 1.262 57.066 55.803 0.002 0.000 0.857 1220 Q CB 0.065 28.832 28.738 0.047 0.000 0.929 1220 Q HN 0.481 nan 8.270 nan 0.000 0.453 1221 L N -0.018 121.148 121.223 -0.094 0.000 2.592 1221 L HA 0.181 4.521 4.340 -0.000 0.000 0.227 1221 L C -0.095 176.703 176.870 -0.121 0.000 1.127 1221 L CA 0.077 54.857 54.840 -0.100 0.000 0.884 1221 L CB -0.011 41.985 42.059 -0.106 0.000 1.065 1221 L HN 0.113 nan 8.230 nan 0.000 0.457 1222 K N 0.911 121.173 120.400 -0.229 0.000 3.239 1222 K HA -0.205 4.115 4.320 -0.000 0.000 0.270 1222 K C -0.274 176.087 176.600 -0.398 0.000 1.049 1222 K CA 0.513 56.555 56.287 -0.408 0.000 0.769 1222 K CB -1.277 31.220 32.500 -0.005 0.000 1.305 1222 K HN 0.146 nan 8.250 nan 0.000 0.469 1223 D N 0.466 120.612 120.400 -0.423 0.000 2.622 1223 D HA 0.195 4.835 4.640 -0.000 0.000 0.262 1223 D C 0.181 176.419 176.300 -0.103 0.000 1.189 1223 D CA -0.684 53.233 54.000 -0.138 0.000 0.985 1223 D CB -0.096 40.705 40.800 0.001 0.000 0.994 1223 D HN 0.168 nan 8.370 nan 0.000 0.513 1224 F N 0.193 120.226 119.950 0.138 0.000 2.816 1224 F HA 0.100 4.626 4.527 -0.000 0.000 0.302 1224 F C 1.445 177.339 175.800 0.157 0.000 1.178 1224 F CA 0.048 58.135 58.000 0.146 0.000 1.421 1224 F CB 0.196 39.255 39.000 0.099 0.000 1.114 1224 F HN 0.127 nan 8.300 nan 0.000 0.573 1225 D N -1.207 119.368 120.400 0.292 0.000 2.354 1225 D HA -0.020 4.619 4.640 -0.000 0.000 0.209 1225 D C 1.292 177.754 176.300 0.270 0.000 1.015 1225 D CA 0.675 54.825 54.000 0.250 0.000 0.867 1225 D CB -0.061 40.869 40.800 0.217 0.000 0.933 1225 D HN 0.298 nan 8.370 nan 0.000 0.520 1226 F N 0.024 120.050 119.950 0.127 0.000 2.706 1226 F HA 0.136 4.663 4.527 -0.000 0.000 0.313 1226 F C 1.466 177.353 175.800 0.145 0.000 1.096 1226 F CA 0.016 58.090 58.000 0.124 0.000 1.219 1226 F CB 0.628 39.709 39.000 0.134 0.000 1.051 1226 F HN -0.275 nan 8.300 nan 0.000 0.568 1227 V N 1.437 121.487 119.914 0.227 0.000 2.379 1227 V HA -0.052 4.068 4.120 -0.000 0.000 0.243 1227 V C -0.520 175.645 176.094 0.118 0.000 1.035 1227 V CA 1.377 63.799 62.300 0.204 0.000 1.035 1227 V CB -1.457 30.536 31.823 0.284 0.000 0.673 1227 V HN 0.099 nan 8.190 nan 0.000 0.457 1228 P HA -0.134 nan 4.420 nan 0.000 0.216 1228 P C -1.423 175.877 177.300 0.000 0.000 1.157 1228 P CA 2.102 65.252 63.100 0.083 0.000 0.880 1228 P CB -1.313 30.445 31.700 0.097 0.000 0.791 1229 P HA -0.097 nan 4.420 nan 0.000 0.217 1229 P C 1.608 178.875 177.300 -0.055 0.000 1.150 1229 P CA 1.045 64.081 63.100 -0.107 0.000 0.832 1229 P CB -0.446 31.092 31.700 -0.271 0.000 0.787 1230 V N -0.427 119.456 119.914 -0.052 0.000 2.307 1230 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 1230 V C 2.479 178.640 176.094 0.113 0.000 1.045 1230 V CA 1.704 64.046 62.300 0.070 0.000 1.024 1230 V CB -1.256 30.668 31.823 0.169 0.000 0.651 1230 V HN -0.051 nan 8.190 nan 0.000 0.449 1231 V N 0.211 120.126 119.914 0.002 0.000 2.407 1231 V HA -0.282 3.837 4.120 -0.000 0.000 0.248 1231 V C 2.567 178.632 176.094 -0.049 0.000 1.055 1231 V CA 2.387 64.621 62.300 -0.111 0.000 1.049 1231 V CB -0.876 30.701 31.823 -0.411 0.000 0.662 1231 V HN 0.507 nan 8.190 nan 0.000 0.455 1232 R N -1.150 119.347 120.500 -0.006 0.000 2.105 1232 R HA -0.260 4.080 4.340 -0.000 0.000 0.239 1232 R C 2.164 178.495 176.300 0.051 0.000 1.135 1232 R CA 2.291 58.398 56.100 0.012 0.000 0.967 1232 R CB -0.401 29.913 30.300 0.024 0.000 0.861 1232 R HN 0.651 nan 8.270 nan 0.000 0.442 1233 W N 1.052 122.311 121.300 -0.068 0.000 2.363 1233 W HA -0.127 4.533 4.660 -0.000 0.000 0.296 1233 W C 1.483 177.967 176.519 -0.059 0.000 1.212 1233 W CA 1.227 58.539 57.345 -0.054 0.000 1.260 1233 W CB -0.119 29.317 29.460 -0.041 0.000 1.131 1233 W HN 0.053 nan 8.180 nan 0.000 0.530 1234 L N 0.593 121.863 121.223 0.079 0.000 2.005 1234 L HA -0.250 4.090 4.340 -0.000 0.000 0.207 1234 L C 2.284 179.007 176.870 -0.245 0.000 1.072 1234 L CA 1.454 56.230 54.840 -0.107 0.000 0.744 1234 L CB -1.149 40.910 42.059 0.000 0.000 0.895 1234 L HN -0.038 nan 8.230 nan 0.000 0.433 1235 N N 0.158 118.757 118.700 -0.169 0.000 2.223 1235 N HA -0.177 4.563 4.740 -0.000 0.000 0.185 1235 N C 1.674 177.069 175.510 -0.192 0.000 1.016 1235 N CA 1.115 54.068 53.050 -0.162 0.000 0.863 1235 N CB -0.170 38.263 38.487 -0.089 0.000 0.983 1235 N HN 0.428 nan 8.380 nan 0.000 0.429 1236 E N 0.348 120.418 120.200 -0.217 0.000 2.274 1236 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 1236 E C 1.457 177.878 176.600 -0.298 0.000 0.996 1236 E CA 0.434 56.703 56.400 -0.219 0.000 0.840 1236 E CB 0.078 29.659 29.700 -0.198 0.000 0.772 1236 E HN 0.334 nan 8.360 nan 0.000 0.491 1237 Q N 0.344 119.882 119.800 -0.436 0.000 2.291 1237 Q HA -0.045 4.295 4.340 -0.000 0.000 0.205 1237 Q C 0.313 176.136 176.000 -0.296 0.000 0.970 1237 Q CA 0.443 55.983 55.803 -0.438 0.000 0.876 1237 Q CB -0.057 28.319 28.738 -0.604 0.000 0.935 1237 Q HN 0.205 nan 8.270 nan 0.000 0.455 1238 R N -0.129 120.173 120.500 -0.329 0.000 3.333 1238 R HA -0.232 4.108 4.340 -0.000 0.000 0.256 1238 R C -0.896 175.015 176.300 -0.649 0.000 1.010 1238 R CA 0.229 56.041 56.100 -0.480 0.000 0.680 1238 R CB -2.261 27.895 30.300 -0.241 0.000 1.102 1238 R HN 0.190 nan 8.270 nan 0.000 0.440 1239 Y N 0.358 120.283 120.300 -0.625 0.000 2.404 1239 Y HA 0.216 4.766 4.550 -0.000 0.000 0.344 1239 Y C 0.029 175.686 175.900 -0.406 0.000 0.970 1239 Y CA -0.895 56.949 58.100 -0.427 0.000 1.180 1239 Y CB 0.372 38.670 38.460 -0.270 0.000 1.138 1239 Y HN 0.136 nan 8.280 nan 0.000 0.510 1240 Y N 4.603 124.696 120.300 -0.344 0.000 2.583 1240 Y HA 0.381 4.931 4.550 -0.000 0.000 0.294 1240 Y C 1.370 177.199 175.900 -0.119 0.000 1.170 1240 Y CA -0.052 57.996 58.100 -0.088 0.000 1.265 1240 Y CB -0.202 38.308 38.460 0.083 0.000 1.119 1240 Y HN 0.904 nan 8.280 nan 0.000 0.522 1241 G N 0.116 108.467 108.800 -0.748 0.000 2.752 1241 G HA2 0.193 4.153 3.960 -0.000 0.000 0.234 1241 G HA3 0.193 4.153 3.960 -0.000 0.000 0.234 1241 G C 0.170 175.050 174.900 -0.034 0.000 1.367 1241 G CA -0.144 44.727 45.100 -0.381 0.000 0.879 1241 G HN 1.235 nan 8.290 nan 0.000 0.563 1242 G N -1.939 106.963 108.800 0.170 0.000 2.757 1242 G HA2 0.518 4.478 3.960 -0.000 0.000 0.686 1242 G HA3 0.518 4.478 3.960 -0.000 0.000 0.686 1242 G C 1.254 176.228 174.900 0.124 0.000 1.452 1242 G CA 0.783 45.992 45.100 0.181 0.000 0.922 1242 G HN 3.251 nan 8.290 nan 0.000 0.588 1243 G N -0.427 108.446 108.800 0.121 0.000 2.592 1243 G HA2 0.456 4.416 3.960 -0.000 0.000 0.685 1243 G HA3 0.456 4.416 3.960 -0.000 0.000 0.685 1243 G C -0.335 174.661 174.900 0.160 0.000 1.278 1243 G CA 0.047 45.230 45.100 0.138 0.000 0.822 1243 G HN 2.235 nan 8.290 nan 0.000 0.652 1244 Y N 1.535 121.870 120.300 0.058 0.000 2.865 1244 Y HA 0.282 4.832 4.550 -0.000 0.000 0.338 1244 Y C 1.507 177.440 175.900 0.054 0.000 1.269 1244 Y CA 1.935 60.066 58.100 0.051 0.000 1.585 1244 Y CB 0.402 38.885 38.460 0.038 0.000 1.224 1244 Y HN 2.490 nan 8.280 nan 0.000 0.554 1245 G N 4.077 112.543 108.800 -0.556 0.000 2.295 1245 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.287 1245 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.287 1245 G C 0.309 175.145 174.900 -0.106 0.000 1.055 1245 G CA 0.555 45.401 45.100 -0.424 0.000 0.922 1245 G HN 1.481 nan 8.290 nan 0.000 0.503 1246 S N -1.894 113.810 115.700 0.007 0.000 2.624 1246 S HA 0.391 4.860 4.470 -0.000 0.000 0.246 1246 S C 1.510 176.228 174.600 0.196 0.000 1.072 1246 S CA 0.840 59.130 58.200 0.150 0.000 1.045 1246 S CB 0.703 64.061 63.200 0.263 0.000 0.851 1246 S HN 0.297 nan 8.310 nan 0.000 0.480 1247 T N 2.462 117.094 114.554 0.131 0.000 2.701 1247 T HA -0.070 4.280 4.350 -0.000 0.000 0.263 1247 T C 1.892 176.771 174.700 0.299 0.000 1.040 1247 T CA 1.336 63.543 62.100 0.178 0.000 1.147 1247 T CB -0.173 68.732 68.868 0.061 0.000 0.865 1247 T HN 0.351 nan 8.240 nan 0.000 0.426 1248 Q N 0.710 120.682 119.800 0.287 0.000 2.137 1248 Q HA 0.199 4.539 4.340 -0.000 0.000 0.198 1248 Q C 2.684 178.930 176.000 0.410 0.000 0.960 1248 Q CA 1.191 57.247 55.803 0.422 0.000 0.847 1248 Q CB -0.683 28.321 28.738 0.444 0.000 0.915 1248 Q HN 0.544 nan 8.270 nan 0.000 0.448 1249 A N 0.454 123.465 122.820 0.317 0.000 1.972 1249 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 1249 A C 2.204 180.010 177.584 0.370 0.000 1.169 1249 A CA 1.903 54.092 52.037 0.252 0.000 0.635 1249 A CB -0.483 18.574 19.000 0.095 0.000 0.810 1249 A HN 0.351 nan 8.150 nan 0.000 0.446 1250 T N -1.676 113.151 114.554 0.454 0.000 2.901 1250 T HA 0.036 4.385 4.350 -0.000 0.000 0.252 1250 T C 1.587 176.579 174.700 0.485 0.000 1.035 1250 T CA 1.056 63.459 62.100 0.506 0.000 1.142 1250 T CB -0.321 68.805 68.868 0.429 0.000 0.869 1250 T HN 0.441 nan 8.240 nan 0.000 0.442 1251 F N 1.556 121.690 119.950 0.307 0.000 2.216 1251 F HA -0.045 4.481 4.527 -0.000 0.000 0.300 1251 F C 1.977 177.884 175.800 0.177 0.000 1.085 1251 F CA 1.058 59.211 58.000 0.255 0.000 1.326 1251 F CB -0.149 39.029 39.000 0.295 0.000 1.027 1251 F HN 0.004 nan 8.300 nan 0.000 0.497 1252 M N -1.128 118.625 119.600 0.255 0.000 2.394 1252 M HA 0.007 4.486 4.480 -0.000 0.000 0.266 1252 M C 2.352 178.605 176.300 -0.078 0.000 1.098 1252 M CA 0.704 56.004 55.300 0.000 0.000 1.149 1252 M CB -1.282 31.290 32.600 -0.047 0.000 1.369 1252 M HN 0.125 nan 8.290 nan 0.000 0.450 1253 V N -0.064 119.836 119.914 -0.023 0.000 2.626 1253 V HA -0.190 3.929 4.120 -0.000 0.000 0.252 1253 V C 1.703 177.601 176.094 -0.326 0.000 1.067 1253 V CA 1.609 63.806 62.300 -0.172 0.000 1.081 1253 V CB -0.367 31.334 31.823 -0.203 0.000 0.686 1253 V HN 0.255 nan 8.190 nan 0.000 0.468 1254 F N -0.615 119.272 119.950 -0.104 0.000 2.714 1254 F HA 0.161 4.688 4.527 -0.000 0.000 0.294 1254 F C 2.263 178.072 175.800 0.014 0.000 1.120 1254 F CA 0.971 58.877 58.000 -0.157 0.000 1.398 1254 F CB -0.076 38.747 39.000 -0.295 0.000 1.120 1254 F HN 0.159 nan 8.300 nan 0.000 0.589 1255 Q N 0.364 120.172 119.800 0.012 0.000 2.187 1255 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 1255 Q C 2.188 178.192 176.000 0.006 0.000 0.957 1255 Q CA 1.182 56.947 55.803 -0.064 0.000 0.857 1255 Q CB 0.035 28.574 28.738 -0.331 0.000 0.929 1255 Q HN 0.341 nan 8.270 nan 0.000 0.453 1256 A N 0.532 123.333 122.820 -0.033 0.000 1.898 1256 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 1256 A C 1.934 179.583 177.584 0.109 0.000 1.183 1256 A CA 0.580 52.606 52.037 -0.019 0.000 0.622 1256 A CB -0.421 18.525 19.000 -0.089 0.000 0.824 1256 A HN 0.400 nan 8.150 nan 0.000 0.444 1257 L N -0.758 120.555 121.223 0.150 0.000 2.217 1257 L HA -0.105 4.234 4.340 -0.000 0.000 0.211 1257 L C 2.962 180.053 176.870 0.369 0.000 1.107 1257 L CA 0.823 55.829 54.840 0.277 0.000 0.783 1257 L CB -0.431 41.815 42.059 0.311 0.000 0.919 1257 L HN 0.444 nan 8.230 nan 0.000 0.442 1258 A N -0.339 122.694 122.820 0.354 0.000 1.872 1258 A HA -0.224 4.095 4.320 -0.000 0.000 0.214 1258 A C 2.208 179.847 177.584 0.093 0.000 1.187 1258 A CA 1.342 53.460 52.037 0.134 0.000 0.614 1258 A CB -0.405 18.721 19.000 0.210 0.000 0.826 1258 A HN 0.332 nan 8.150 nan 0.000 0.442 1259 Q N -1.272 118.621 119.800 0.154 0.000 2.170 1259 Q HA -0.202 4.138 4.340 -0.000 0.000 0.203 1259 Q C 1.714 177.793 176.000 0.131 0.000 0.976 1259 Q CA 2.012 57.888 55.803 0.122 0.000 0.858 1259 Q CB -0.688 28.114 28.738 0.106 0.000 0.907 1259 Q HN 0.738 nan 8.270 nan 0.000 0.433 1260 Y N 0.013 120.348 120.300 0.058 0.000 2.384 1260 Y HA -0.207 4.343 4.550 -0.000 0.000 0.289 1260 Y C 1.580 177.514 175.900 0.056 0.000 1.152 1260 Y CA 1.587 59.733 58.100 0.076 0.000 1.258 1260 Y CB 0.216 38.724 38.460 0.080 0.000 0.979 1260 Y HN 0.186 nan 8.280 nan 0.000 0.549 1261 Q N 0.146 119.919 119.800 -0.045 0.000 2.250 1261 Q HA -0.039 4.300 4.340 -0.000 0.000 0.200 1261 Q C 1.969 177.887 176.000 -0.137 0.000 0.941 1261 Q CA 0.971 56.685 55.803 -0.149 0.000 0.872 1261 Q CB -0.053 28.622 28.738 -0.106 0.000 0.965 1261 Q HN 0.523 nan 8.270 nan 0.000 0.480 1262 K N 1.174 121.528 120.400 -0.076 0.000 2.062 1262 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 1262 K C 1.223 177.795 176.600 -0.047 0.000 1.051 1262 K CA 1.486 57.740 56.287 -0.055 0.000 0.941 1262 K CB 0.008 32.498 32.500 -0.017 0.000 0.719 1262 K HN 0.237 nan 8.250 nan 0.000 0.440 1263 D N 0.399 120.792 120.400 -0.012 0.000 2.336 1263 D HA 0.038 4.678 4.640 -0.000 0.000 0.229 1263 D C 0.066 176.351 176.300 -0.026 0.000 1.061 1263 D CA -0.158 53.873 54.000 0.052 0.000 0.875 1263 D CB -0.068 40.844 40.800 0.186 0.000 0.904 1263 D HN 0.019 nan 8.370 nan 0.000 0.525 1264 A N 1.250 123.966 122.820 -0.173 0.000 2.488 1264 A HA 0.361 4.681 4.320 -0.000 0.000 0.249 1264 A C -1.223 176.194 177.584 -0.279 0.000 1.083 1264 A CA -0.838 51.024 52.037 -0.291 0.000 0.768 1264 A CB 0.527 19.316 19.000 -0.353 0.000 1.017 1264 A HN 0.091 nan 8.150 nan 0.000 0.496 1265 P HA 0.118 nan 4.420 nan 0.000 0.214 1265 P C -0.152 176.983 177.300 -0.275 0.000 1.163 1265 P CA 0.794 63.675 63.100 -0.366 0.000 0.881 1265 P CB 0.209 31.628 31.700 -0.468 0.000 0.775 1266 D N -4.755 115.535 120.400 -0.182 0.000 2.926 1266 D HA -0.162 4.477 4.640 -0.000 0.000 0.199 1266 D C -0.283 176.018 176.300 0.001 0.000 0.996 1266 D CA 1.220 55.166 54.000 -0.089 0.000 1.001 1266 D CB -2.520 38.213 40.800 -0.112 0.000 1.060 1266 D HN 0.480 nan 8.370 nan 0.000 0.444 1267 H N -0.155 118.817 119.070 -0.163 0.000 3.481 1267 H HA -0.177 4.379 4.556 -0.000 0.000 0.291 1267 H C 0.550 175.816 175.328 -0.103 0.000 0.790 1267 H CA 1.875 57.857 56.048 -0.111 0.000 0.877 1267 H CB -0.230 29.511 29.762 -0.036 0.000 1.460 1267 H HN 0.463 nan 8.280 nan 0.000 0.317 1268 Q N 3.022 122.602 119.800 -0.367 0.000 2.328 1268 Q HA 0.250 4.590 4.340 -0.000 0.000 0.429 1268 Q C -0.194 175.673 176.000 -0.223 0.000 0.492 1268 Q CA -0.325 55.342 55.803 -0.227 0.000 1.012 1268 Q CB 0.873 29.278 28.738 -0.555 0.000 0.861 1268 Q HN 0.820 nan 8.270 nan 0.000 0.364 1269 E N -0.012 120.104 120.200 -0.140 0.000 3.561 1269 E HA -0.090 4.259 4.350 -0.000 0.000 0.337 1269 E C -1.230 175.379 176.600 0.016 0.000 0.820 1269 E CA 0.157 56.509 56.400 -0.080 0.000 1.232 1269 E CB -2.200 27.426 29.700 -0.125 0.000 1.604 1269 E HN 0.472 nan 8.360 nan 0.000 0.391 1270 L N 1.796 123.093 121.223 0.123 0.000 2.546 1270 L HA 0.120 4.460 4.340 -0.000 0.000 0.272 1270 L C 0.700 177.596 176.870 0.044 0.000 1.327 1270 L CA 0.252 55.163 54.840 0.119 0.000 1.199 1270 L CB -0.608 41.577 42.059 0.210 0.000 1.401 1270 L HN 0.196 nan 8.230 nan 0.000 0.440 1271 N N 2.950 121.638 118.700 -0.020 0.000 3.040 1271 N HA 0.265 5.005 4.740 -0.000 0.000 0.305 1271 N C -0.666 174.760 175.510 -0.139 0.000 1.611 1271 N CA -0.219 52.764 53.050 -0.112 0.000 1.049 1271 N CB 0.290 38.767 38.487 -0.017 0.000 1.342 1271 N HN 0.370 nan 8.380 nan 0.000 0.497 1272 L N 0.202 121.334 121.223 -0.152 0.000 2.292 1272 L HA 0.344 4.684 4.340 -0.000 0.000 0.284 1272 L C 0.087 176.889 176.870 -0.113 0.000 1.065 1272 L CA -0.504 54.280 54.840 -0.093 0.000 0.806 1272 L CB 1.092 43.123 42.059 -0.047 0.000 1.175 1272 L HN 0.110 nan 8.230 nan 0.000 0.431 1273 D N 3.047 123.413 120.400 -0.057 0.000 2.434 1273 D HA 0.257 4.896 4.640 -0.000 0.000 0.275 1273 D C -0.775 175.529 176.300 0.006 0.000 1.172 1273 D CA -0.289 53.694 54.000 -0.028 0.000 0.916 1273 D CB 1.101 41.891 40.800 -0.017 0.000 1.041 1273 D HN 0.011 nan 8.370 nan 0.000 0.501 1274 V N 2.451 122.381 119.914 0.026 0.000 2.546 1274 V HA 0.447 4.567 4.120 -0.000 0.000 0.284 1274 V C 0.645 176.777 176.094 0.064 0.000 1.050 1274 V CA -0.422 61.906 62.300 0.047 0.000 0.981 1274 V CB 1.309 33.166 31.823 0.056 0.000 0.990 1274 V HN 0.621 nan 8.190 nan 0.000 0.474 1275 S N 5.684 121.420 115.700 0.060 0.000 2.536 1275 S HA 0.849 5.319 4.470 -0.000 0.000 0.298 1275 S C -1.048 173.601 174.600 0.082 0.000 1.083 1275 S CA -0.866 57.370 58.200 0.060 0.000 0.995 1275 S CB 1.649 64.873 63.200 0.039 0.000 1.058 1275 S HN 0.467 nan 8.310 nan 0.000 0.488 1276 L N 1.893 123.163 121.223 0.079 0.000 2.381 1276 L HA 0.551 4.891 4.340 -0.000 0.000 0.274 1276 L C -0.371 176.536 176.870 0.062 0.000 0.988 1276 L CA -0.421 54.473 54.840 0.090 0.000 0.824 1276 L CB 1.969 44.060 42.059 0.053 0.000 1.263 1276 L HN 0.796 nan 8.230 nan 0.000 0.410 1277 Q N 3.969 123.830 119.800 0.102 0.000 2.523 1277 Q HA 0.473 4.813 4.340 -0.000 0.000 0.251 1277 Q C -1.555 174.508 176.000 0.104 0.000 1.033 1277 Q CA -0.699 55.150 55.803 0.077 0.000 0.746 1277 Q CB 1.049 29.830 28.738 0.073 0.000 1.189 1277 Q HN 0.516 nan 8.270 nan 0.000 0.508 1278 L N 4.337 125.575 121.223 0.026 0.000 2.375 1278 L HA 0.439 4.779 4.340 -0.000 0.000 0.268 1278 L C -1.555 175.331 176.870 0.026 0.000 1.058 1278 L CA -2.019 52.831 54.840 0.017 0.000 0.803 1278 L CB 0.525 42.487 42.059 -0.162 0.000 1.212 1278 L HN 0.468 nan 8.230 nan 0.000 0.451 1279 P HA -0.176 nan 4.420 nan 0.000 0.220 1279 P C 1.355 178.660 177.300 0.009 0.000 1.144 1279 P CA 1.306 64.424 63.100 0.031 0.000 0.800 1279 P CB 0.056 31.778 31.700 0.037 0.000 0.772 1280 S N -0.314 115.381 115.700 -0.007 0.000 2.465 1280 S HA -0.213 4.257 4.470 -0.000 0.000 0.241 1280 S C 1.276 175.871 174.600 -0.008 0.000 1.000 1280 S CA 0.102 58.294 58.200 -0.014 0.000 0.964 1280 S CB -1.130 62.052 63.200 -0.030 0.000 0.763 1280 S HN 0.128 nan 8.310 nan 0.000 0.512 1281 R N 1.970 122.468 120.500 -0.003 0.000 2.897 1281 R HA -0.177 4.163 4.340 -0.000 0.000 0.149 1281 R C 0.166 176.465 176.300 -0.001 0.000 0.362 1281 R CA 0.945 57.046 56.100 0.002 0.000 0.555 1281 R CB -1.055 29.251 30.300 0.010 0.000 1.533 1281 R HN 0.711 nan 8.270 nan 0.000 0.507 1282 S N -0.659 115.038 115.700 -0.005 0.000 2.628 1282 S HA 0.066 4.535 4.470 -0.000 0.000 0.246 1282 S C 0.875 175.472 174.600 -0.006 0.000 1.062 1282 S CA 0.137 58.334 58.200 -0.005 0.000 1.028 1282 S CB 0.603 63.800 63.200 -0.006 0.000 0.985 1282 S HN 0.600 nan 8.310 nan 0.000 0.551 1283 S N 0.574 116.270 115.700 -0.007 0.000 3.756 1283 S HA 0.727 5.196 4.470 -0.000 0.000 0.183 1283 S C -0.761 173.834 174.600 -0.009 0.000 1.093 1283 S CA -0.362 57.833 58.200 -0.009 0.000 1.303 1283 S CB 0.753 63.946 63.200 -0.012 0.000 1.593 1283 S HN 0.137 nan 8.310 nan 0.000 0.841 1284 K N -0.268 120.124 120.400 -0.014 0.000 2.735 1284 K HA 0.571 4.891 4.320 -0.000 0.000 0.295 1284 K C -2.132 174.455 176.600 -0.022 0.000 1.052 1284 K CA -0.341 55.938 56.287 -0.013 0.000 0.853 1284 K CB 1.447 33.938 32.500 -0.014 0.000 1.535 1284 K HN 0.650 nan 8.250 nan 0.000 0.383 1285 I N 0.968 121.527 120.570 -0.019 0.000 2.644 1285 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 1285 I C -1.052 175.044 176.117 -0.035 0.000 1.180 1285 I CA -0.528 60.755 61.300 -0.028 0.000 1.040 1285 I CB 2.586 40.598 38.000 0.020 0.000 1.255 1285 I HN 0.381 nan 8.210 nan 0.000 0.422 1286 T N 3.600 118.076 114.554 -0.130 0.000 3.483 1286 T HA 0.358 4.707 4.350 -0.000 0.000 0.329 1286 T C -1.096 173.454 174.700 -0.250 0.000 1.014 1286 T CA -0.631 61.407 62.100 -0.104 0.000 1.056 1286 T CB 0.766 69.594 68.868 -0.068 0.000 1.090 1286 T HN 0.411 nan 8.240 nan 0.000 0.460 1287 H N 2.804 121.881 119.070 0.011 0.000 2.529 1287 H HA 0.483 5.039 4.556 -0.000 0.000 0.348 1287 H C 0.051 175.385 175.328 0.010 0.000 1.079 1287 H CA -0.821 55.236 56.048 0.014 0.000 1.198 1287 H CB 2.033 31.800 29.762 0.008 0.000 1.521 1287 H HN 0.562 nan 8.280 nan 0.000 0.514 1288 R N 2.863 123.439 120.500 0.127 0.000 2.338 1288 R HA 0.427 4.767 4.340 -0.000 0.000 0.317 1288 R C -0.806 175.520 176.300 0.043 0.000 0.968 1288 R CA -0.744 55.386 56.100 0.050 0.000 0.849 1288 R CB 1.209 31.571 30.300 0.104 0.000 1.128 1288 R HN 0.345 nan 8.270 nan 0.000 0.448 1289 I N 5.332 125.862 120.570 -0.066 0.000 2.395 1289 I HA 0.212 4.382 4.170 -0.000 0.000 0.282 1289 I C 0.396 176.462 176.117 -0.085 0.000 1.107 1289 I CA -0.453 60.828 61.300 -0.032 0.000 1.210 1289 I CB -0.265 37.723 38.000 -0.020 0.000 1.456 1289 I HN 0.633 nan 8.210 nan 0.000 0.504 1290 H N 3.313 122.421 119.070 0.063 0.000 2.534 1290 H HA 0.059 4.615 4.556 -0.000 0.000 0.364 1290 H C 0.690 176.098 175.328 0.132 0.000 1.328 1290 H CA -0.275 55.834 56.048 0.101 0.000 1.415 1290 H CB 1.523 31.341 29.762 0.094 0.000 1.573 1290 H HN 0.548 nan 8.280 nan 0.000 0.601 1291 W N 1.800 123.181 121.300 0.134 0.000 1.011 1291 W HA -0.271 4.389 4.660 -0.000 0.000 0.252 1291 W C 1.566 178.117 176.519 0.053 0.000 0.657 1291 W CA 1.575 58.958 57.345 0.062 0.000 0.871 1291 W CB -0.179 29.306 29.460 0.041 0.000 0.937 1291 W HN 0.830 nan 8.180 nan 0.000 0.568 1292 E N 0.735 120.776 120.200 -0.265 0.000 2.786 1292 E HA -0.461 3.889 4.350 -0.000 0.000 0.237 1292 E C 1.802 178.240 176.600 -0.271 0.000 0.950 1292 E CA 3.298 59.529 56.400 -0.282 0.000 1.380 1292 E CB -1.961 27.761 29.700 0.036 0.000 1.351 1292 E HN 0.436 nan 8.360 nan 0.000 0.484 1293 S N 2.579 118.218 115.700 -0.101 0.000 2.354 1293 S HA -0.044 4.426 4.470 -0.000 0.000 0.219 1293 S C 2.052 176.583 174.600 -0.116 0.000 1.035 1293 S CA 3.185 61.338 58.200 -0.078 0.000 1.037 1293 S CB -1.060 62.137 63.200 -0.004 0.000 0.956 1293 S HN 1.290 nan 8.310 nan 0.000 0.428 1294 A N 2.087 124.863 122.820 -0.075 0.000 4.529 1294 A HA -0.414 3.905 4.320 -0.000 0.000 0.369 1294 A C 2.288 179.824 177.584 -0.080 0.000 1.648 1294 A CA 4.195 56.183 52.037 -0.081 0.000 0.786 1294 A CB -2.525 16.374 19.000 -0.168 0.000 1.518 1294 A HN 1.683 nan 8.150 nan 0.000 0.515 1295 S N -0.084 115.543 115.700 -0.122 0.000 2.434 1295 S HA -0.124 4.346 4.470 -0.000 0.000 0.243 1295 S C 0.898 175.460 174.600 -0.064 0.000 1.045 1295 S CA 1.537 59.682 58.200 -0.092 0.000 1.019 1295 S CB -1.003 62.130 63.200 -0.112 0.000 0.811 1295 S HN 1.834 nan 8.310 nan 0.000 0.485 1296 L N 2.163 123.349 121.223 -0.061 0.000 2.776 1296 L HA 0.058 4.398 4.340 -0.000 0.000 0.283 1296 L C -0.591 176.256 176.870 -0.039 0.000 1.194 1296 L CA 0.393 55.208 54.840 -0.042 0.000 0.947 1296 L CB -0.342 41.700 42.059 -0.027 0.000 1.255 1296 L HN 0.238 nan 8.230 nan 0.000 0.481 1297 L N 6.895 128.094 121.223 -0.040 0.000 2.385 1297 L HA 0.321 4.661 4.340 -0.000 0.000 0.285 1297 L C 0.565 177.399 176.870 -0.061 0.000 1.125 1297 L CA 0.400 55.213 54.840 -0.044 0.000 0.890 1297 L CB 0.053 42.090 42.059 -0.037 0.000 1.251 1297 L HN 0.515 nan 8.230 nan 0.000 0.445 1298 R N 1.744 122.192 120.500 -0.086 0.000 2.340 1298 R HA 0.559 4.898 4.340 -0.000 0.000 0.300 1298 R C 0.055 176.250 176.300 -0.174 0.000 1.069 1298 R CA -0.195 55.809 56.100 -0.160 0.000 0.984 1298 R CB 0.975 31.129 30.300 -0.243 0.000 1.003 1298 R HN 0.691 nan 8.270 nan 0.000 0.459 1299 S N 1.570 117.166 115.700 -0.173 0.000 2.570 1299 S HA 0.572 5.042 4.470 -0.000 0.000 0.286 1299 S C -0.827 173.692 174.600 -0.136 0.000 1.099 1299 S CA -1.131 56.993 58.200 -0.126 0.000 0.913 1299 S CB 2.667 65.824 63.200 -0.072 0.000 1.085 1299 S HN 0.376 nan 8.310 nan 0.000 0.480 1300 E N 0.839 120.978 120.200 -0.103 0.000 2.314 1300 E HA 0.572 4.922 4.350 -0.000 0.000 0.272 1300 E C -1.411 175.145 176.600 -0.074 0.000 0.884 1300 E CA -0.535 55.813 56.400 -0.087 0.000 0.753 1300 E CB 2.215 31.858 29.700 -0.096 0.000 1.213 1300 E HN 0.742 nan 8.360 nan 0.000 0.432 1301 E N 0.400 120.564 120.200 -0.060 0.000 2.222 1301 E HA 0.550 4.900 4.350 -0.000 0.000 0.267 1301 E C -0.963 175.604 176.600 -0.055 0.000 0.884 1301 E CA -0.758 55.613 56.400 -0.048 0.000 0.764 1301 E CB 1.932 31.616 29.700 -0.027 0.000 1.169 1301 E HN 0.409 nan 8.360 nan 0.000 0.413 1302 T N -1.080 113.442 114.554 -0.054 0.000 2.937 1302 T HA 0.369 4.719 4.350 -0.000 0.000 0.297 1302 T C 0.221 174.909 174.700 -0.020 0.000 0.991 1302 T CA -1.070 61.000 62.100 -0.050 0.000 0.990 1302 T CB 1.126 69.942 68.868 -0.087 0.000 0.991 1302 T HN 0.341 nan 8.240 nan 0.000 0.440 1303 K N 1.082 121.476 120.400 -0.009 0.000 2.555 1303 K HA 0.077 4.397 4.320 -0.000 0.000 0.193 1303 K C 0.610 177.216 176.600 0.010 0.000 1.032 1303 K CA 0.460 56.751 56.287 0.007 0.000 1.004 1303 K CB 0.281 32.787 32.500 0.010 0.000 0.804 1303 K HN 0.697 nan 8.250 nan 0.000 0.496 1304 E N 1.210 121.411 120.200 0.002 0.000 2.238 1304 E HA 0.098 4.448 4.350 -0.000 0.000 0.267 1304 E C -1.309 175.299 176.600 0.012 0.000 0.887 1304 E CA -0.809 55.595 56.400 0.006 0.000 0.769 1304 E CB 1.069 30.771 29.700 0.003 0.000 1.187 1304 E HN -0.104 nan 8.360 nan 0.000 0.416 1305 N N 3.696 122.406 118.700 0.016 0.000 2.415 1305 N HA 0.045 4.785 4.740 -0.000 0.000 0.250 1305 N C -1.167 174.372 175.510 0.047 0.000 1.127 1305 N CA 0.216 53.282 53.050 0.027 0.000 0.945 1305 N CB 0.467 38.952 38.487 -0.003 0.000 1.196 1305 N HN 0.358 nan 8.380 nan 0.000 0.499 1306 E N 1.215 121.473 120.200 0.096 0.000 2.281 1306 E HA 0.506 4.856 4.350 -0.000 0.000 0.262 1306 E C -0.287 176.442 176.600 0.215 0.000 0.933 1306 E CA -1.057 55.419 56.400 0.128 0.000 0.809 1306 E CB 1.586 31.354 29.700 0.114 0.000 1.242 1306 E HN 0.565 nan 8.360 nan 0.000 0.418 1307 G N 1.619 110.514 108.800 0.157 0.000 2.547 1307 G HA2 0.512 4.472 3.960 -0.000 0.000 0.327 1307 G HA3 0.512 4.472 3.960 -0.000 0.000 0.327 1307 G C -0.525 174.456 174.900 0.135 0.000 1.118 1307 G CA -0.444 44.709 45.100 0.088 0.000 1.022 1307 G HN 0.283 nan 8.290 nan 0.000 0.464 1308 F N 0.441 120.389 119.950 -0.003 0.000 2.611 1308 F HA 0.911 5.438 4.527 -0.000 0.000 0.374 1308 F C -0.030 175.771 175.800 0.002 0.000 1.110 1308 F CA -1.243 56.757 58.000 0.001 0.000 1.090 1308 F CB 1.504 40.507 39.000 0.004 0.000 1.388 1308 F HN 0.187 nan 8.300 nan 0.000 0.501 1309 T N 1.061 115.704 114.554 0.149 0.000 2.886 1309 T HA 0.579 4.928 4.350 -0.000 0.000 0.292 1309 T C -1.134 173.647 174.700 0.135 0.000 1.012 1309 T CA -0.600 61.520 62.100 0.034 0.000 0.982 1309 T CB 1.895 70.779 68.868 0.027 0.000 1.018 1309 T HN 0.555 nan 8.240 nan 0.000 0.451 1310 V N 2.786 122.744 119.914 0.074 0.000 2.483 1310 V HA 0.643 4.762 4.120 -0.000 0.000 0.295 1310 V C 0.018 176.146 176.094 0.057 0.000 1.035 1310 V CA -0.616 61.747 62.300 0.105 0.000 0.896 1310 V CB 1.936 33.823 31.823 0.107 0.000 0.986 1310 V HN 1.006 nan 8.190 nan 0.000 0.447 1311 T N 4.008 118.597 114.554 0.059 0.000 2.864 1311 T HA 0.690 5.039 4.350 -0.000 0.000 0.299 1311 T C -0.034 174.686 174.700 0.034 0.000 1.011 1311 T CA -0.209 61.914 62.100 0.038 0.000 0.975 1311 T CB 1.423 70.312 68.868 0.034 0.000 0.962 1311 T HN 0.933 nan 8.240 nan 0.000 0.448 1312 A N 2.946 125.781 122.820 0.026 0.000 2.269 1312 A HA 0.904 5.224 4.320 -0.000 0.000 0.319 1312 A C -0.159 177.433 177.584 0.012 0.000 1.110 1312 A CA -0.618 51.431 52.037 0.020 0.000 0.847 1312 A CB 1.026 20.036 19.000 0.017 0.000 1.161 1312 A HN 0.798 nan 8.150 nan 0.000 0.497 1313 E N -0.599 119.605 120.200 0.005 0.000 2.378 1313 E HA 0.487 4.837 4.350 -0.000 0.000 0.283 1313 E C -0.392 176.203 176.600 -0.008 0.000 0.979 1313 E CA 0.094 56.495 56.400 0.002 0.000 0.795 1313 E CB 1.571 31.274 29.700 0.005 0.000 1.221 1313 E HN 2.250 nan 8.360 nan 0.000 0.428 1314 G N 2.323 111.120 108.800 -0.005 0.000 2.498 1314 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.651 1314 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.651 1314 G C -1.251 173.643 174.900 -0.009 0.000 1.284 1314 G CA -0.484 44.610 45.100 -0.011 0.000 0.950 1314 G HN 0.487 nan 8.290 nan 0.000 0.511 1315 K N -0.019 120.373 120.400 -0.013 0.000 2.098 1315 K HA 0.763 5.083 4.320 -0.000 0.000 0.244 1315 K C 0.783 177.379 176.600 -0.007 0.000 1.014 1315 K CA 0.932 57.212 56.287 -0.012 0.000 0.917 1315 K CB 0.881 33.367 32.500 -0.024 0.000 1.072 1315 K HN 2.443 nan 8.250 nan 0.000 0.477 1316 G N -0.032 108.768 108.800 0.000 0.000 2.619 1316 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.686 1316 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.686 1316 G C -1.566 173.352 174.900 0.031 0.000 1.256 1316 G CA -0.850 44.263 45.100 0.022 0.000 0.826 1316 G HN 0.521 nan 8.290 nan 0.000 0.619 1317 Q N -0.143 119.685 119.800 0.048 0.000 2.321 1317 Q HA 0.670 5.010 4.340 -0.000 0.000 0.270 1317 Q C 0.279 176.301 176.000 0.037 0.000 1.032 1317 Q CA -0.170 55.659 55.803 0.043 0.000 0.784 1317 Q CB 1.661 30.433 28.738 0.057 0.000 1.264 1317 Q HN 1.542 nan 8.270 nan 0.000 0.448 1318 G N 1.102 109.918 108.800 0.025 0.000 2.949 1318 G HA2 0.708 4.668 3.960 -0.000 0.000 0.285 1318 G HA3 0.708 4.668 3.960 -0.000 0.000 0.285 1318 G C -1.258 173.651 174.900 0.016 0.000 1.395 1318 G CA -0.461 44.650 45.100 0.018 0.000 0.901 1318 G HN 0.480 nan 8.290 nan 0.000 0.519 1319 T N 0.023 114.584 114.554 0.011 0.000 2.893 1319 T HA 0.526 4.876 4.350 -0.000 0.000 0.293 1319 T C -1.440 173.267 174.700 0.011 0.000 1.027 1319 T CA -0.301 61.806 62.100 0.010 0.000 0.988 1319 T CB 1.818 70.691 68.868 0.008 0.000 1.043 1319 T HN 0.476 nan 8.240 nan 0.000 0.461 1320 L N 3.733 124.964 121.223 0.014 0.000 2.342 1320 L HA 0.694 5.034 4.340 -0.000 0.000 0.276 1320 L C -0.436 176.447 176.870 0.021 0.000 0.997 1320 L CA -0.289 54.563 54.840 0.021 0.000 0.838 1320 L CB 1.254 43.330 42.059 0.029 0.000 1.224 1320 L HN 0.719 nan 8.230 nan 0.000 0.416 1321 S N 4.167 119.881 115.700 0.023 0.000 2.596 1321 S HA 0.820 5.289 4.470 -0.000 0.000 0.318 1321 S C -0.779 173.844 174.600 0.037 0.000 1.097 1321 S CA -0.706 57.508 58.200 0.024 0.000 1.080 1321 S CB 1.464 64.673 63.200 0.015 0.000 0.991 1321 S HN 0.335 nan 8.310 nan 0.000 0.471 1322 V N 3.737 123.680 119.914 0.048 0.000 2.417 1322 V HA 0.644 4.764 4.120 -0.000 0.000 0.291 1322 V C -0.509 175.618 176.094 0.056 0.000 1.024 1322 V CA -0.573 61.770 62.300 0.072 0.000 0.861 1322 V CB 1.480 33.376 31.823 0.122 0.000 0.985 1322 V HN 0.857 nan 8.190 nan 0.000 0.436 1323 V N 3.611 123.557 119.914 0.054 0.000 2.709 1323 V HA 0.641 4.760 4.120 -0.000 0.000 0.308 1323 V C 0.081 176.210 176.094 0.059 0.000 1.062 1323 V CA -0.562 61.768 62.300 0.050 0.000 0.901 1323 V CB 2.535 34.380 31.823 0.036 0.000 1.003 1323 V HN 0.978 nan 8.190 nan 0.000 0.425 1324 T N 1.878 116.477 114.554 0.074 0.000 2.895 1324 T HA 0.803 5.153 4.350 -0.000 0.000 0.283 1324 T C -0.528 174.254 174.700 0.137 0.000 1.014 1324 T CA -0.649 61.506 62.100 0.092 0.000 1.037 1324 T CB 1.911 70.826 68.868 0.078 0.000 1.006 1324 T HN 0.614 nan 8.240 nan 0.000 0.468 1325 M N 3.485 123.164 119.600 0.132 0.000 2.259 1325 M HA 0.596 5.076 4.480 -0.000 0.000 0.304 1325 M C -1.914 174.479 176.300 0.154 0.000 1.019 1325 M CA -0.851 54.509 55.300 0.101 0.000 0.922 1325 M CB 1.321 33.927 32.600 0.010 0.000 1.600 1325 M HN 0.998 nan 8.290 nan 0.000 0.433 1326 Y N 0.633 120.875 120.300 -0.098 0.000 2.840 1326 Y HA 0.527 5.077 4.550 -0.000 0.000 0.324 1326 Y C -1.492 174.293 175.900 -0.192 0.000 1.378 1326 Y CA -1.245 56.795 58.100 -0.099 0.000 1.077 1326 Y CB 1.106 39.563 38.460 -0.006 0.000 1.361 1326 Y HN 0.508 nan 8.280 nan 0.000 0.459 1327 H N 1.688 120.759 119.070 0.001 0.000 2.685 1327 H HA 0.628 5.184 4.556 -0.000 0.000 0.286 1327 H C -0.200 175.090 175.328 -0.063 0.000 1.102 1327 H CA -0.135 55.853 56.048 -0.099 0.000 1.254 1327 H CB 1.048 30.819 29.762 0.016 0.000 1.397 1327 H HN 0.876 nan 8.280 nan 0.000 0.473 1328 A N 3.630 126.294 122.820 -0.261 0.000 2.346 1328 A HA 0.126 4.446 4.320 -0.000 0.000 0.252 1328 A C 0.632 178.263 177.584 0.077 0.000 1.089 1328 A CA -0.521 51.507 52.037 -0.016 0.000 0.797 1328 A CB 0.491 19.398 19.000 -0.156 0.000 1.047 1328 A HN 0.668 nan 8.150 nan 0.000 0.494 1329 K N 1.554 122.022 120.400 0.113 0.000 2.250 1329 K HA 0.414 4.734 4.320 -0.000 0.000 0.285 1329 K C -0.143 176.488 176.600 0.051 0.000 1.097 1329 K CA -0.078 56.256 56.287 0.078 0.000 0.913 1329 K CB 0.220 32.767 32.500 0.078 0.000 1.179 1329 K HN 0.712 nan 8.250 nan 0.000 0.462 1330 A N 4.971 127.814 122.820 0.038 0.000 2.396 1330 A HA 0.106 4.425 4.320 -0.000 0.000 0.279 1330 A C -0.008 177.593 177.584 0.028 0.000 1.165 1330 A CA -0.254 51.800 52.037 0.028 0.000 0.824 1330 A CB 0.033 19.047 19.000 0.024 0.000 1.100 1330 A HN 0.806 nan 8.150 nan 0.000 0.516 1331 K N 2.736 123.151 120.400 0.026 0.000 2.978 1331 K HA 0.034 4.353 4.320 -0.000 0.000 0.261 1331 K C -0.497 176.116 176.600 0.022 0.000 1.181 1331 K CA 0.206 56.507 56.287 0.024 0.000 1.164 1331 K CB -0.408 32.106 32.500 0.023 0.000 1.331 1331 K HN 0.729 nan 8.250 nan 0.000 0.266 1332 D N 0.355 120.769 120.400 0.023 0.000 2.811 1332 D HA -0.257 4.383 4.640 -0.000 0.000 0.231 1332 D C 0.137 176.450 176.300 0.022 0.000 1.157 1332 D CA 0.920 54.933 54.000 0.022 0.000 0.716 1332 D CB -1.222 39.590 40.800 0.021 0.000 1.077 1332 D HN 0.611 nan 8.370 nan 0.000 0.428 1333 Q N 0.115 119.928 119.800 0.021 0.000 2.326 1333 Q HA -0.013 4.327 4.340 -0.000 0.000 0.314 1333 Q C 0.205 176.217 176.000 0.020 0.000 1.091 1333 Q CA -0.347 55.467 55.803 0.018 0.000 0.974 1333 Q CB 0.431 29.179 28.738 0.016 0.000 1.220 1333 Q HN 0.173 nan 8.270 nan 0.000 0.398 1334 L N 5.247 126.481 121.223 0.018 0.000 2.771 1334 L HA -0.099 4.241 4.340 -0.000 0.000 0.278 1334 L C 1.201 178.086 176.870 0.026 0.000 1.175 1334 L CA 1.475 56.327 54.840 0.021 0.000 0.973 1334 L CB -0.268 41.800 42.059 0.014 0.000 1.286 1334 L HN 1.015 nan 8.230 nan 0.000 0.481 1335 T N -0.334 114.239 114.554 0.033 0.000 3.085 1335 T HA -0.060 4.289 4.350 -0.000 0.000 0.263 1335 T C 1.754 176.480 174.700 0.044 0.000 1.127 1335 T CA 0.625 62.746 62.100 0.036 0.000 1.103 1335 T CB -0.143 68.748 68.868 0.039 0.000 0.921 1335 T HN 0.692 nan 8.240 nan 0.000 0.510 1336 c N 1.562 120.192 118.600 0.050 0.000 2.611 1336 c HA 0.190 4.760 4.570 -0.000 0.000 0.283 1336 c C 0.732 174.865 174.090 0.072 0.000 1.340 1336 c CA -0.129 56.246 56.329 0.076 0.000 1.716 1336 c CB -1.096 41.466 42.510 0.087 0.000 2.134 1336 c HN 0.850 nan 8.230 nan 0.000 0.526 1337 N N 1.539 120.257 118.700 0.030 0.000 2.752 1337 N HA -0.241 4.498 4.740 -0.000 0.000 0.308 1337 N C -0.235 175.236 175.510 -0.065 0.000 1.201 1337 N CA 1.284 54.322 53.050 -0.020 0.000 0.717 1337 N CB -0.993 37.482 38.487 -0.019 0.000 1.028 1337 N HN 0.824 nan 8.380 nan 0.000 0.558 1338 K N -1.502 118.782 120.400 -0.194 0.000 3.368 1338 K HA -0.066 4.254 4.320 -0.000 0.000 0.225 1338 K C -1.114 175.092 176.600 -0.656 0.000 1.163 1338 K CA 0.461 56.426 56.287 -0.537 0.000 0.910 1338 K CB -1.201 31.093 32.500 -0.344 0.000 1.663 1338 K HN 0.435 nan 8.250 nan 0.000 0.611 1339 F N 1.014 120.899 119.950 -0.109 0.000 2.623 1339 F HA 0.309 4.835 4.527 -0.000 0.000 0.323 1339 F C -0.887 174.916 175.800 0.004 0.000 1.158 1339 F CA -1.038 56.962 58.000 -0.001 0.000 1.030 1339 F CB 1.695 40.731 39.000 0.060 0.000 1.280 1339 F HN -0.224 nan 8.300 nan 0.000 0.474 1340 D N 3.121 123.637 120.400 0.195 0.000 2.198 1340 D HA 0.686 5.326 4.640 -0.000 0.000 0.247 1340 D C -1.324 175.060 176.300 0.141 0.000 1.010 1340 D CA -0.256 53.821 54.000 0.127 0.000 0.880 1340 D CB 2.516 43.358 40.800 0.070 0.000 1.209 1340 D HN 0.332 nan 8.370 nan 0.000 0.451 1341 L N 1.433 122.710 121.223 0.091 0.000 2.562 1341 L HA 0.373 4.713 4.340 -0.000 0.000 0.266 1341 L C -1.723 175.172 176.870 0.040 0.000 0.949 1341 L CA -0.491 54.388 54.840 0.065 0.000 0.879 1341 L CB 1.619 43.708 42.059 0.049 0.000 1.278 1341 L HN 0.148 nan 8.230 nan 0.000 0.404 1342 K N 3.984 124.400 120.400 0.028 0.000 2.450 1342 K HA 0.763 5.083 4.320 -0.000 0.000 0.257 1342 K C -1.269 175.327 176.600 -0.006 0.000 0.953 1342 K CA -0.411 55.886 56.287 0.017 0.000 0.844 1342 K CB 2.367 34.876 32.500 0.015 0.000 1.103 1342 K HN 0.309 nan 8.250 nan 0.000 0.429 1343 V N 2.684 122.597 119.914 -0.003 0.000 2.435 1343 V HA 0.526 4.646 4.120 -0.000 0.000 0.290 1343 V C -0.369 175.696 176.094 -0.048 0.000 1.030 1343 V CA -0.601 61.670 62.300 -0.049 0.000 0.881 1343 V CB 1.830 33.641 31.823 -0.021 0.000 0.983 1343 V HN 0.783 nan 8.190 nan 0.000 0.445 1344 T N 5.536 120.017 114.554 -0.121 0.000 2.876 1344 T HA 0.668 5.018 4.350 -0.000 0.000 0.289 1344 T C -0.887 173.706 174.700 -0.178 0.000 1.014 1344 T CA -0.293 61.747 62.100 -0.101 0.000 0.986 1344 T CB 1.891 70.710 68.868 -0.082 0.000 1.021 1344 T HN 0.480 nan 8.240 nan 0.000 0.458 1345 I N 2.912 123.413 120.570 -0.116 0.000 2.439 1345 I HA 0.500 4.670 4.170 -0.000 0.000 0.283 1345 I C -1.058 174.993 176.117 -0.110 0.000 1.023 1345 I CA -0.478 60.732 61.300 -0.150 0.000 1.100 1345 I CB 0.667 38.623 38.000 -0.073 0.000 1.238 1345 I HN 0.467 nan 8.210 nan 0.000 0.445 1346 K N 7.583 127.905 120.400 -0.130 0.000 2.375 1346 K HA 0.646 4.965 4.320 -0.000 0.000 0.249 1346 K C -2.681 173.864 176.600 -0.093 0.000 0.942 1346 K CA -1.849 54.383 56.287 -0.092 0.000 0.806 1346 K CB 1.614 34.067 32.500 -0.078 0.000 1.227 1346 K HN 0.257 nan 8.250 nan 0.000 0.430 1347 P HA -0.003 nan 4.420 nan 0.000 0.269 1347 P C -0.978 176.295 177.300 -0.044 0.000 1.209 1347 P CA -0.121 62.952 63.100 -0.046 0.000 0.776 1347 P CB 0.640 32.326 31.700 -0.024 0.000 0.876 1348 A N 4.323 127.121 122.820 -0.037 0.000 2.332 1348 A HA 0.489 4.809 4.320 -0.000 0.000 0.258 1348 A C -1.579 175.998 177.584 -0.012 0.000 1.087 1348 A CA -0.789 51.229 52.037 -0.031 0.000 0.802 1348 A CB -1.547 17.436 19.000 -0.028 0.000 1.042 1348 A HN 0.469 nan 8.150 nan 0.000 0.489 1360 N N 1.671 120.407 118.700 0.061 0.000 2.166 1360 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 1360 N C -0.162 175.411 175.510 0.106 0.000 1.019 1360 N CA 1.899 55.003 53.050 0.091 0.000 0.856 1360 N CB -0.567 38.003 38.487 0.137 0.000 0.993 1360 N HN 0.534 nan 8.380 nan 0.000 0.426 1361 T N 0.655 115.291 114.554 0.136 0.000 0.626 1361 T HA -0.255 4.094 4.350 -0.000 0.000 0.764 1361 T C -0.125 174.570 174.700 -0.009 0.000 0.991 1361 T CA 0.582 62.705 62.100 0.039 0.000 4.028 1361 T CB -0.767 68.112 68.868 0.018 0.000 2.274 1361 T HN 0.118 nan 8.240 nan 0.000 0.391 1362 M N 4.490 124.061 119.600 -0.049 0.000 2.852 1362 M HA 0.686 5.166 4.480 -0.000 0.000 0.301 1362 M C 0.058 176.242 176.300 -0.194 0.000 1.229 1362 M CA -1.168 54.059 55.300 -0.122 0.000 0.832 1362 M CB 1.884 34.381 32.600 -0.173 0.000 1.726 1362 M HN 0.473 nan 8.290 nan 0.000 0.497 1363 I N 1.722 122.164 120.570 -0.213 0.000 2.465 1363 I HA 0.359 4.529 4.170 -0.000 0.000 0.291 1363 I C -1.401 174.495 176.117 -0.369 0.000 1.014 1363 I CA -0.879 60.262 61.300 -0.265 0.000 1.093 1363 I CB 1.971 39.860 38.000 -0.184 0.000 1.267 1363 I HN 0.348 nan 8.210 nan 0.000 0.431 1364 L N 6.916 127.798 121.223 -0.569 0.000 2.276 1364 L HA 0.443 4.783 4.340 -0.000 0.000 0.286 1364 L C -0.331 176.182 176.870 -0.595 0.000 1.024 1364 L CA 0.061 54.477 54.840 -0.706 0.000 0.826 1364 L CB 1.085 42.526 42.059 -1.031 0.000 1.211 1364 L HN 0.585 nan 8.230 nan 0.000 0.422 1365 E N 5.334 125.304 120.200 -0.384 0.000 2.171 1365 E HA 0.528 4.878 4.350 -0.000 0.000 0.271 1365 E C -1.357 175.133 176.600 -0.184 0.000 0.916 1365 E CA -0.560 55.700 56.400 -0.234 0.000 0.774 1365 E CB 1.204 30.811 29.700 -0.156 0.000 1.128 1365 E HN 0.659 nan 8.360 nan 0.000 0.403 1366 I N 4.328 124.833 120.570 -0.108 0.000 2.436 1366 I HA 0.364 4.534 4.170 -0.000 0.000 0.289 1366 I C -0.846 175.262 176.117 -0.016 0.000 1.010 1366 I CA -0.877 60.387 61.300 -0.060 0.000 1.098 1366 I CB 1.611 39.595 38.000 -0.026 0.000 1.266 1366 I HN 0.525 nan 8.210 nan 0.000 0.434 1367 c N 3.793 122.390 118.600 -0.005 0.000 2.408 1367 c HA 0.800 5.369 4.570 -0.000 0.000 0.321 1367 c C 0.329 174.447 174.090 0.047 0.000 1.245 1367 c CA -0.439 55.902 56.329 0.019 0.000 1.523 1367 c CB 1.602 44.118 42.510 0.010 0.000 2.178 1367 c HN 0.806 nan 8.230 nan 0.000 0.488 1368 T N 2.426 117.026 114.554 0.076 0.000 2.883 1368 T HA 0.759 5.109 4.350 -0.000 0.000 0.301 1368 T C -1.458 173.325 174.700 0.140 0.000 1.158 1368 T CA -0.506 61.673 62.100 0.131 0.000 1.007 1368 T CB 1.506 70.484 68.868 0.183 0.000 1.186 1368 T HN 0.887 nan 8.240 nan 0.000 0.499 1369 R N 1.942 122.541 120.500 0.165 0.000 2.604 1369 R HA 0.414 4.753 4.340 -0.000 0.000 0.270 1369 R C -2.102 174.232 176.300 0.057 0.000 1.052 1369 R CA -0.742 55.426 56.100 0.113 0.000 0.902 1369 R CB 1.459 31.796 30.300 0.062 0.000 1.233 1369 R HN 0.708 nan 8.270 nan 0.000 0.455 1370 Y N 3.090 123.302 120.300 -0.147 0.000 2.336 1370 Y HA 0.285 4.834 4.550 -0.000 0.000 0.335 1370 Y C 0.344 176.138 175.900 -0.178 0.000 1.046 1370 Y CA -0.156 57.714 58.100 -0.384 0.000 1.198 1370 Y CB 1.018 39.261 38.460 -0.361 0.000 1.182 1370 Y HN 0.521 nan 8.280 nan 0.000 0.502 1371 R N 4.298 124.400 120.500 -0.664 0.000 3.192 1371 R HA 0.213 4.553 4.340 -0.000 0.000 0.264 1371 R C 0.249 176.281 176.300 -0.445 0.000 1.464 1371 R CA 0.135 55.995 56.100 -0.400 0.000 1.309 1371 R CB -0.329 29.790 30.300 -0.301 0.000 1.283 1371 R HN 0.798 nan 8.270 nan 0.000 0.584 1372 G N -0.751 107.815 108.800 -0.389 0.000 2.735 1372 G HA2 0.115 4.075 3.960 -0.000 0.000 0.301 1372 G HA3 0.115 4.075 3.960 -0.000 0.000 0.301 1372 G C -0.263 174.583 174.900 -0.090 0.000 1.279 1372 G CA -0.534 44.501 45.100 -0.108 0.000 1.019 1372 G HN -0.006 nan 8.290 nan 0.000 0.497 1373 D N -0.657 119.656 120.400 -0.144 0.000 2.305 1373 D HA 0.082 4.722 4.640 -0.000 0.000 0.206 1373 D C 0.732 176.664 176.300 -0.612 0.000 0.974 1373 D CA 0.848 54.645 54.000 -0.339 0.000 0.871 1373 D CB 0.383 41.094 40.800 -0.149 0.000 0.947 1373 D HN 0.187 nan 8.370 nan 0.000 0.516 1374 Q N 0.739 120.355 119.800 -0.306 0.000 2.301 1374 Q HA 0.283 4.623 4.340 -0.000 0.000 0.267 1374 Q C -0.842 175.105 176.000 -0.088 0.000 1.035 1374 Q CA -0.613 55.069 55.803 -0.201 0.000 0.856 1374 Q CB 1.213 29.901 28.738 -0.083 0.000 1.337 1374 Q HN -0.058 nan 8.270 nan 0.000 0.450 1375 D N 1.453 121.880 120.400 0.045 0.000 2.349 1375 D HA 0.241 4.880 4.640 -0.000 0.000 0.266 1375 D C -0.072 176.151 176.300 -0.129 0.000 1.293 1375 D CA 0.226 54.264 54.000 0.063 0.000 0.926 1375 D CB 0.327 41.185 40.800 0.097 0.000 1.090 1375 D HN 0.520 nan 8.370 nan 0.000 0.502 1376 A N 2.969 125.552 122.820 -0.395 0.000 2.587 1376 A HA 0.235 4.554 4.320 -0.000 0.000 0.233 1376 A C 1.456 178.956 177.584 -0.140 0.000 1.049 1376 A CA 0.149 51.850 52.037 -0.559 0.000 0.754 1376 A CB -0.041 18.361 19.000 -0.998 0.000 0.977 1376 A HN 0.646 nan 8.150 nan 0.000 0.509 1377 T N 1.246 115.796 114.554 -0.006 0.000 5.430 1377 T HA 0.196 4.546 4.350 -0.000 0.000 0.400 1377 T C 0.857 175.625 174.700 0.114 0.000 0.998 1377 T CA 0.633 62.785 62.100 0.087 0.000 0.892 1377 T CB -0.102 68.879 68.868 0.188 0.000 1.448 1377 T HN 0.671 nan 8.240 nan 0.000 0.414 1378 M N 1.733 121.417 119.600 0.140 0.000 2.220 1378 M HA 0.342 4.822 4.480 -0.000 0.000 0.343 1378 M C -0.873 175.530 176.300 0.172 0.000 1.470 1378 M CA -0.022 55.327 55.300 0.082 0.000 1.161 1378 M CB -0.125 32.421 32.600 -0.090 0.000 1.737 1378 M HN 0.607 nan 8.290 nan 0.000 0.464 1379 S N 4.259 120.024 115.700 0.108 0.000 2.786 1379 S HA 0.805 5.275 4.470 -0.000 0.000 0.307 1379 S C -0.827 173.723 174.600 -0.083 0.000 1.121 1379 S CA -0.721 57.490 58.200 0.018 0.000 0.975 1379 S CB 1.352 64.580 63.200 0.046 0.000 1.220 1379 S HN 0.640 nan 8.310 nan 0.000 0.550 1380 I N 0.805 121.158 120.570 -0.362 0.000 2.647 1380 I HA 0.421 4.591 4.170 -0.000 0.000 0.295 1380 I C -1.199 174.657 176.117 -0.435 0.000 1.078 1380 I CA -0.162 60.882 61.300 -0.427 0.000 1.048 1380 I CB 1.552 39.200 38.000 -0.588 0.000 1.239 1380 I HN 0.365 nan 8.210 nan 0.000 0.421 1381 L N 4.704 125.741 121.223 -0.309 0.000 2.301 1381 L HA 0.403 4.742 4.340 -0.000 0.000 0.278 1381 L C -0.814 175.953 176.870 -0.172 0.000 1.022 1381 L CA -0.412 54.307 54.840 -0.202 0.000 0.854 1381 L CB 0.901 42.882 42.059 -0.131 0.000 1.226 1381 L HN 0.506 nan 8.230 nan 0.000 0.429 1382 D N 4.904 125.250 120.400 -0.089 0.000 2.347 1382 D HA 0.396 5.035 4.640 -0.000 0.000 0.235 1382 D C -0.464 175.833 176.300 -0.006 0.000 1.149 1382 D CA -0.031 53.950 54.000 -0.030 0.000 0.850 1382 D CB 0.761 41.598 40.800 0.063 0.000 1.061 1382 D HN 0.240 nan 8.370 nan 0.000 0.487 1383 I N 2.171 122.743 120.570 0.004 0.000 2.441 1383 I HA 0.276 4.446 4.170 -0.000 0.000 0.295 1383 I C 0.025 176.194 176.117 0.087 0.000 0.994 1383 I CA -0.871 60.470 61.300 0.069 0.000 1.144 1383 I CB 1.910 39.974 38.000 0.107 0.000 1.314 1383 I HN 0.307 nan 8.210 nan 0.000 0.445 1384 S N 6.604 122.380 115.700 0.128 0.000 2.596 1384 S HA 0.569 5.039 4.470 -0.000 0.000 0.318 1384 S C -0.343 174.352 174.600 0.157 0.000 1.097 1384 S CA -1.009 57.254 58.200 0.105 0.000 1.080 1384 S CB 1.242 64.475 63.200 0.056 0.000 0.991 1384 S HN 0.394 nan 8.310 nan 0.000 0.471 1385 M N 2.748 122.446 119.600 0.163 0.000 2.207 1385 M HA 0.247 4.726 4.480 -0.000 0.000 0.311 1385 M C 0.328 176.695 176.300 0.110 0.000 1.127 1385 M CA 0.417 55.843 55.300 0.209 0.000 1.181 1385 M CB -0.135 32.609 32.600 0.240 0.000 1.409 1385 M HN 0.678 nan 8.290 nan 0.000 0.461 1386 M N 0.969 120.631 119.600 0.103 0.000 2.143 1386 M HA 0.070 4.550 4.480 -0.000 0.000 0.348 1386 M C 0.570 176.985 176.300 0.192 0.000 1.375 1386 M CA -0.101 55.224 55.300 0.041 0.000 1.124 1386 M CB 0.199 32.732 32.600 -0.112 0.000 1.669 1386 M HN 0.672 nan 8.290 nan 0.000 0.469 1387 T N 3.494 118.086 114.554 0.063 0.000 2.419 1387 T HA 0.038 4.388 4.350 -0.000 0.000 0.229 1387 T C 1.110 175.778 174.700 -0.054 0.000 1.095 1387 T CA 1.780 63.860 62.100 -0.034 0.000 1.402 1387 T CB -0.661 68.144 68.868 -0.104 0.000 1.078 1387 T HN 1.065 nan 8.240 nan 0.000 0.485 1388 G N 3.705 112.438 108.800 -0.112 0.000 2.148 1388 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.157 1388 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.157 1388 G C -0.242 174.458 174.900 -0.333 0.000 1.012 1388 G CA -0.435 44.455 45.100 -0.349 0.000 0.677 1388 G HN 0.681 nan 8.290 nan 0.000 0.506 1389 F N 0.523 120.562 119.950 0.148 0.000 2.569 1389 F HA 0.769 5.296 4.527 -0.000 0.000 0.312 1389 F C 0.212 176.159 175.800 0.245 0.000 1.109 1389 F CA -0.251 57.868 58.000 0.198 0.000 0.919 1389 F CB 2.526 41.581 39.000 0.093 0.000 1.211 1389 F HN 0.411 nan 8.300 nan 0.000 0.446 1390 A N 4.008 127.003 122.820 0.291 0.000 2.393 1390 A HA 0.851 5.170 4.320 -0.000 0.000 0.306 1390 A C -2.981 174.727 177.584 0.205 0.000 1.050 1390 A CA -2.051 50.094 52.037 0.179 0.000 0.724 1390 A CB 1.383 20.392 19.000 0.016 0.000 1.248 1390 A HN 0.372 nan 8.150 nan 0.000 0.424 1391 P HA 0.088 nan 4.420 nan 0.000 0.266 1391 P C -0.651 176.915 177.300 0.445 0.000 1.195 1391 P CA 0.162 63.471 63.100 0.348 0.000 0.768 1391 P CB 0.476 32.257 31.700 0.134 0.000 0.838 1392 D N 1.383 122.059 120.400 0.460 0.000 2.401 1392 D HA -0.022 4.618 4.640 -0.000 0.000 0.254 1392 D C 1.253 177.723 176.300 0.284 0.000 1.192 1392 D CA 0.358 54.678 54.000 0.534 0.000 0.885 1392 D CB 0.556 41.627 40.800 0.451 0.000 1.147 1392 D HN 0.353 nan 8.370 nan 0.000 0.478 1393 T N 1.065 115.728 114.554 0.182 0.000 2.684 1393 T HA -0.238 4.111 4.350 -0.000 0.000 0.267 1393 T C 1.256 175.962 174.700 0.011 0.000 1.036 1393 T CA 1.331 63.434 62.100 0.003 0.000 1.148 1393 T CB -0.221 68.561 68.868 -0.144 0.000 0.863 1393 T HN 0.321 nan 8.240 nan 0.000 0.436 1394 D N 1.765 122.187 120.400 0.037 0.000 2.123 1394 D HA -0.070 4.570 4.640 -0.000 0.000 0.196 1394 D C 1.956 178.284 176.300 0.045 0.000 0.992 1394 D CA 1.369 55.388 54.000 0.032 0.000 0.833 1394 D CB -0.652 40.176 40.800 0.047 0.000 0.954 1394 D HN 0.440 nan 8.370 nan 0.000 0.455 1395 D N -0.115 120.337 120.400 0.087 0.000 2.178 1395 D HA -0.065 4.575 4.640 -0.000 0.000 0.201 1395 D C 2.214 178.533 176.300 0.031 0.000 0.980 1395 D CA 0.311 54.365 54.000 0.090 0.000 0.842 1395 D CB -0.212 40.691 40.800 0.171 0.000 0.948 1395 D HN 0.222 nan 8.370 nan 0.000 0.472 1396 L N 0.083 121.297 121.223 -0.014 0.000 2.093 1396 L HA -0.141 4.198 4.340 -0.000 0.000 0.208 1396 L C 2.150 178.982 176.870 -0.064 0.000 1.085 1396 L CA 1.006 55.793 54.840 -0.089 0.000 0.755 1396 L CB -0.211 41.778 42.059 -0.117 0.000 0.904 1396 L HN -0.073 nan 8.230 nan 0.000 0.435 1397 K N -0.188 120.189 120.400 -0.038 0.000 2.097 1397 K HA -0.236 4.084 4.320 -0.000 0.000 0.206 1397 K C 2.087 178.678 176.600 -0.016 0.000 1.049 1397 K CA 1.152 57.420 56.287 -0.031 0.000 0.933 1397 K CB -0.193 32.293 32.500 -0.023 0.000 0.717 1397 K HN 0.076 nan 8.250 nan 0.000 0.442 1398 Q N 0.736 120.535 119.800 -0.002 0.000 2.050 1398 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 1398 Q C 1.725 177.729 176.000 0.008 0.000 0.980 1398 Q CA 1.593 57.402 55.803 0.009 0.000 0.840 1398 Q CB -0.172 28.580 28.738 0.024 0.000 0.898 1398 Q HN 0.309 nan 8.270 nan 0.000 0.424 1399 L N -0.331 120.892 121.223 -0.000 0.000 2.201 1399 L HA -0.051 4.288 4.340 -0.000 0.000 0.212 1399 L C 2.296 179.160 176.870 -0.009 0.000 1.105 1399 L CA 0.760 55.599 54.840 -0.002 0.000 0.775 1399 L CB -0.646 41.402 42.059 -0.019 0.000 0.913 1399 L HN 0.287 nan 8.230 nan 0.000 0.440 1400 A N 0.636 123.440 122.820 -0.026 0.000 1.854 1400 A HA -0.174 4.146 4.320 -0.000 0.000 0.214 1400 A C 1.996 179.589 177.584 0.015 0.000 1.192 1400 A CA 1.630 53.651 52.037 -0.026 0.000 0.611 1400 A CB -0.686 18.276 19.000 -0.063 0.000 0.832 1400 A HN 0.467 nan 8.150 nan 0.000 0.442 1401 N N 0.083 118.789 118.700 0.010 0.000 2.289 1401 N HA -0.042 4.697 4.740 -0.000 0.000 0.184 1401 N C 1.042 176.568 175.510 0.028 0.000 1.016 1401 N CA 0.217 53.280 53.050 0.021 0.000 0.872 1401 N CB -0.239 38.256 38.487 0.012 0.000 0.973 1401 N HN 0.479 nan 8.380 nan 0.000 0.433 1402 G N 1.151 109.967 108.800 0.026 0.000 2.432 1402 G HA2 0.208 4.168 3.960 -0.000 0.000 0.239 1402 G HA3 0.208 4.168 3.960 -0.000 0.000 0.239 1402 G C 0.005 174.928 174.900 0.039 0.000 1.291 1402 G CA -0.353 44.764 45.100 0.029 0.000 0.863 1402 G HN 0.007 nan 8.290 nan 0.000 0.560 1403 V N 2.389 122.323 119.914 0.033 0.000 3.096 1403 V HA 0.188 4.308 4.120 -0.000 0.000 0.306 1403 V C 0.996 177.113 176.094 0.039 0.000 1.088 1403 V CA 1.000 63.320 62.300 0.034 0.000 1.129 1403 V CB 0.838 32.674 31.823 0.022 0.000 1.014 1403 V HN 1.019 nan 8.190 nan 0.000 0.486 1404 D N 1.641 122.065 120.400 0.040 0.000 2.946 1404 D HA -0.149 4.490 4.640 -0.000 0.000 0.202 1404 D C 0.238 176.578 176.300 0.067 0.000 1.068 1404 D CA 1.445 55.471 54.000 0.044 0.000 1.011 1404 D CB -0.699 40.122 40.800 0.036 0.000 1.105 1404 D HN 0.744 nan 8.370 nan 0.000 0.425 1405 R N -0.601 119.950 120.500 0.084 0.000 2.795 1405 R HA 0.668 5.007 4.340 -0.000 0.000 0.275 1405 R C -1.099 175.314 176.300 0.187 0.000 0.981 1405 R CA -0.826 55.340 56.100 0.111 0.000 0.917 1405 R CB 2.530 32.869 30.300 0.064 0.000 1.202 1405 R HN 0.094 nan 8.270 nan 0.000 0.469 1406 Y N 1.989 122.327 120.300 0.063 0.000 2.442 1406 Y HA 0.501 5.051 4.550 -0.000 0.000 0.330 1406 Y C -1.751 174.235 175.900 0.143 0.000 1.100 1406 Y CA -0.741 57.407 58.100 0.081 0.000 1.034 1406 Y CB 1.468 39.965 38.460 0.061 0.000 1.285 1406 Y HN 0.515 nan 8.280 nan 0.000 0.440 1407 I N 6.076 126.240 120.570 -0.675 0.000 2.468 1407 I HA 0.267 4.437 4.170 -0.000 0.000 0.284 1407 I C -0.276 175.384 176.117 -0.761 0.000 1.038 1407 I CA -0.962 59.998 61.300 -0.566 0.000 1.083 1407 I CB 1.959 39.797 38.000 -0.270 0.000 1.223 1407 I HN 0.761 nan 8.210 nan 0.000 0.443 1408 S N 4.708 120.003 115.700 -0.674 0.000 2.558 1408 S HA -0.045 4.425 4.470 -0.000 0.000 0.291 1408 S C 1.194 175.745 174.600 -0.082 0.000 1.306 1408 S CA -0.232 57.808 58.200 -0.267 0.000 1.056 1408 S CB 1.112 64.367 63.200 0.091 0.000 0.836 1408 S HN 0.856 nan 8.310 nan 0.000 0.504 1409 K N 1.632 122.037 120.400 0.008 0.000 2.160 1409 K HA -0.242 4.078 4.320 -0.000 0.000 0.206 1409 K C 1.695 178.320 176.600 0.042 0.000 1.047 1409 K CA 1.606 57.904 56.287 0.017 0.000 0.930 1409 K CB -0.383 32.143 32.500 0.044 0.000 0.720 1409 K HN 0.840 nan 8.250 nan 0.000 0.450 1410 Y N 1.329 121.620 120.300 -0.016 0.000 2.207 1410 Y HA -0.230 4.319 4.550 -0.000 0.000 0.287 1410 Y C 2.036 177.920 175.900 -0.026 0.000 1.156 1410 Y CA 2.070 60.165 58.100 -0.008 0.000 1.182 1410 Y CB 0.075 38.545 38.460 0.018 0.000 0.979 1410 Y HN 0.217 nan 8.280 nan 0.000 0.521 1411 E N -0.541 119.729 120.200 0.116 0.000 2.299 1411 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 1411 E C 1.683 178.245 176.600 -0.063 0.000 0.998 1411 E CA 0.551 56.969 56.400 0.030 0.000 0.851 1411 E CB -0.184 29.527 29.700 0.019 0.000 0.795 1411 E HN 0.370 nan 8.360 nan 0.000 0.492 1412 L N 1.297 122.474 121.223 -0.077 0.000 1.937 1412 L HA -0.117 4.223 4.340 -0.000 0.000 0.213 1412 L C 0.752 177.555 176.870 -0.112 0.000 1.077 1412 L CA 1.879 56.663 54.840 -0.094 0.000 0.758 1412 L CB -0.905 41.104 42.059 -0.083 0.000 0.888 1412 L HN 0.221 nan 8.230 nan 0.000 0.433 1413 D N -0.514 119.811 120.400 -0.125 0.000 2.662 1413 D HA -0.007 4.633 4.640 -0.000 0.000 0.228 1413 D C 0.731 176.930 176.300 -0.167 0.000 1.093 1413 D CA 0.294 54.211 54.000 -0.139 0.000 1.075 1413 D CB -0.216 40.508 40.800 -0.126 0.000 1.122 1413 D HN 0.300 nan 8.370 nan 0.000 0.475 1414 K N 0.316 120.625 120.400 -0.151 0.000 2.435 1414 K HA 0.420 4.740 4.320 -0.000 0.000 0.199 1414 K C 0.323 176.849 176.600 -0.123 0.000 1.153 1414 K CA 0.284 56.486 56.287 -0.142 0.000 0.974 1414 K CB 0.616 33.047 32.500 -0.115 0.000 0.997 1414 K HN 0.377 nan 8.250 nan 0.000 0.547 1415 A N 0.485 123.218 122.820 -0.146 0.000 2.770 1415 A HA -0.235 4.085 4.320 -0.000 0.000 0.674 1415 A C 0.520 178.042 177.584 -0.102 0.000 0.315 1415 A CA 0.101 52.017 52.037 -0.202 0.000 0.133 1415 A CB -1.414 17.466 19.000 -0.198 0.000 3.903 1415 A HN 0.161 nan 8.150 nan 0.000 0.543 1416 F N 1.249 121.088 119.950 -0.185 0.000 2.147 1416 F HA -0.243 4.284 4.527 -0.000 0.000 0.301 1416 F C 2.796 178.331 175.800 -0.442 0.000 1.084 1416 F CA 2.175 59.998 58.000 -0.296 0.000 1.268 1416 F CB -1.556 37.222 39.000 -0.370 0.000 1.009 1416 F HN 0.961 nan 8.300 nan 0.000 0.486 1417 S N 0.805 116.406 115.700 -0.166 0.000 2.557 1417 S HA -0.234 4.236 4.470 -0.000 0.000 0.225 1417 S C 0.540 175.121 174.600 -0.031 0.000 1.092 1417 S CA 1.198 59.311 58.200 -0.145 0.000 1.310 1417 S CB -1.269 61.901 63.200 -0.050 0.000 1.147 1417 S HN 0.387 nan 8.310 nan 0.000 0.402 1418 D N 0.789 121.184 120.400 -0.008 0.000 2.483 1418 D HA 0.422 5.062 4.640 -0.000 0.000 0.220 1418 D C 0.143 176.448 176.300 0.008 0.000 1.173 1418 D CA -0.320 53.690 54.000 0.016 0.000 0.964 1418 D CB 0.067 40.867 40.800 -0.000 0.000 1.046 1418 D HN 0.510 nan 8.370 nan 0.000 0.517 1419 R N 2.166 122.689 120.500 0.039 0.000 2.490 1419 R HA -0.026 4.313 4.340 -0.000 0.000 0.410 1419 R C 0.318 176.663 176.300 0.075 0.000 0.876 1419 R CA -0.148 55.978 56.100 0.043 0.000 1.061 1419 R CB -0.033 30.291 30.300 0.040 0.000 1.553 1419 R HN 0.254 nan 8.270 nan 0.000 0.593 1420 N N -0.173 118.576 118.700 0.081 0.000 2.272 1420 N HA -0.106 4.634 4.740 -0.000 0.000 0.185 1420 N C 0.339 175.892 175.510 0.071 0.000 1.014 1420 N CA 1.514 54.620 53.050 0.092 0.000 0.870 1420 N CB -0.184 38.338 38.487 0.058 0.000 0.975 1420 N HN 0.232 nan 8.380 nan 0.000 0.433 1421 T N -1.733 112.847 114.554 0.045 0.000 2.797 1421 T HA 0.606 4.956 4.350 -0.000 0.000 0.279 1421 T C -0.539 174.171 174.700 0.017 0.000 0.991 1421 T CA -1.052 61.067 62.100 0.031 0.000 0.979 1421 T CB 1.796 70.672 68.868 0.014 0.000 0.943 1421 T HN 0.101 nan 8.240 nan 0.000 0.444 1422 L N 3.128 124.351 121.223 0.001 0.000 2.354 1422 L HA 0.774 5.114 4.340 -0.000 0.000 0.269 1422 L C -1.390 175.420 176.870 -0.100 0.000 1.005 1422 L CA -1.264 53.544 54.840 -0.054 0.000 0.819 1422 L CB 1.739 43.746 42.059 -0.086 0.000 1.311 1422 L HN 0.821 nan 8.230 nan 0.000 0.423 1423 I N 5.859 126.329 120.570 -0.166 0.000 2.468 1423 I HA 0.381 4.551 4.170 -0.000 0.000 0.284 1423 I C -0.922 174.945 176.117 -0.417 0.000 1.038 1423 I CA -0.276 60.839 61.300 -0.307 0.000 1.083 1423 I CB 1.560 39.346 38.000 -0.357 0.000 1.223 1423 I HN 0.440 nan 8.210 nan 0.000 0.443 1424 I N 6.562 126.909 120.570 -0.371 0.000 2.337 1424 I HA 0.264 4.434 4.170 -0.000 0.000 0.285 1424 I C -0.699 175.269 176.117 -0.249 0.000 1.041 1424 I CA -0.622 60.518 61.300 -0.268 0.000 1.199 1424 I CB 0.482 38.383 38.000 -0.164 0.000 1.370 1424 I HN 0.397 nan 8.210 nan 0.000 0.470 1425 Y N 6.450 126.756 120.300 0.011 0.000 2.402 1425 Y HA 0.319 4.869 4.550 -0.000 0.000 0.333 1425 Y C 0.262 176.194 175.900 0.053 0.000 1.076 1425 Y CA -0.200 57.934 58.100 0.056 0.000 1.299 1425 Y CB 0.488 39.065 38.460 0.196 0.000 1.197 1425 Y HN 0.364 nan 8.280 nan 0.000 0.517 1426 L N 3.646 124.955 121.223 0.145 0.000 2.317 1426 L HA 0.313 4.653 4.340 -0.000 0.000 0.281 1426 L C 0.208 177.131 176.870 0.089 0.000 1.024 1426 L CA -0.673 54.227 54.840 0.099 0.000 0.810 1426 L CB 1.512 43.609 42.059 0.063 0.000 1.240 1426 L HN 0.623 nan 8.230 nan 0.000 0.427 1427 D N 1.295 121.735 120.400 0.067 0.000 2.289 1427 D HA -0.001 4.639 4.640 -0.000 0.000 0.207 1427 D C 0.057 176.377 176.300 0.034 0.000 0.966 1427 D CA 0.988 55.008 54.000 0.033 0.000 0.868 1427 D CB 0.324 41.135 40.800 0.018 0.000 0.943 1427 D HN 0.521 nan 8.370 nan 0.000 0.514 1428 K N -1.479 118.950 120.400 0.049 0.000 2.660 1428 K HA 0.491 4.810 4.320 -0.000 0.000 0.285 1428 K C -1.505 175.133 176.600 0.064 0.000 0.997 1428 K CA -1.061 55.254 56.287 0.046 0.000 0.861 1428 K CB 1.775 34.293 32.500 0.030 0.000 1.469 1428 K HN -0.174 nan 8.250 nan 0.000 0.395 1429 V N -1.708 118.245 119.914 0.065 0.000 2.569 1429 V HA 0.549 4.668 4.120 -0.000 0.000 0.301 1429 V C -0.047 176.098 176.094 0.085 0.000 1.044 1429 V CA -0.721 61.637 62.300 0.097 0.000 0.874 1429 V CB 1.252 33.188 31.823 0.188 0.000 1.002 1429 V HN 0.894 nan 8.190 nan 0.000 0.424 1430 S N 2.224 117.967 115.700 0.072 0.000 2.566 1430 S HA 0.179 4.649 4.470 -0.000 0.000 0.280 1430 S C 0.949 175.608 174.600 0.099 0.000 1.343 1430 S CA 0.980 59.210 58.200 0.050 0.000 1.036 1430 S CB 0.266 63.459 63.200 -0.012 0.000 0.866 1430 S HN 1.388 nan 8.310 nan 0.000 0.526 1431 H N 0.786 119.893 119.070 0.062 0.000 2.740 1431 H HA 0.463 5.019 4.556 -0.000 0.000 0.265 1431 H C 1.504 176.853 175.328 0.036 0.000 0.978 1431 H CA 0.530 56.622 56.048 0.073 0.000 1.198 1431 H CB -0.091 29.739 29.762 0.114 0.000 1.467 1431 H HN 0.345 nan 8.280 nan 0.000 0.511 1432 S N 0.018 115.439 115.700 -0.465 0.000 2.324 1432 S HA 0.031 4.500 4.470 -0.000 0.000 0.210 1432 S C 0.554 175.085 174.600 -0.115 0.000 1.027 1432 S CA 0.935 58.954 58.200 -0.301 0.000 0.945 1432 S CB 0.063 63.059 63.200 -0.339 0.000 0.908 1432 S HN 0.668 nan 8.310 nan 0.000 0.496 1433 E N 1.191 121.335 120.200 -0.093 0.000 2.518 1433 E HA 0.533 4.883 4.350 -0.000 0.000 0.248 1433 E C -1.582 175.012 176.600 -0.011 0.000 1.028 1433 E CA -0.919 55.458 56.400 -0.039 0.000 0.922 1433 E CB -0.030 29.649 29.700 -0.034 0.000 1.299 1433 E HN -0.112 nan 8.360 nan 0.000 0.457 1434 D N 0.298 120.700 120.400 0.004 0.000 2.233 1434 D HA 0.292 4.932 4.640 -0.000 0.000 0.240 1434 D C -0.969 175.345 176.300 0.024 0.000 1.074 1434 D CA -0.441 53.573 54.000 0.023 0.000 0.838 1434 D CB 0.850 41.663 40.800 0.023 0.000 1.124 1434 D HN 0.229 nan 8.370 nan 0.000 0.475 1435 D N 1.552 121.976 120.400 0.040 0.000 2.365 1435 D HA 0.184 4.823 4.640 -0.000 0.000 0.237 1435 D C -0.344 175.979 176.300 0.038 0.000 1.190 1435 D CA -0.116 53.907 54.000 0.039 0.000 0.867 1435 D CB 0.387 41.218 40.800 0.052 0.000 1.050 1435 D HN 0.195 nan 8.370 nan 0.000 0.491 1436 c N 3.180 121.795 118.600 0.026 0.000 2.411 1436 c HA 0.765 5.335 4.570 -0.000 0.000 0.330 1436 c C -0.119 173.984 174.090 0.022 0.000 1.224 1436 c CA -0.850 55.490 56.329 0.018 0.000 1.770 1436 c CB -0.022 42.491 42.510 0.005 0.000 2.297 1436 c HN 0.542 nan 8.230 nan 0.000 0.507 1437 L N 1.139 122.378 121.223 0.026 0.000 2.359 1437 L HA 1.099 5.439 4.340 -0.000 0.000 0.256 1437 L C -0.470 176.424 176.870 0.040 0.000 1.026 1437 L CA -0.830 54.038 54.840 0.047 0.000 0.828 1437 L CB 1.352 43.456 42.059 0.075 0.000 1.406 1437 L HN 0.798 nan 8.230 nan 0.000 0.413 1438 A N 1.084 123.942 122.820 0.064 0.000 2.574 1438 A HA 0.907 5.227 4.320 -0.000 0.000 0.297 1438 A C -1.416 176.230 177.584 0.104 0.000 1.062 1438 A CA -0.421 51.608 52.037 -0.013 0.000 0.686 1438 A CB 1.302 20.252 19.000 -0.083 0.000 1.285 1438 A HN 1.251 nan 8.150 nan 0.000 0.403 1439 F N -0.645 119.268 119.950 -0.061 0.000 2.626 1439 F HA 0.785 5.312 4.527 -0.000 0.000 0.311 1439 F C -0.479 175.284 175.800 -0.060 0.000 1.088 1439 F CA -1.117 56.858 58.000 -0.041 0.000 0.949 1439 F CB 1.295 40.281 39.000 -0.024 0.000 1.322 1439 F HN 0.459 nan 8.300 nan 0.000 0.461 1440 K N 1.735 122.198 120.400 0.105 0.000 2.185 1440 K HA 0.678 4.997 4.320 -0.000 0.000 0.271 1440 K C -0.884 175.700 176.600 -0.026 0.000 1.013 1440 K CA -0.901 55.352 56.287 -0.057 0.000 0.943 1440 K CB 1.890 34.360 32.500 -0.049 0.000 0.998 1440 K HN 0.669 nan 8.250 nan 0.000 0.468 1441 V N -0.978 118.813 119.914 -0.205 0.000 2.789 1441 V HA 0.478 4.597 4.120 -0.000 0.000 0.311 1441 V C -0.829 175.137 176.094 -0.214 0.000 1.073 1441 V CA -0.923 61.331 62.300 -0.077 0.000 0.921 1441 V CB 1.741 33.598 31.823 0.057 0.000 1.009 1441 V HN 0.718 nan 8.190 nan 0.000 0.426 1442 H N 2.419 121.526 119.070 0.062 0.000 2.569 1442 H HA 0.506 5.062 4.556 -0.000 0.000 0.357 1442 H C -1.032 174.180 175.328 -0.194 0.000 1.153 1442 H CA -0.494 55.510 56.048 -0.074 0.000 1.193 1442 H CB 2.670 32.216 29.762 -0.359 0.000 1.602 1442 H HN 0.859 nan 8.280 nan 0.000 0.523 1443 Q N 1.915 121.554 119.800 -0.268 0.000 2.274 1443 Q HA 0.136 4.476 4.340 -0.000 0.000 0.256 1443 Q C -0.649 175.201 176.000 -0.249 0.000 0.927 1443 Q CA -0.495 54.872 55.803 -0.726 0.000 0.939 1443 Q CB 0.572 28.799 28.738 -0.852 0.000 1.201 1443 Q HN 0.805 nan 8.270 nan 0.000 0.426 1444 Y N 1.993 122.101 120.300 -0.320 0.000 2.610 1444 Y HA 0.348 4.898 4.550 -0.000 0.000 0.254 1444 Y C -0.054 175.779 175.900 -0.112 0.000 1.110 1444 Y CA -0.525 57.474 58.100 -0.169 0.000 1.238 1444 Y CB 0.336 38.725 38.460 -0.118 0.000 1.322 1444 Y HN 0.602 nan 8.280 nan 0.000 0.547 1445 F N 1.344 120.846 119.950 -0.746 0.000 2.699 1445 F HA 0.279 4.806 4.527 -0.000 0.000 0.295 1445 F C 0.310 175.904 175.800 -0.345 0.000 1.052 1445 F CA -0.222 57.405 58.000 -0.621 0.000 1.239 1445 F CB 0.521 39.018 39.000 -0.839 0.000 1.018 1445 F HN 0.072 nan 8.300 nan 0.000 0.627 1446 N N 1.465 120.100 118.700 -0.109 0.000 2.493 1446 N HA -0.215 4.524 4.740 -0.000 0.000 0.300 1446 N C -1.346 174.179 175.510 0.024 0.000 1.407 1446 N CA 0.935 53.948 53.050 -0.061 0.000 0.656 1446 N CB -0.447 37.995 38.487 -0.075 0.000 0.995 1446 N HN 0.221 nan 8.380 nan 0.000 0.497 1447 V N 3.820 123.746 119.914 0.020 0.000 2.752 1447 V HA 0.390 4.510 4.120 -0.000 0.000 0.302 1447 V C -0.121 175.989 176.094 0.028 0.000 1.133 1447 V CA -0.377 61.943 62.300 0.034 0.000 0.919 1447 V CB 1.497 33.340 31.823 0.032 0.000 1.026 1447 V HN 0.691 nan 8.190 nan 0.000 0.429 1448 E N 7.017 127.234 120.200 0.028 0.000 2.467 1448 E HA 0.269 4.619 4.350 -0.000 0.000 0.264 1448 E C -0.248 176.381 176.600 0.049 0.000 1.020 1448 E CA -0.097 56.322 56.400 0.033 0.000 0.945 1448 E CB 0.398 30.111 29.700 0.021 0.000 0.942 1448 E HN 0.872 nan 8.360 nan 0.000 0.449 1449 L N 1.430 122.690 121.223 0.062 0.000 3.423 1449 L HA -0.252 4.088 4.340 -0.000 0.000 0.671 1449 L C -0.246 176.687 176.870 0.106 0.000 1.083 1449 L CA 0.107 54.997 54.840 0.083 0.000 1.201 1449 L CB -1.652 40.446 42.059 0.065 0.000 1.578 1449 L HN 0.647 nan 8.230 nan 0.000 0.839 1450 I N -0.639 120.010 120.570 0.132 0.000 2.532 1450 I HA 0.455 4.625 4.170 -0.000 0.000 0.292 1450 I C 0.475 176.676 176.117 0.140 0.000 1.014 1450 I CA -0.079 61.290 61.300 0.115 0.000 1.340 1450 I CB 1.028 39.083 38.000 0.090 0.000 1.422 1450 I HN 0.432 nan 8.210 nan 0.000 0.528 1451 Q N 5.378 125.235 119.800 0.096 0.000 2.279 1451 Q HA 0.426 4.766 4.340 -0.000 0.000 0.256 1451 Q C -2.337 173.674 176.000 0.019 0.000 0.937 1451 Q CA -1.913 53.926 55.803 0.061 0.000 0.933 1451 Q CB 0.919 29.698 28.738 0.068 0.000 1.189 1451 Q HN 0.499 nan 8.270 nan 0.000 0.417 1452 P HA -0.019 nan 4.420 nan 0.000 0.264 1452 P C -0.301 176.889 177.300 -0.183 0.000 1.193 1452 P CA 0.181 63.258 63.100 -0.039 0.000 0.763 1452 P CB 0.678 32.356 31.700 -0.036 0.000 0.810 1453 G N 1.947 110.383 108.800 -0.608 0.000 2.611 1453 G HA2 0.551 4.511 3.960 -0.000 0.000 0.273 1453 G HA3 0.551 4.511 3.960 -0.000 0.000 0.273 1453 G C -0.919 173.822 174.900 -0.265 0.000 1.305 1453 G CA -0.069 44.623 45.100 -0.682 0.000 1.010 1453 G HN 0.678 nan 8.290 nan 0.000 0.509 1454 A N -1.833 120.995 122.820 0.014 0.000 2.577 1454 A HA 0.606 4.926 4.320 -0.000 0.000 0.297 1454 A C -1.379 176.233 177.584 0.046 0.000 1.060 1454 A CA -0.391 51.624 52.037 -0.036 0.000 0.697 1454 A CB 1.713 20.605 19.000 -0.179 0.000 1.281 1454 A HN 1.244 nan 8.150 nan 0.000 0.402 1455 V N 1.890 121.771 119.914 -0.054 0.000 2.531 1455 V HA 0.593 4.713 4.120 -0.000 0.000 0.301 1455 V C -0.160 175.878 176.094 -0.092 0.000 1.034 1455 V CA -0.595 61.688 62.300 -0.027 0.000 0.865 1455 V CB 1.861 33.684 31.823 0.000 0.000 0.995 1455 V HN 0.916 nan 8.190 nan 0.000 0.424 1456 K N 3.666 124.034 120.400 -0.053 0.000 2.270 1456 K HA 0.827 5.147 4.320 -0.000 0.000 0.255 1456 K C -1.120 175.468 176.600 -0.021 0.000 0.936 1456 K CA -0.566 55.702 56.287 -0.031 0.000 0.809 1456 K CB 2.151 34.662 32.500 0.019 0.000 1.131 1456 K HN 0.634 nan 8.250 nan 0.000 0.427 1457 V N 1.510 121.374 119.914 -0.083 0.000 2.680 1457 V HA 0.813 4.933 4.120 -0.000 0.000 0.309 1457 V C -1.363 174.494 176.094 -0.395 0.000 1.052 1457 V CA -0.618 61.508 62.300 -0.290 0.000 0.908 1457 V CB 0.779 32.387 31.823 -0.359 0.000 1.001 1457 V HN 0.900 nan 8.190 nan 0.000 0.431 1458 Y N 1.437 121.371 120.300 -0.610 0.000 2.687 1458 Y HA 0.861 5.411 4.550 -0.000 0.000 0.338 1458 Y C -0.324 175.422 175.900 -0.256 0.000 1.189 1458 Y CA -0.797 56.981 58.100 -0.536 0.000 1.097 1458 Y CB 0.507 38.798 38.460 -0.281 0.000 1.342 1458 Y HN 1.131 nan 8.280 nan 0.000 0.461 1459 A N 1.670 124.478 122.820 -0.022 0.000 2.313 1459 A HA 0.363 4.683 4.320 -0.000 0.000 0.261 1459 A C 0.321 177.894 177.584 -0.020 0.000 1.090 1459 A CA -0.001 52.001 52.037 -0.058 0.000 0.807 1459 A CB -0.230 18.542 19.000 -0.381 0.000 1.055 1459 A HN 1.352 nan 8.150 nan 0.000 0.492 1460 Y N -0.462 119.836 120.300 -0.003 0.000 2.439 1460 Y HA -0.091 4.459 4.550 -0.000 0.000 0.292 1460 Y C 1.406 177.390 175.900 0.140 0.000 1.130 1460 Y CA 1.495 59.659 58.100 0.106 0.000 1.254 1460 Y CB -0.603 37.930 38.460 0.122 0.000 1.000 1460 Y HN 0.690 nan 8.280 nan 0.000 0.554 1461 Y N -0.099 119.799 120.300 -0.669 0.000 2.478 1461 Y HA 0.363 4.913 4.550 -0.000 0.000 0.261 1461 Y C -0.320 175.478 175.900 -0.171 0.000 1.127 1461 Y CA -0.729 57.035 58.100 -0.561 0.000 1.288 1461 Y CB -0.323 37.711 38.460 -0.710 0.000 1.084 1461 Y HN 0.153 nan 8.280 nan 0.000 0.530 1462 N N 0.495 118.916 118.700 -0.465 0.000 2.454 1462 N HA 0.258 4.997 4.740 -0.000 0.000 0.291 1462 N C -0.533 174.901 175.510 -0.126 0.000 1.079 1462 N CA -0.401 52.508 53.050 -0.236 0.000 0.893 1462 N CB 1.558 39.885 38.487 -0.266 0.000 1.512 1462 N HN 0.165 nan 8.380 nan 0.000 0.497 1463 L N 3.468 124.628 121.223 -0.106 0.000 2.357 1463 L HA 0.374 4.713 4.340 -0.000 0.000 0.211 1463 L C 1.639 178.413 176.870 -0.159 0.000 1.075 1463 L CA 1.489 56.207 54.840 -0.204 0.000 0.830 1463 L CB -0.115 41.803 42.059 -0.235 0.000 0.996 1463 L HN 0.607 nan 8.230 nan 0.000 0.467 1464 E N 0.937 121.088 120.200 -0.082 0.000 2.038 1464 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 1464 E C 0.869 177.458 176.600 -0.018 0.000 1.000 1464 E CA 1.593 57.967 56.400 -0.044 0.000 0.803 1464 E CB -0.312 29.378 29.700 -0.016 0.000 0.750 1464 E HN 0.673 nan 8.360 nan 0.000 0.448 1465 E N 1.327 121.535 120.200 0.012 0.000 2.467 1465 E HA 0.108 4.458 4.350 -0.000 0.000 0.321 1465 E C -0.704 175.948 176.600 0.087 0.000 1.388 1465 E CA -0.210 56.234 56.400 0.073 0.000 1.508 1465 E CB -0.191 29.584 29.700 0.125 0.000 1.250 1465 E HN 0.036 nan 8.360 nan 0.000 0.500 1466 S N 0.601 116.310 115.700 0.016 0.000 2.607 1466 S HA 0.589 5.059 4.470 -0.000 0.000 0.303 1466 S C -0.636 173.957 174.600 -0.011 0.000 1.086 1466 S CA -1.022 57.160 58.200 -0.029 0.000 0.995 1466 S CB 1.969 65.116 63.200 -0.089 0.000 1.084 1466 S HN 0.441 nan 8.310 nan 0.000 0.507 1467 c N 1.986 120.561 118.600 -0.041 0.000 2.482 1467 c HA 0.821 5.391 4.570 -0.000 0.000 0.317 1467 c C -0.561 173.498 174.090 -0.052 0.000 1.197 1467 c CA 0.049 56.374 56.329 -0.008 0.000 1.432 1467 c CB 0.625 43.171 42.510 0.060 0.000 2.062 1467 c HN 1.003 nan 8.230 nan 0.000 0.471 1468 T N 5.145 119.656 114.554 -0.072 0.000 2.841 1468 T HA 0.598 4.948 4.350 -0.000 0.000 0.285 1468 T C -0.614 173.936 174.700 -0.250 0.000 0.991 1468 T CA -0.485 61.506 62.100 -0.182 0.000 0.966 1468 T CB 1.303 70.029 68.868 -0.238 0.000 0.962 1468 T HN 0.620 nan 8.240 nan 0.000 0.438 1469 R N 1.287 121.613 120.500 -0.289 0.000 2.832 1469 R HA 0.828 5.167 4.340 -0.000 0.000 0.271 1469 R C -1.243 174.829 176.300 -0.380 0.000 0.996 1469 R CA -0.927 55.046 56.100 -0.212 0.000 0.977 1469 R CB 0.853 31.138 30.300 -0.025 0.000 1.168 1469 R HN 0.499 nan 8.270 nan 0.000 0.482 1470 F N 0.932 120.939 119.950 0.095 0.000 2.613 1470 F HA 0.578 5.105 4.527 -0.000 0.000 0.342 1470 F C -0.511 175.393 175.800 0.173 0.000 1.066 1470 F CA -0.675 57.375 58.000 0.084 0.000 1.002 1470 F CB 1.280 40.276 39.000 -0.007 0.000 1.319 1470 F HN 0.443 nan 8.300 nan 0.000 0.495 1471 Y N -0.832 119.592 120.300 0.206 0.000 2.442 1471 Y HA 0.602 5.152 4.550 -0.000 0.000 0.330 1471 Y C -1.672 174.289 175.900 0.102 0.000 1.100 1471 Y CA -0.954 57.203 58.100 0.095 0.000 1.034 1471 Y CB 1.188 39.646 38.460 -0.005 0.000 1.285 1471 Y HN 0.723 nan 8.280 nan 0.000 0.440 1472 H N 4.625 123.719 119.070 0.041 0.000 2.865 1472 H HA 0.338 4.893 4.556 -0.000 0.000 0.362 1472 H C -2.603 172.724 175.328 -0.002 0.000 1.114 1472 H CA -2.334 53.691 56.048 -0.038 0.000 1.208 1472 H CB 3.281 33.005 29.762 -0.063 0.000 1.727 1472 H HN 0.510 nan 8.280 nan 0.000 0.534 1473 P HA -0.073 nan 4.420 nan 0.000 0.223 1473 P C 0.244 177.581 177.300 0.061 0.000 1.144 1473 P CA 1.320 64.349 63.100 -0.119 0.000 0.783 1473 P CB 0.675 32.238 31.700 -0.228 0.000 0.771 1474 E N -1.406 118.995 120.200 0.335 0.000 2.870 1474 E HA 0.115 4.465 4.350 -0.000 0.000 0.185 1474 E C 0.291 176.990 176.600 0.166 0.000 1.084 1474 E CA -0.308 56.243 56.400 0.250 0.000 1.246 1474 E CB -0.079 29.769 29.700 0.245 0.000 1.382 1474 E HN 0.076 nan 8.360 nan 0.000 0.492 1475 K N 1.916 122.372 120.400 0.094 0.000 2.455 1475 K HA -0.099 4.221 4.320 -0.000 0.000 0.269 1475 K C 0.813 177.422 176.600 0.015 0.000 0.972 1475 K CA 0.074 56.315 56.287 -0.077 0.000 0.938 1475 K CB 0.507 32.821 32.500 -0.310 0.000 0.931 1475 K HN 0.049 nan 8.250 nan 0.000 0.507 1476 E N 1.954 122.150 120.200 -0.007 0.000 2.041 1476 E HA -0.267 4.083 4.350 -0.000 0.000 0.227 1476 E C 0.313 176.945 176.600 0.052 0.000 1.039 1476 E CA 2.517 58.929 56.400 0.020 0.000 0.904 1476 E CB 0.039 29.743 29.700 0.006 0.000 0.808 1476 E HN 0.758 nan 8.360 nan 0.000 0.510 1477 D N -2.687 117.748 120.400 0.058 0.000 2.908 1477 D HA 0.268 4.908 4.640 -0.000 0.000 0.361 1477 D C 0.784 177.175 176.300 0.153 0.000 1.416 1477 D CA 0.422 54.490 54.000 0.114 0.000 0.796 1477 D CB 0.385 41.253 40.800 0.114 0.000 1.185 1477 D HN 0.484 nan 8.370 nan 0.000 0.451 1478 G N 0.538 109.389 108.800 0.085 0.000 2.317 1478 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.227 1478 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.227 1478 G C 0.301 175.080 174.900 -0.201 0.000 1.042 1478 G CA -0.240 44.870 45.100 0.016 0.000 0.623 1478 G HN 0.374 nan 8.290 nan 0.000 0.509 1479 K N 1.937 122.243 120.400 -0.158 0.000 2.453 1479 K HA 0.436 4.756 4.320 -0.000 0.000 0.280 1479 K C 1.211 177.697 176.600 -0.190 0.000 1.045 1479 K CA 0.050 56.213 56.287 -0.206 0.000 1.059 1479 K CB 0.029 32.470 32.500 -0.099 0.000 0.901 1479 K HN 0.456 nan 8.250 nan 0.000 0.475 1480 L N 2.982 124.075 121.223 -0.217 0.000 2.499 1480 L HA -0.025 4.315 4.340 -0.000 0.000 0.281 1480 L C 0.654 177.445 176.870 -0.132 0.000 1.234 1480 L CA -0.037 54.695 54.840 -0.180 0.000 0.839 1480 L CB 0.225 42.187 42.059 -0.163 0.000 1.104 1480 L HN 0.602 nan 8.230 nan 0.000 0.500 1481 N N 2.530 121.159 118.700 -0.120 0.000 3.243 1481 N HA 0.023 4.762 4.740 -0.000 0.000 0.310 1481 N C -0.345 175.121 175.510 -0.073 0.000 1.313 1481 N CA 0.019 53.017 53.050 -0.086 0.000 1.204 1481 N CB -0.347 38.094 38.487 -0.077 0.000 1.483 1481 N HN 0.481 nan 8.380 nan 0.000 0.553 1482 K N -0.286 120.066 120.400 -0.080 0.000 2.322 1482 K HA 0.202 4.521 4.320 -0.000 0.000 0.283 1482 K C -0.003 176.542 176.600 -0.093 0.000 1.042 1482 K CA -0.803 55.435 56.287 -0.082 0.000 0.958 1482 K CB 1.103 33.554 32.500 -0.082 0.000 0.984 1482 K HN -0.033 nan 8.250 nan 0.000 0.473 1483 L N 4.143 125.300 121.223 -0.111 0.000 2.367 1483 L HA 0.245 4.584 4.340 -0.000 0.000 0.275 1483 L C -0.967 175.770 176.870 -0.221 0.000 1.129 1483 L CA 0.276 55.024 54.840 -0.153 0.000 0.839 1483 L CB 0.649 42.614 42.059 -0.156 0.000 1.133 1483 L HN 0.955 nan 8.230 nan 0.000 0.453 1484 c N 4.523 122.969 118.600 -0.256 0.000 3.090 1484 c HA 0.980 5.550 4.570 -0.000 0.000 0.347 1484 c C -0.345 173.567 174.090 -0.297 0.000 1.147 1484 c CA 0.277 56.465 56.329 -0.236 0.000 1.305 1484 c CB 0.759 43.187 42.510 -0.138 0.000 1.692 1484 c HN 1.298 nan 8.230 nan 0.000 0.506 1485 R N 3.496 123.867 120.500 -0.215 0.000 2.808 1485 R HA 0.809 5.148 4.340 -0.000 0.000 0.272 1485 R C 0.457 176.736 176.300 -0.036 0.000 0.995 1485 R CA 0.817 56.804 56.100 -0.188 0.000 0.917 1485 R CB 0.709 30.850 30.300 -0.265 0.000 1.217 1485 R HN 1.594 nan 8.270 nan 0.000 0.471 1486 D N -0.376 120.009 120.400 -0.025 0.000 4.450 1486 D HA -0.223 4.417 4.640 -0.000 0.000 0.209 1486 D C 0.504 176.804 176.300 0.000 0.000 0.603 1486 D CA 2.861 56.862 54.000 0.002 0.000 1.127 1486 D CB -0.431 40.382 40.800 0.022 0.000 0.621 1486 D HN 0.693 nan 8.370 nan 0.000 0.431 1487 E N -0.904 119.305 120.200 0.016 0.000 2.679 1487 E HA 0.294 4.643 4.350 -0.000 0.000 0.221 1487 E C -0.225 176.392 176.600 0.028 0.000 0.928 1487 E CA -0.093 56.313 56.400 0.010 0.000 1.296 1487 E CB 0.521 30.223 29.700 0.002 0.000 1.235 1487 E HN 0.410 nan 8.360 nan 0.000 0.622 1488 L N 1.372 122.644 121.223 0.081 0.000 2.275 1488 L HA 0.380 4.720 4.340 -0.000 0.000 0.288 1488 L C -0.053 176.892 176.870 0.125 0.000 1.046 1488 L CA -0.382 54.553 54.840 0.159 0.000 0.805 1488 L CB 1.137 43.381 42.059 0.308 0.000 1.193 1488 L HN -0.041 nan 8.230 nan 0.000 0.426 1489 c N 2.468 121.092 118.600 0.040 0.000 2.822 1489 c HA 0.747 5.317 4.570 -0.000 0.000 0.341 1489 c C -0.024 174.000 174.090 -0.109 0.000 1.301 1489 c CA -0.874 55.410 56.329 -0.076 0.000 1.706 1489 c CB 2.296 44.762 42.510 -0.074 0.000 2.178 1489 c HN 0.819 nan 8.230 nan 0.000 0.481 1490 R N 0.002 120.403 120.500 -0.164 0.000 2.522 1490 R HA 0.390 4.730 4.340 -0.000 0.000 0.273 1490 R C -1.101 175.139 176.300 -0.100 0.000 1.133 1490 R CA -0.296 55.721 56.100 -0.137 0.000 0.969 1490 R CB 1.141 31.302 30.300 -0.231 0.000 1.235 1490 R HN 0.991 nan 8.270 nan 0.000 0.433 1491 c N 3.676 122.248 118.600 -0.046 0.000 2.523 1491 c HA 0.273 4.843 4.570 -0.000 0.000 0.406 1491 c C 1.267 175.339 174.090 -0.030 0.000 1.449 1491 c CA 0.768 57.081 56.329 -0.026 0.000 1.588 1491 c CB -0.697 41.828 42.510 0.024 0.000 2.514 1491 c HN 0.762 nan 8.230 nan 0.000 0.606 1492 A N 4.182 126.976 122.820 -0.043 0.000 2.606 1492 A HA 0.316 4.636 4.320 -0.000 0.000 0.290 1492 A C 0.493 178.057 177.584 -0.034 0.000 1.174 1492 A CA -0.057 51.958 52.037 -0.037 0.000 0.958 1492 A CB -0.174 18.798 19.000 -0.046 0.000 1.194 1492 A HN 0.881 nan 8.150 nan 0.000 0.526 1493 E N 2.512 122.691 120.200 -0.034 0.000 1.802 1493 E HA 0.267 4.617 4.350 -0.000 0.000 0.265 1493 E C -0.140 176.444 176.600 -0.026 0.000 1.168 1493 E CA 0.123 56.498 56.400 -0.042 0.000 1.033 1493 E CB -0.455 29.213 29.700 -0.053 0.000 1.095 1493 E HN 0.692 nan 8.360 nan 0.000 0.436 1494 E N 1.947 122.131 120.200 -0.026 0.000 2.388 1494 E HA 0.305 4.655 4.350 -0.000 0.000 0.280 1494 E C -0.938 175.642 176.600 -0.033 0.000 1.019 1494 E CA -1.136 55.251 56.400 -0.022 0.000 0.806 1494 E CB 0.281 29.975 29.700 -0.010 0.000 1.246 1494 E HN 0.005 nan 8.360 nan 0.000 0.443 1495 N N 0.850 119.520 118.700 -0.049 0.000 2.357 1495 N HA -0.027 4.713 4.740 -0.000 0.000 0.257 1495 N C 0.808 176.266 175.510 -0.086 0.000 1.250 1495 N CA 0.120 53.113 53.050 -0.095 0.000 0.862 1495 N CB 0.560 38.970 38.487 -0.127 0.000 1.066 1495 N HN 0.552 nan 8.380 nan 0.000 0.468 1496 c N 1.618 120.158 118.600 -0.100 0.000 2.385 1496 c HA -0.156 4.414 4.570 -0.000 0.000 0.275 1496 c C 0.885 175.060 174.090 0.142 0.000 1.207 1496 c CA 0.937 57.289 56.329 0.038 0.000 1.760 1496 c CB -1.270 41.327 42.510 0.144 0.000 2.051 1496 c HN 0.793 nan 8.230 nan 0.000 0.467 1497 F N -3.209 116.678 119.950 -0.104 0.000 2.689 1497 F HA 0.616 5.143 4.527 -0.000 0.000 0.332 1497 F C -0.055 175.656 175.800 -0.148 0.000 1.209 1497 F CA -1.723 56.190 58.000 -0.146 0.000 1.028 1497 F CB -0.066 38.779 39.000 -0.258 0.000 1.291 1497 F HN 0.036 nan 8.300 nan 0.000 0.500 1498 I N 0.929 121.500 120.570 0.001 0.000 4.905 1498 I HA -0.457 3.712 4.170 -0.000 0.000 0.038 1498 I C 1.428 177.475 176.117 -0.116 0.000 0.635 1498 I CA 2.516 63.833 61.300 0.027 0.000 0.224 1498 I CB -1.566 36.563 38.000 0.215 0.000 0.328 1498 I HN 0.929 nan 8.210 nan 0.000 0.151 1499 Q N -1.308 118.416 119.800 -0.127 0.000 1.633 1499 Q HA 0.389 4.729 4.340 -0.000 0.000 0.145 1499 Q C 0.061 175.959 176.000 -0.170 0.000 0.419 1499 Q CA 0.095 55.808 55.803 -0.150 0.000 0.716 1499 Q CB 0.255 28.974 28.738 -0.031 0.000 0.787 1499 Q HN 0.490 nan 8.270 nan 0.000 0.206 1500 K N 1.274 121.641 120.400 -0.055 0.000 2.297 1500 K HA 0.334 4.654 4.320 -0.000 0.000 0.286 1500 K C 0.637 177.205 176.600 -0.053 0.000 1.053 1500 K CA 0.302 56.569 56.287 -0.032 0.000 0.940 1500 K CB 0.599 33.117 32.500 0.030 0.000 1.019 1500 K HN 0.462 nan 8.250 nan 0.000 0.475 1501 S N -0.110 115.563 115.700 -0.045 0.000 2.468 1501 S HA 0.022 4.492 4.470 -0.000 0.000 0.226 1501 S C 0.499 175.088 174.600 -0.018 0.000 1.051 1501 S CA 0.768 58.924 58.200 -0.073 0.000 0.943 1501 S CB 0.282 63.498 63.200 0.027 0.000 0.810 1501 S HN 0.686 nan 8.310 nan 0.000 0.509 1502 D N 0.857 121.258 120.400 0.003 0.000 2.527 1502 D HA 0.245 4.885 4.640 -0.000 0.000 0.224 1502 D C -0.931 175.380 176.300 0.018 0.000 1.217 1502 D CA 0.031 54.038 54.000 0.012 0.000 0.819 1502 D CB 0.326 41.124 40.800 -0.002 0.000 1.061 1502 D HN 0.288 nan 8.370 nan 0.000 0.515 1503 D N 2.133 122.547 120.400 0.023 0.000 2.483 1503 D HA 0.038 4.677 4.640 -0.000 0.000 0.220 1503 D C -0.135 176.190 176.300 0.041 0.000 1.173 1503 D CA -0.174 53.840 54.000 0.024 0.000 0.964 1503 D CB -0.274 40.535 40.800 0.016 0.000 1.046 1503 D HN 0.044 nan 8.370 nan 0.000 0.517 1504 K N 0.388 120.809 120.400 0.036 0.000 4.838 1504 K HA -0.197 4.123 4.320 -0.000 0.000 0.300 1504 K C -0.559 176.079 176.600 0.063 0.000 0.861 1504 K CA 0.420 56.731 56.287 0.040 0.000 0.929 1504 K CB -2.224 30.294 32.500 0.030 0.000 1.772 1504 K HN 0.138 nan 8.250 nan 0.000 0.422 1505 V N 0.187 120.148 119.914 0.078 0.000 2.407 1505 V HA 0.675 4.795 4.120 -0.000 0.000 0.278 1505 V C 0.654 176.783 176.094 0.059 0.000 1.037 1505 V CA 0.210 62.575 62.300 0.108 0.000 0.900 1505 V CB 1.426 33.363 31.823 0.190 0.000 0.983 1505 V HN 0.691 nan 8.190 nan 0.000 0.459 1506 T N 2.044 116.624 114.554 0.044 0.000 2.870 1506 T HA 0.500 4.850 4.350 -0.000 0.000 0.277 1506 T C 0.906 175.614 174.700 0.014 0.000 1.000 1506 T CA -0.444 61.670 62.100 0.024 0.000 0.982 1506 T CB 1.617 70.498 68.868 0.023 0.000 1.249 1506 T HN 0.594 nan 8.240 nan 0.000 0.589 1507 L N 0.033 121.271 121.223 0.025 0.000 2.217 1507 L HA 0.031 4.371 4.340 -0.000 0.000 0.211 1507 L C 2.309 179.214 176.870 0.059 0.000 1.107 1507 L CA 1.446 56.319 54.840 0.055 0.000 0.783 1507 L CB -0.299 41.797 42.059 0.062 0.000 0.919 1507 L HN 0.716 nan 8.230 nan 0.000 0.442 1508 E N -0.517 119.700 120.200 0.028 0.000 2.170 1508 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 1508 E C 1.993 178.590 176.600 -0.004 0.000 0.981 1508 E CA 0.462 56.870 56.400 0.013 0.000 0.830 1508 E CB 0.030 29.733 29.700 0.005 0.000 0.775 1508 E HN 0.298 nan 8.360 nan 0.000 0.470 1509 E N 0.592 120.789 120.200 -0.005 0.000 2.204 1509 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 1509 E C 1.826 178.374 176.600 -0.086 0.000 0.989 1509 E CA 0.766 57.157 56.400 -0.015 0.000 0.824 1509 E CB -0.006 29.710 29.700 0.027 0.000 0.756 1509 E HN 0.273 nan 8.360 nan 0.000 0.477 1510 R N 0.035 120.461 120.500 -0.123 0.000 2.090 1510 R HA 0.152 4.492 4.340 -0.000 0.000 0.219 1510 R C 2.599 178.817 176.300 -0.136 0.000 1.100 1510 R CA 0.297 56.226 56.100 -0.285 0.000 0.991 1510 R CB -0.235 29.764 30.300 -0.501 0.000 0.893 1510 R HN 0.084 nan 8.270 nan 0.000 0.443 1511 L N 1.123 122.388 121.223 0.070 0.000 2.261 1511 L HA -0.195 4.145 4.340 -0.000 0.000 0.216 1511 L C 1.194 178.012 176.870 -0.085 0.000 1.114 1511 L CA 1.013 55.881 54.840 0.047 0.000 0.777 1511 L CB -0.331 41.740 42.059 0.020 0.000 0.910 1511 L HN 0.182 nan 8.230 nan 0.000 0.440 1512 D N -0.223 120.120 120.400 -0.095 0.000 2.201 1512 D HA -0.073 4.567 4.640 -0.000 0.000 0.209 1512 D C 1.997 178.216 176.300 -0.134 0.000 0.961 1512 D CA 0.948 54.890 54.000 -0.096 0.000 0.861 1512 D CB 0.078 40.844 40.800 -0.056 0.000 0.997 1512 D HN 0.173 nan 8.370 nan 0.000 0.486 1513 K N 0.303 120.599 120.400 -0.174 0.000 2.459 1513 K HA 0.200 4.520 4.320 -0.000 0.000 0.193 1513 K C 1.198 177.534 176.600 -0.440 0.000 1.030 1513 K CA 0.275 56.461 56.287 -0.169 0.000 1.026 1513 K CB 0.497 32.967 32.500 -0.050 0.000 0.809 1513 K HN -0.028 nan 8.250 nan 0.000 0.504 1514 A N -0.324 122.109 122.820 -0.645 0.000 2.430 1514 A HA 0.089 4.409 4.320 -0.000 0.000 0.243 1514 A C 1.040 178.339 177.584 -0.474 0.000 1.254 1514 A CA -0.100 51.365 52.037 -0.953 0.000 0.914 1514 A CB 0.055 18.462 19.000 -0.988 0.000 0.998 1514 A HN 0.291 nan 8.150 nan 0.000 0.515 1515 c N 0.425 118.847 118.600 -0.297 0.000 3.240 1515 c HA 0.273 4.843 4.570 -0.000 0.000 0.271 1515 c C 0.692 174.708 174.090 -0.124 0.000 1.534 1515 c CA -0.777 55.441 56.329 -0.185 0.000 1.796 1515 c CB -1.167 41.255 42.510 -0.147 0.000 2.892 1515 c HN 0.565 nan 8.230 nan 0.000 0.566 1516 E N 1.978 122.103 120.200 -0.124 0.000 2.391 1516 E HA 0.082 4.431 4.350 -0.000 0.000 0.255 1516 E C -1.425 175.157 176.600 -0.031 0.000 1.187 1516 E CA -0.944 55.422 56.400 -0.057 0.000 0.941 1516 E CB 0.559 30.242 29.700 -0.028 0.000 1.010 1516 E HN 0.074 nan 8.360 nan 0.000 0.458 1517 P HA -0.195 nan 4.420 nan 0.000 0.211 1517 P C 1.275 178.595 177.300 0.034 0.000 1.181 1517 P CA 1.564 64.674 63.100 0.017 0.000 0.929 1517 P CB -0.197 31.519 31.700 0.028 0.000 0.789 1518 G N -0.484 108.348 108.800 0.053 0.000 2.501 1518 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.220 1518 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.220 1518 G C 0.363 175.312 174.900 0.082 0.000 1.114 1518 G CA 0.138 45.288 45.100 0.083 0.000 0.757 1518 G HN 0.217 nan 8.290 nan 0.000 0.559 1519 V N 1.751 121.683 119.914 0.030 0.000 2.486 1519 V HA -0.021 4.098 4.120 -0.000 0.000 0.290 1519 V C 1.177 177.283 176.094 0.019 0.000 0.991 1519 V CA 1.134 63.420 62.300 -0.023 0.000 1.142 1519 V CB 0.842 32.582 31.823 -0.138 0.000 0.926 1519 V HN 0.471 nan 8.190 nan 0.000 0.472 1520 D N 4.012 124.448 120.400 0.060 0.000 2.766 1520 D HA 0.040 4.679 4.640 -0.000 0.000 0.284 1520 D C 0.195 176.631 176.300 0.227 0.000 1.050 1520 D CA 0.273 54.393 54.000 0.200 0.000 0.945 1520 D CB 0.762 41.802 40.800 0.400 0.000 1.272 1520 D HN 0.570 nan 8.370 nan 0.000 0.482 1521 Y N -0.054 120.323 120.300 0.129 0.000 2.462 1521 Y HA 0.666 5.216 4.550 -0.000 0.000 0.346 1521 Y C -1.276 174.491 175.900 -0.223 0.000 0.976 1521 Y CA -1.241 56.814 58.100 -0.076 0.000 1.044 1521 Y CB 1.897 40.418 38.460 0.103 0.000 1.230 1521 Y HN -0.267 nan 8.280 nan 0.000 0.455 1522 V N 4.639 124.282 119.914 -0.452 0.000 2.567 1522 V HA 0.416 4.535 4.120 -0.000 0.000 0.298 1522 V C -1.479 174.445 176.094 -0.283 0.000 1.047 1522 V CA -0.867 61.318 62.300 -0.191 0.000 0.880 1522 V CB 0.679 32.526 31.823 0.041 0.000 1.009 1522 V HN 0.782 nan 8.190 nan 0.000 0.429 1523 Y N 1.723 122.232 120.300 0.348 0.000 2.576 1523 Y HA 0.576 5.126 4.550 -0.000 0.000 0.346 1523 Y C 0.086 176.091 175.900 0.175 0.000 1.018 1523 Y CA -1.515 56.723 58.100 0.230 0.000 1.050 1523 Y CB 2.044 40.622 38.460 0.195 0.000 1.280 1523 Y HN 0.487 nan 8.280 nan 0.000 0.474 1524 K N 2.337 122.872 120.400 0.224 0.000 2.357 1524 K HA 0.364 4.684 4.320 -0.000 0.000 0.251 1524 K C -0.785 175.809 176.600 -0.010 0.000 1.069 1524 K CA -0.249 56.034 56.287 -0.008 0.000 0.994 1524 K CB 0.147 32.437 32.500 -0.351 0.000 1.411 1524 K HN 0.888 nan 8.250 nan 0.000 0.450 1525 T N 0.355 114.939 114.554 0.050 0.000 2.927 1525 T HA 0.405 4.755 4.350 -0.000 0.000 0.281 1525 T C -0.219 174.482 174.700 0.002 0.000 0.998 1525 T CA -0.981 61.133 62.100 0.023 0.000 1.019 1525 T CB 1.650 70.515 68.868 -0.005 0.000 1.061 1525 T HN 0.526 nan 8.240 nan 0.000 0.518 1526 R N 1.369 121.843 120.500 -0.044 0.000 2.451 1526 R HA 0.438 4.778 4.340 -0.000 0.000 0.307 1526 R C -1.186 175.068 176.300 -0.076 0.000 0.965 1526 R CA -0.968 55.041 56.100 -0.152 0.000 0.865 1526 R CB 1.068 31.207 30.300 -0.268 0.000 1.174 1526 R HN 0.614 nan 8.270 nan 0.000 0.455 1527 L N 6.079 127.286 121.223 -0.026 0.000 2.500 1527 L HA 0.056 4.396 4.340 -0.000 0.000 0.272 1527 L C 0.126 176.994 176.870 -0.003 0.000 1.149 1527 L CA 0.712 55.556 54.840 0.006 0.000 0.897 1527 L CB 1.310 43.393 42.059 0.040 0.000 1.178 1527 L HN 0.621 nan 8.230 nan 0.000 0.473 1528 V N 4.102 124.022 119.914 0.011 0.000 2.581 1528 V HA 0.164 4.284 4.120 -0.000 0.000 0.240 1528 V C 0.858 176.962 176.094 0.017 0.000 1.054 1528 V CA 0.680 62.983 62.300 0.004 0.000 1.076 1528 V CB -0.341 31.485 31.823 0.006 0.000 0.748 1528 V HN 0.790 nan 8.190 nan 0.000 0.474 1529 K N 0.150 120.569 120.400 0.032 0.000 2.422 1529 K HA 0.626 4.946 4.320 -0.000 0.000 0.251 1529 K C -1.898 174.719 176.600 0.029 0.000 0.933 1529 K CA -0.425 55.874 56.287 0.021 0.000 0.798 1529 K CB 2.612 35.117 32.500 0.008 0.000 1.238 1529 K HN -0.013 nan 8.250 nan 0.000 0.428 1530 V N 4.451 124.367 119.914 0.003 0.000 2.357 1530 V HA 0.281 4.400 4.120 -0.000 0.000 0.281 1530 V C -0.641 175.384 176.094 -0.115 0.000 1.015 1530 V CA -0.784 61.493 62.300 -0.039 0.000 0.827 1530 V CB 1.235 33.081 31.823 0.038 0.000 1.018 1530 V HN 0.779 nan 8.190 nan 0.000 0.432 1531 Q N 3.613 123.296 119.800 -0.195 0.000 2.215 1531 Q HA 0.804 5.144 4.340 -0.000 0.000 0.256 1531 Q C -1.128 174.698 176.000 -0.291 0.000 0.972 1531 Q CA -0.803 54.882 55.803 -0.198 0.000 0.889 1531 Q CB 3.186 31.820 28.738 -0.172 0.000 1.281 1531 Q HN 0.584 nan 8.270 nan 0.000 0.456 1532 L N 0.626 121.711 121.223 -0.230 0.000 2.505 1532 L HA 0.405 4.745 4.340 -0.000 0.000 0.266 1532 L C -1.210 175.554 176.870 -0.177 0.000 0.954 1532 L CA -0.135 54.562 54.840 -0.237 0.000 0.852 1532 L CB 2.303 44.264 42.059 -0.164 0.000 1.282 1532 L HN 0.628 nan 8.230 nan 0.000 0.403 1533 S N 1.514 117.093 115.700 -0.202 0.000 2.786 1533 S HA 0.352 4.822 4.470 -0.000 0.000 0.307 1533 S C 0.434 175.035 174.600 0.001 0.000 1.121 1533 S CA -0.643 57.511 58.200 -0.077 0.000 0.975 1533 S CB 1.550 64.731 63.200 -0.031 0.000 1.220 1533 S HN 0.721 nan 8.310 nan 0.000 0.550 1534 N N 0.818 119.551 118.700 0.055 0.000 2.412 1534 N HA 0.001 4.740 4.740 -0.000 0.000 0.184 1534 N C 0.045 175.608 175.510 0.088 0.000 1.101 1534 N CA 0.639 53.721 53.050 0.054 0.000 0.881 1534 N CB -0.059 38.453 38.487 0.042 0.000 0.969 1534 N HN 0.657 nan 8.380 nan 0.000 0.459 1535 D N -1.769 118.738 120.400 0.178 0.000 2.520 1535 D HA 0.162 4.802 4.640 -0.000 0.000 0.223 1535 D C -0.048 176.461 176.300 0.349 0.000 1.186 1535 D CA -0.363 53.750 54.000 0.187 0.000 0.821 1535 D CB -0.136 40.726 40.800 0.103 0.000 1.072 1535 D HN 0.252 nan 8.370 nan 0.000 0.518 1536 F N -0.745 119.181 119.950 -0.039 0.000 2.780 1536 F HA 0.361 4.888 4.527 -0.000 0.000 0.320 1536 F C -2.132 173.626 175.800 -0.070 0.000 1.118 1536 F CA -1.619 56.352 58.000 -0.050 0.000 0.964 1536 F CB 0.639 39.607 39.000 -0.054 0.000 1.249 1536 F HN -0.162 nan 8.300 nan 0.000 0.455 1537 D N 0.759 120.989 120.400 -0.284 0.000 2.487 1537 D HA 0.716 5.356 4.640 -0.000 0.000 0.262 1537 D C -1.139 174.806 176.300 -0.593 0.000 1.130 1537 D CA -0.262 53.447 54.000 -0.485 0.000 1.038 1537 D CB 1.744 42.333 40.800 -0.352 0.000 1.142 1537 D HN 0.916 nan 8.370 nan 0.000 0.575 1538 E N -2.367 117.387 120.200 -0.744 0.000 2.423 1538 E HA 0.487 4.837 4.350 -0.000 0.000 0.280 1538 E C -1.602 174.506 176.600 -0.820 0.000 1.030 1538 E CA -1.085 54.970 56.400 -0.576 0.000 0.812 1538 E CB 1.163 30.654 29.700 -0.349 0.000 1.313 1538 E HN 0.480 nan 8.360 nan 0.000 0.456 1539 Y N 0.370 120.682 120.300 0.020 0.000 2.315 1539 Y HA 0.379 4.929 4.550 -0.000 0.000 0.324 1539 Y C -0.441 175.510 175.900 0.084 0.000 1.062 1539 Y CA -0.883 57.223 58.100 0.010 0.000 1.159 1539 Y CB 1.536 39.960 38.460 -0.061 0.000 1.145 1539 Y HN 0.409 nan 8.280 nan 0.000 0.442 1540 I N 5.261 125.926 120.570 0.159 0.000 2.293 1540 I HA 0.214 4.384 4.170 -0.000 0.000 0.299 1540 I C -0.318 175.873 176.117 0.123 0.000 1.153 1540 I CA 0.369 61.754 61.300 0.140 0.000 1.302 1540 I CB -0.148 37.896 38.000 0.073 0.000 1.460 1540 I HN 0.512 nan 8.210 nan 0.000 0.552 1541 M N 4.876 124.571 119.600 0.159 0.000 2.404 1541 M HA 0.603 5.083 4.480 -0.000 0.000 0.338 1541 M C -0.058 176.283 176.300 0.068 0.000 1.150 1541 M CA -0.499 54.842 55.300 0.068 0.000 1.016 1541 M CB 2.080 34.649 32.600 -0.051 0.000 1.672 1541 M HN 0.518 nan 8.290 nan 0.000 0.448 1542 A N 3.949 126.780 122.820 0.019 0.000 2.276 1542 A HA 0.671 4.990 4.320 -0.000 0.000 0.316 1542 A C -0.303 177.274 177.584 -0.012 0.000 1.229 1542 A CA -0.699 51.341 52.037 0.005 0.000 0.851 1542 A CB 0.252 19.250 19.000 -0.002 0.000 1.165 1542 A HN 0.899 nan 8.150 nan 0.000 0.513 1543 I N 2.489 123.037 120.570 -0.037 0.000 2.517 1543 I HA 0.049 4.219 4.170 -0.000 0.000 0.285 1543 I C 0.908 177.012 176.117 -0.021 0.000 1.106 1543 I CA 0.290 61.560 61.300 -0.050 0.000 1.402 1543 I CB 0.794 38.689 38.000 -0.175 0.000 1.399 1543 I HN 0.847 nan 8.210 nan 0.000 0.535 1544 E N 5.195 125.391 120.200 -0.007 0.000 2.447 1544 E HA -0.004 4.346 4.350 -0.000 0.000 0.195 1544 E C -0.156 176.436 176.600 -0.014 0.000 1.028 1544 E CA 0.177 56.566 56.400 -0.019 0.000 0.876 1544 E CB 0.419 30.094 29.700 -0.042 0.000 0.885 1544 E HN 0.702 nan 8.360 nan 0.000 0.500 1545 Q N -0.448 119.367 119.800 0.026 0.000 2.574 1545 Q HA 0.171 4.511 4.340 -0.000 0.000 0.265 1545 Q C -1.124 174.988 176.000 0.187 0.000 0.975 1545 Q CA -0.768 55.075 55.803 0.066 0.000 0.923 1545 Q CB 0.779 29.530 28.738 0.023 0.000 1.518 1545 Q HN -0.056 nan 8.270 nan 0.000 0.401 1546 T N 0.547 115.229 114.554 0.212 0.000 3.016 1546 T HA 0.405 4.755 4.350 -0.000 0.000 0.335 1546 T C 1.014 175.853 174.700 0.232 0.000 1.176 1546 T CA -0.609 61.712 62.100 0.369 0.000 0.987 1546 T CB -0.298 68.772 68.868 0.336 0.000 1.073 1546 T HN 0.652 nan 8.240 nan 0.000 0.547 1547 I N 0.902 121.592 120.570 0.200 0.000 2.264 1547 I HA -0.027 4.142 4.170 -0.000 0.000 0.248 1547 I C 1.412 177.561 176.117 0.053 0.000 1.111 1547 I CA 1.171 62.532 61.300 0.103 0.000 1.382 1547 I CB -0.008 38.066 38.000 0.122 0.000 1.060 1547 I HN 0.524 nan 8.210 nan 0.000 0.418 1548 K N 0.901 121.329 120.400 0.046 0.000 2.687 1548 K HA 0.272 4.592 4.320 -0.000 0.000 0.249 1548 K C -0.950 175.711 176.600 0.103 0.000 0.994 1548 K CA -0.292 56.017 56.287 0.036 0.000 0.913 1548 K CB 1.420 33.905 32.500 -0.024 0.000 1.202 1548 K HN -0.144 nan 8.250 nan 0.000 0.460 1549 S N 1.718 117.520 115.700 0.171 0.000 2.549 1549 S HA 0.287 4.757 4.470 -0.000 0.000 0.283 1549 S C 0.478 175.220 174.600 0.236 0.000 1.320 1549 S CA -0.168 58.186 58.200 0.255 0.000 1.058 1549 S CB 1.351 64.669 63.200 0.197 0.000 0.882 1549 S HN 0.767 nan 8.310 nan 0.000 0.498 1550 G N 1.203 110.206 108.800 0.339 0.000 3.099 1550 G HA2 0.316 4.275 3.960 -0.000 0.000 0.151 1550 G HA3 0.316 4.275 3.960 -0.000 0.000 0.151 1550 G C 0.660 175.700 174.900 0.233 0.000 1.265 1550 G CA -0.521 44.777 45.100 0.329 0.000 0.981 1550 G HN 0.580 nan 8.290 nan 0.000 0.601 1551 S N -0.113 115.703 115.700 0.193 0.000 2.561 1551 S HA 0.062 4.532 4.470 -0.000 0.000 0.225 1551 S C 0.246 174.791 174.600 -0.092 0.000 0.977 1551 S CA 0.373 58.556 58.200 -0.028 0.000 0.926 1551 S CB -0.010 63.062 63.200 -0.214 0.000 0.769 1551 S HN 0.508 nan 8.310 nan 0.000 0.533 1552 D N 2.550 122.994 120.400 0.073 0.000 2.373 1552 D HA 0.107 4.747 4.640 -0.000 0.000 0.227 1552 D C -0.567 175.817 176.300 0.141 0.000 1.091 1552 D CA -0.377 53.676 54.000 0.087 0.000 0.840 1552 D CB 0.525 41.495 40.800 0.284 0.000 1.060 1552 D HN -0.074 nan 8.370 nan 0.000 0.502 1553 E N 2.873 123.112 120.200 0.065 0.000 1.881 1553 E HA 0.131 4.480 4.350 -0.000 0.000 0.264 1553 E C -0.505 176.133 176.600 0.064 0.000 1.243 1553 E CA -0.141 56.299 56.400 0.067 0.000 0.965 1553 E CB 1.017 30.736 29.700 0.032 0.000 1.055 1553 E HN 0.187 nan 8.360 nan 0.000 0.412 1554 V N 3.473 123.437 119.914 0.083 0.000 2.531 1554 V HA 0.215 4.335 4.120 -0.000 0.000 0.301 1554 V C -0.691 175.421 176.094 0.030 0.000 1.034 1554 V CA -0.755 61.569 62.300 0.039 0.000 0.865 1554 V CB 2.062 33.886 31.823 0.001 0.000 0.995 1554 V HN 0.414 nan 8.190 nan 0.000 0.424 1555 Q N 3.296 123.106 119.800 0.017 0.000 2.260 1555 Q HA 0.513 4.853 4.340 -0.000 0.000 0.238 1555 Q C -0.416 175.585 176.000 0.002 0.000 0.948 1555 Q CA -0.186 55.628 55.803 0.018 0.000 0.895 1555 Q CB 1.723 30.471 28.738 0.016 0.000 1.218 1555 Q HN 0.690 nan 8.270 nan 0.000 0.470 1556 V N 2.119 122.040 119.914 0.011 0.000 2.450 1556 V HA 0.339 4.459 4.120 -0.000 0.000 0.281 1556 V C 1.204 177.296 176.094 -0.004 0.000 1.019 1556 V CA 1.794 64.096 62.300 0.003 0.000 1.062 1556 V CB -0.101 31.730 31.823 0.014 0.000 0.979 1556 V HN 1.012 nan 8.190 nan 0.000 0.477 1557 G N 3.676 112.469 108.800 -0.012 0.000 2.699 1557 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.198 1557 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.198 1557 G C 0.212 175.108 174.900 -0.008 0.000 1.033 1557 G CA -0.244 44.851 45.100 -0.008 0.000 0.728 1557 G HN 0.570 nan 8.290 nan 0.000 0.484 1558 Q N 0.616 120.409 119.800 -0.010 0.000 2.524 1558 Q HA 0.481 4.820 4.340 -0.000 0.000 0.246 1558 Q C -0.054 175.945 176.000 -0.002 0.000 1.063 1558 Q CA 0.471 56.271 55.803 -0.004 0.000 0.945 1558 Q CB 0.376 29.113 28.738 -0.003 0.000 1.292 1558 Q HN 0.506 nan 8.270 nan 0.000 0.518 1559 Q N 1.080 120.890 119.800 0.017 0.000 2.322 1559 Q HA 0.379 4.719 4.340 -0.000 0.000 0.265 1559 Q C -0.884 175.154 176.000 0.065 0.000 0.985 1559 Q CA -0.630 55.197 55.803 0.040 0.000 0.849 1559 Q CB 1.522 30.286 28.738 0.044 0.000 1.274 1559 Q HN 0.192 nan 8.270 nan 0.000 0.449 1560 R N 1.749 122.309 120.500 0.100 0.000 2.387 1560 R HA 0.367 4.707 4.340 -0.000 0.000 0.314 1560 R C -0.636 175.779 176.300 0.191 0.000 0.958 1560 R CA -0.501 55.680 56.100 0.135 0.000 0.846 1560 R CB 1.582 31.953 30.300 0.119 0.000 1.147 1560 R HN 0.529 nan 8.270 nan 0.000 0.447 1561 T N 4.103 118.744 114.554 0.146 0.000 2.851 1561 T HA 0.319 4.668 4.350 -0.000 0.000 0.298 1561 T C -0.116 174.658 174.700 0.124 0.000 0.977 1561 T CA 0.336 62.543 62.100 0.178 0.000 1.126 1561 T CB 0.104 69.049 68.868 0.129 0.000 0.916 1561 T HN 0.172 nan 8.240 nan 0.000 0.529 1562 F N 2.361 122.412 119.950 0.168 0.000 2.480 1562 F HA 0.641 5.168 4.527 -0.000 0.000 0.329 1562 F C 0.353 176.256 175.800 0.172 0.000 1.091 1562 F CA -1.185 56.932 58.000 0.194 0.000 0.972 1562 F CB 1.191 40.289 39.000 0.163 0.000 1.150 1562 F HN 0.321 nan 8.300 nan 0.000 0.467 1563 I N 1.565 122.320 120.570 0.310 0.000 2.608 1563 I HA 0.509 4.679 4.170 -0.000 0.000 0.295 1563 I C -0.653 175.589 176.117 0.209 0.000 1.049 1563 I CA -0.544 60.884 61.300 0.212 0.000 1.063 1563 I CB 2.271 40.396 38.000 0.210 0.000 1.248 1563 I HN 0.498 nan 8.210 nan 0.000 0.424 1564 S N 5.820 121.625 115.700 0.176 0.000 2.556 1564 S HA 0.622 5.092 4.470 -0.000 0.000 0.271 1564 S C -2.821 171.858 174.600 0.132 0.000 1.135 1564 S CA -1.316 56.981 58.200 0.161 0.000 0.858 1564 S CB 2.232 65.562 63.200 0.217 0.000 1.114 1564 S HN 0.167 nan 8.310 nan 0.000 0.468 1565 P HA 0.184 nan 4.420 nan 0.000 0.269 1565 P C 0.738 178.082 177.300 0.073 0.000 1.217 1565 P CA -0.152 63.000 63.100 0.087 0.000 0.783 1565 P CB 0.328 32.053 31.700 0.042 0.000 0.898 1566 I N 1.055 121.664 120.570 0.065 0.000 2.830 1566 I HA -0.155 4.014 4.170 -0.000 0.000 0.263 1566 I C 1.279 177.413 176.117 0.028 0.000 1.230 1566 I CA 1.227 62.549 61.300 0.038 0.000 1.480 1566 I CB 0.021 38.043 38.000 0.037 0.000 1.095 1566 I HN 0.286 nan 8.210 nan 0.000 0.455 1567 K N -0.534 119.882 120.400 0.027 0.000 2.426 1567 K HA 0.062 4.382 4.320 -0.000 0.000 0.193 1567 K C 1.281 177.897 176.600 0.027 0.000 1.028 1567 K CA 0.247 56.544 56.287 0.017 0.000 1.047 1567 K CB 0.150 32.651 32.500 0.001 0.000 0.821 1567 K HN 0.340 nan 8.250 nan 0.000 0.513 1568 c N 1.271 119.897 118.600 0.044 0.000 2.525 1568 c HA 0.213 4.782 4.570 -0.000 0.000 0.313 1568 c C 1.716 175.846 174.090 0.067 0.000 1.311 1568 c CA -0.433 55.932 56.329 0.062 0.000 1.725 1568 c CB -1.184 41.374 42.510 0.080 0.000 1.926 1568 c HN 0.351 nan 8.230 nan 0.000 0.595 1569 R N 0.770 121.303 120.500 0.055 0.000 2.235 1569 R HA -0.093 4.246 4.340 -0.000 0.000 0.213 1569 R C 1.824 178.145 176.300 0.035 0.000 1.059 1569 R CA 0.809 56.942 56.100 0.055 0.000 0.997 1569 R CB 0.017 30.340 30.300 0.037 0.000 0.884 1569 R HN 0.640 nan 8.270 nan 0.000 0.462 1570 E N 0.427 120.647 120.200 0.033 0.000 2.452 1570 E HA 0.069 4.418 4.350 -0.000 0.000 0.197 1570 E C 1.428 178.055 176.600 0.046 0.000 1.022 1570 E CA 0.263 56.679 56.400 0.026 0.000 0.890 1570 E CB 0.292 30.004 29.700 0.020 0.000 0.918 1570 E HN 0.265 nan 8.360 nan 0.000 0.496 1571 A N 1.131 123.997 122.820 0.076 0.000 1.848 1571 A HA -0.041 4.278 4.320 -0.000 0.000 0.211 1571 A C 0.780 178.406 177.584 0.070 0.000 1.225 1571 A CA 0.710 52.862 52.037 0.192 0.000 0.637 1571 A CB -0.176 18.968 19.000 0.239 0.000 0.867 1571 A HN 0.282 nan 8.150 nan 0.000 0.463 1572 L N 0.551 121.691 121.223 -0.138 0.000 2.353 1572 L HA 0.261 4.601 4.340 -0.000 0.000 0.270 1572 L C -0.741 175.977 176.870 -0.253 0.000 1.003 1572 L CA -0.148 54.517 54.840 -0.293 0.000 0.862 1572 L CB 1.181 42.886 42.059 -0.589 0.000 1.221 1572 L HN 0.405 nan 8.230 nan 0.000 0.430 1573 K N 5.259 125.576 120.400 -0.137 0.000 1.985 1573 K HA 0.120 4.440 4.320 -0.000 0.000 0.234 1573 K C 0.010 176.535 176.600 -0.124 0.000 1.140 1573 K CA 0.047 56.283 56.287 -0.085 0.000 1.141 1573 K CB -0.121 32.360 32.500 -0.031 0.000 1.165 1573 K HN 0.466 nan 8.250 nan 0.000 0.301 1574 L N 3.208 124.263 121.223 -0.280 0.000 2.617 1574 L HA 0.020 4.360 4.340 -0.000 0.000 0.282 1574 L C 0.959 177.796 176.870 -0.055 0.000 1.174 1574 L CA 0.102 54.707 54.840 -0.392 0.000 1.016 1574 L CB -0.535 40.960 42.059 -0.941 0.000 1.337 1574 L HN 0.563 nan 8.230 nan 0.000 0.460 1575 E N 2.346 122.595 120.200 0.082 0.000 2.421 1575 E HA 0.116 4.466 4.350 -0.000 0.000 0.253 1575 E C -0.144 176.517 176.600 0.102 0.000 1.277 1575 E CA -0.426 56.032 56.400 0.095 0.000 0.968 1575 E CB 0.767 30.526 29.700 0.099 0.000 1.040 1575 E HN 0.465 nan 8.360 nan 0.000 0.512 1576 E N 1.135 121.373 120.200 0.063 0.000 2.266 1576 E HA 0.096 4.446 4.350 -0.000 0.000 0.277 1576 E C -0.592 176.009 176.600 0.002 0.000 1.018 1576 E CA -0.506 55.916 56.400 0.037 0.000 0.840 1576 E CB 0.999 30.713 29.700 0.024 0.000 1.082 1576 E HN 0.359 nan 8.360 nan 0.000 0.395 1577 K N 0.941 121.318 120.400 -0.039 0.000 3.230 1577 K HA -0.170 4.150 4.320 -0.000 0.000 0.285 1577 K C -0.780 175.697 176.600 -0.205 0.000 1.196 1577 K CA 1.025 57.243 56.287 -0.114 0.000 0.838 1577 K CB -1.544 30.916 32.500 -0.068 0.000 1.262 1577 K HN 0.528 nan 8.250 nan 0.000 0.492 1578 K N 0.607 120.894 120.400 -0.188 0.000 2.203 1578 K HA 0.376 4.695 4.320 -0.000 0.000 0.251 1578 K C 0.052 176.315 176.600 -0.563 0.000 0.944 1578 K CA -0.813 55.279 56.287 -0.324 0.000 0.829 1578 K CB 1.467 33.870 32.500 -0.161 0.000 1.125 1578 K HN 0.113 nan 8.250 nan 0.000 0.430 1579 H N 1.429 120.185 119.070 -0.522 0.000 2.481 1579 H HA 0.291 4.847 4.556 -0.000 0.000 0.339 1579 H C -0.843 174.043 175.328 -0.738 0.000 1.131 1579 H CA 0.006 55.774 56.048 -0.467 0.000 1.301 1579 H CB 0.842 30.357 29.762 -0.411 0.000 1.476 1579 H HN 0.460 nan 8.280 nan 0.000 0.529 1580 Y N 0.493 120.811 120.300 0.029 0.000 2.479 1580 Y HA 0.143 4.693 4.550 -0.000 0.000 0.338 1580 Y C -0.638 175.341 175.900 0.131 0.000 1.055 1580 Y CA -0.910 57.214 58.100 0.040 0.000 1.023 1580 Y CB 1.697 40.082 38.460 -0.125 0.000 1.287 1580 Y HN 0.369 nan 8.280 nan 0.000 0.447 1581 L N 4.583 126.050 121.223 0.407 0.000 2.264 1581 L HA 0.699 5.039 4.340 -0.000 0.000 0.289 1581 L C -1.113 175.892 176.870 0.225 0.000 1.044 1581 L CA -0.260 54.828 54.840 0.412 0.000 0.807 1581 L CB 0.286 42.674 42.059 0.548 0.000 1.192 1581 L HN 0.678 nan 8.230 nan 0.000 0.425 1582 M N 5.190 124.917 119.600 0.211 0.000 2.501 1582 M HA 0.559 5.039 4.480 -0.000 0.000 0.293 1582 M C -1.816 174.598 176.300 0.191 0.000 1.192 1582 M CA -0.417 54.927 55.300 0.074 0.000 0.886 1582 M CB 2.414 35.040 32.600 0.043 0.000 1.710 1582 M HN 0.710 nan 8.290 nan 0.000 0.457 1583 W N 0.750 122.075 121.300 0.043 0.000 3.479 1583 W HA 0.869 5.529 4.660 -0.000 0.000 0.304 1583 W C -1.226 175.064 176.519 -0.381 0.000 1.243 1583 W CA -0.878 56.249 57.345 -0.362 0.000 1.202 1583 W CB 0.207 29.518 29.460 -0.247 0.000 1.346 1583 W HN 0.788 nan 8.180 nan 0.000 0.539 1584 G N 1.533 109.930 108.800 -0.672 0.000 2.975 1584 G HA2 0.755 4.715 3.960 -0.000 0.000 0.291 1584 G HA3 0.755 4.715 3.960 -0.000 0.000 0.291 1584 G C -1.557 173.332 174.900 -0.018 0.000 1.334 1584 G CA -1.305 43.724 45.100 -0.119 0.000 0.843 1584 G HN 0.706 nan 8.290 nan 0.000 0.548 1585 L N 0.349 121.684 121.223 0.187 0.000 2.400 1585 L HA 0.348 4.688 4.340 -0.000 0.000 0.264 1585 L C 1.883 178.935 176.870 0.303 0.000 1.061 1585 L CA -0.402 54.565 54.840 0.212 0.000 0.799 1585 L CB 1.841 44.006 42.059 0.175 0.000 1.240 1585 L HN 0.706 nan 8.230 nan 0.000 0.461 1586 S N -1.635 114.273 115.700 0.346 0.000 2.489 1586 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 1586 S C 1.496 176.377 174.600 0.469 0.000 0.995 1586 S CA 0.607 59.134 58.200 0.544 0.000 0.934 1586 S CB -0.320 63.147 63.200 0.445 0.000 0.771 1586 S HN 0.754 nan 8.310 nan 0.000 0.522 1587 S N 0.801 116.672 115.700 0.283 0.000 2.607 1587 S HA 0.095 4.565 4.470 -0.000 0.000 0.224 1587 S C 0.461 175.183 174.600 0.204 0.000 0.969 1587 S CA 0.232 58.569 58.200 0.228 0.000 0.927 1587 S CB -0.241 63.061 63.200 0.170 0.000 0.772 1587 S HN 0.386 nan 8.310 nan 0.000 0.533 1588 D N 0.360 120.863 120.400 0.172 0.000 2.349 1588 D HA 0.308 4.948 4.640 -0.000 0.000 0.214 1588 D C -0.276 176.030 176.300 0.011 0.000 1.063 1588 D CA -0.270 53.785 54.000 0.091 0.000 0.847 1588 D CB -0.151 40.718 40.800 0.114 0.000 0.933 1588 D HN 0.353 nan 8.370 nan 0.000 0.513 1589 F N 0.430 120.427 119.950 0.078 0.000 2.506 1589 F HA 0.152 4.679 4.527 -0.000 0.000 0.351 1589 F C 0.605 176.510 175.800 0.174 0.000 1.136 1589 F CA 0.028 58.014 58.000 -0.024 0.000 1.298 1589 F CB 0.622 39.575 39.000 -0.080 0.000 1.145 1589 F HN -0.089 nan 8.300 nan 0.000 0.593 1590 W N 3.910 125.237 121.300 0.045 0.000 2.884 1590 W HA 0.460 5.119 4.660 -0.000 0.000 0.336 1590 W C -0.202 176.315 176.519 -0.002 0.000 1.038 1590 W CA -0.195 57.157 57.345 0.012 0.000 1.247 1590 W CB 1.582 31.039 29.460 -0.005 0.000 1.351 1590 W HN 0.852 nan 8.180 nan 0.000 0.446 1591 G N 3.629 112.092 108.800 -0.562 0.000 2.447 1591 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.220 1591 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.220 1591 G C -1.375 173.358 174.900 -0.278 0.000 1.261 1591 G CA -0.840 43.963 45.100 -0.496 0.000 1.000 1591 G HN 0.348 nan 8.290 nan 0.000 0.515 1592 E N 0.650 120.723 120.200 -0.212 0.000 2.222 1592 E HA 0.423 4.773 4.350 -0.000 0.000 0.267 1592 E C -0.063 176.463 176.600 -0.123 0.000 0.884 1592 E CA -0.794 55.512 56.400 -0.157 0.000 0.764 1592 E CB 1.802 31.416 29.700 -0.143 0.000 1.169 1592 E HN 0.600 nan 8.360 nan 0.000 0.413 1593 K N 2.071 122.400 120.400 -0.120 0.000 2.469 1593 K HA 0.059 4.379 4.320 -0.000 0.000 0.274 1593 K C -1.480 175.075 176.600 -0.075 0.000 0.983 1593 K CA -0.861 55.366 56.287 -0.100 0.000 0.974 1593 K CB 0.145 32.580 32.500 -0.109 0.000 0.913 1593 K HN 0.166 nan 8.250 nan 0.000 0.493 1594 P HA 0.010 nan 4.420 nan 0.000 0.245 1594 P C -0.713 176.561 177.300 -0.044 0.000 1.206 1594 P CA 0.469 63.540 63.100 -0.049 0.000 0.781 1594 P CB 0.279 31.961 31.700 -0.030 0.000 0.994 1595 N N 0.845 119.515 118.700 -0.050 0.000 3.050 1595 N HA 0.121 4.861 4.740 -0.000 0.000 0.289 1595 N C 0.000 175.476 175.510 -0.058 0.000 1.209 1595 N CA 0.371 53.395 53.050 -0.043 0.000 1.154 1595 N CB -0.439 38.021 38.487 -0.044 0.000 1.444 1595 N HN 0.220 nan 8.380 nan 0.000 0.529 1596 L N -0.291 120.904 121.223 -0.045 0.000 2.440 1596 L HA 0.565 4.905 4.340 -0.000 0.000 0.262 1596 L C 0.347 177.204 176.870 -0.021 0.000 1.072 1596 L CA -0.603 54.209 54.840 -0.045 0.000 0.798 1596 L CB 0.954 42.987 42.059 -0.043 0.000 1.307 1596 L HN 0.097 nan 8.230 nan 0.000 0.475 1597 S N -1.324 114.366 115.700 -0.017 0.000 2.566 1597 S HA 0.456 4.925 4.470 -0.000 0.000 0.273 1597 S C -1.306 173.217 174.600 -0.128 0.000 1.157 1597 S CA -0.677 57.529 58.200 0.010 0.000 0.938 1597 S CB 1.139 64.466 63.200 0.211 0.000 1.087 1597 S HN 0.219 nan 8.310 nan 0.000 0.474 1598 Y N 1.997 122.089 120.300 -0.346 0.000 2.301 1598 Y HA 0.488 5.037 4.550 -0.000 0.000 0.328 1598 Y C 0.512 176.288 175.900 -0.208 0.000 1.242 1598 Y CA -0.595 57.186 58.100 -0.532 0.000 1.323 1598 Y CB 0.543 38.208 38.460 -1.325 0.000 1.266 1598 Y HN 0.403 nan 8.280 nan 0.000 0.527 1599 I N 3.888 124.498 120.570 0.068 0.000 2.447 1599 I HA 0.220 4.389 4.170 -0.000 0.000 0.287 1599 I C -0.418 175.821 176.117 0.203 0.000 1.023 1599 I CA -0.885 60.482 61.300 0.110 0.000 1.083 1599 I CB 1.443 39.449 38.000 0.011 0.000 1.245 1599 I HN 0.560 nan 8.210 nan 0.000 0.434 1600 I N 6.252 126.962 120.570 0.235 0.000 2.352 1600 I HA 0.143 4.313 4.170 -0.000 0.000 0.303 1600 I C 1.164 177.364 176.117 0.138 0.000 1.194 1600 I CA 0.147 61.573 61.300 0.209 0.000 1.518 1600 I CB -0.205 37.896 38.000 0.169 0.000 1.489 1600 I HN 0.631 nan 8.210 nan 0.000 0.702 1601 G N 4.317 113.198 108.800 0.135 0.000 2.568 1601 G HA2 0.251 4.210 3.960 -0.000 0.000 0.293 1601 G HA3 0.251 4.210 3.960 -0.000 0.000 0.293 1601 G C 0.922 175.881 174.900 0.099 0.000 1.347 1601 G CA -0.569 44.590 45.100 0.097 0.000 1.039 1601 G HN 0.657 nan 8.290 nan 0.000 0.523 1602 K N -0.924 119.519 120.400 0.071 0.000 2.103 1602 K HA -0.085 4.234 4.320 -0.000 0.000 0.207 1602 K C 0.566 177.222 176.600 0.093 0.000 1.048 1602 K CA 1.825 58.147 56.287 0.058 0.000 0.930 1602 K CB 0.006 32.523 32.500 0.028 0.000 0.716 1602 K HN 0.208 nan 8.250 nan 0.000 0.444 1603 D N 1.076 121.544 120.400 0.114 0.000 2.325 1603 D HA 0.030 4.670 4.640 -0.000 0.000 0.225 1603 D C -0.394 176.013 176.300 0.179 0.000 1.096 1603 D CA 0.361 54.454 54.000 0.154 0.000 0.844 1603 D CB 0.478 41.365 40.800 0.144 0.000 0.925 1603 D HN 0.141 nan 8.370 nan 0.000 0.513 1604 T N 1.132 115.775 114.554 0.149 0.000 2.743 1604 T HA 0.059 4.409 4.350 -0.000 0.000 0.293 1604 T C -0.306 174.404 174.700 0.017 0.000 0.945 1604 T CA -0.644 61.523 62.100 0.112 0.000 1.030 1604 T CB 1.252 70.210 68.868 0.149 0.000 0.912 1604 T HN 0.138 nan 8.240 nan 0.000 0.483 1605 W N 5.743 126.786 121.300 -0.428 0.000 2.342 1605 W HA 0.483 5.143 4.660 -0.000 0.000 0.310 1605 W C -1.579 174.574 176.519 -0.609 0.000 1.128 1605 W CA -0.761 56.178 57.345 -0.678 0.000 1.322 1605 W CB 0.454 28.921 29.460 -1.655 0.000 1.251 1605 W HN 0.266 nan 8.180 nan 0.000 0.439 1606 V N 6.586 126.034 119.914 -0.776 0.000 2.357 1606 V HA 0.260 4.380 4.120 -0.000 0.000 0.284 1606 V C -0.210 175.446 176.094 -0.730 0.000 1.018 1606 V CA -0.552 61.332 62.300 -0.694 0.000 0.841 1606 V CB 1.412 32.749 31.823 -0.810 0.000 0.991 1606 V HN 0.526 nan 8.190 nan 0.000 0.437 1607 E N 2.790 122.806 120.200 -0.307 0.000 2.293 1607 E HA 0.414 4.764 4.350 -0.000 0.000 0.270 1607 E C -1.216 175.500 176.600 0.192 0.000 0.879 1607 E CA -0.922 55.419 56.400 -0.099 0.000 0.756 1607 E CB 1.843 31.596 29.700 0.088 0.000 1.208 1607 E HN 0.825 nan 8.360 nan 0.000 0.428 1608 H N 3.937 123.058 119.070 0.085 0.000 2.819 1608 H HA 0.100 4.656 4.556 -0.000 0.000 0.303 1608 H C -1.229 174.099 175.328 -0.000 0.000 1.058 1608 H CA -0.215 55.859 56.048 0.044 0.000 1.471 1608 H CB 0.510 30.277 29.762 0.008 0.000 1.480 1608 H HN 0.336 nan 8.280 nan 0.000 0.517 1609 W N 9.338 130.226 121.300 -0.687 0.000 2.308 1609 W HA 0.275 4.935 4.660 -0.000 0.000 0.311 1609 W C -2.740 173.458 176.519 -0.534 0.000 1.088 1609 W CA -2.995 54.096 57.345 -0.423 0.000 1.309 1609 W CB 0.699 30.011 29.460 -0.246 0.000 1.229 1609 W HN 0.631 nan 8.180 nan 0.000 0.427 1610 P HA -0.087 nan 4.420 nan 0.000 0.267 1610 P C -0.096 177.301 177.300 0.161 0.000 1.201 1610 P CA 0.504 63.632 63.100 0.047 0.000 0.775 1610 P CB 0.846 32.557 31.700 0.017 0.000 0.854 1611 E N 0.885 121.159 120.200 0.124 0.000 2.405 1611 E HA -0.016 4.334 4.350 -0.000 0.000 0.253 1611 E C 1.247 177.893 176.600 0.077 0.000 1.257 1611 E CA 0.002 56.469 56.400 0.112 0.000 0.960 1611 E CB 0.216 29.980 29.700 0.107 0.000 1.077 1611 E HN 0.352 nan 8.360 nan 0.000 0.512 1612 E N 0.353 120.580 120.200 0.044 0.000 2.051 1612 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 1612 E C 0.598 177.219 176.600 0.036 0.000 0.991 1612 E CA 2.021 58.440 56.400 0.033 0.000 0.799 1612 E CB -0.173 29.536 29.700 0.014 0.000 0.748 1612 E HN 0.559 nan 8.360 nan 0.000 0.449 1613 D N -0.672 119.749 120.400 0.036 0.000 2.336 1613 D HA -0.009 4.631 4.640 -0.000 0.000 0.228 1613 D C 0.686 177.005 176.300 0.033 0.000 1.120 1613 D CA 0.129 54.147 54.000 0.030 0.000 0.839 1613 D CB 0.008 40.824 40.800 0.026 0.000 0.932 1613 D HN 0.384 nan 8.370 nan 0.000 0.509 1614 E N -0.681 119.544 120.200 0.042 0.000 2.413 1614 E HA 0.073 4.423 4.350 -0.000 0.000 0.203 1614 E C 1.061 177.680 176.600 0.031 0.000 0.957 1614 E CA -0.006 56.420 56.400 0.043 0.000 0.950 1614 E CB 0.239 29.979 29.700 0.067 0.000 0.957 1614 E HN 0.232 nan 8.360 nan 0.000 0.497 1615 c N 2.056 120.673 118.600 0.028 0.000 2.466 1615 c HA -0.011 4.558 4.570 -0.000 0.000 0.283 1615 c C 2.237 176.333 174.090 0.010 0.000 1.472 1615 c CA 0.293 56.629 56.329 0.012 0.000 1.765 1615 c CB -0.623 41.895 42.510 0.012 0.000 1.724 1615 c HN 0.396 nan 8.230 nan 0.000 0.560 1616 Q N 0.768 120.577 119.800 0.014 0.000 2.230 1616 Q HA -0.007 4.333 4.340 -0.000 0.000 0.202 1616 Q C 0.632 176.637 176.000 0.008 0.000 0.963 1616 Q CA 0.810 56.619 55.803 0.011 0.000 0.866 1616 Q CB -0.527 28.218 28.738 0.012 0.000 0.931 1616 Q HN 0.626 nan 8.270 nan 0.000 0.452 1617 D N 2.360 122.766 120.400 0.009 0.000 2.458 1617 D HA -0.082 4.558 4.640 -0.000 0.000 0.243 1617 D C 0.635 176.937 176.300 0.002 0.000 1.146 1617 D CA 0.145 54.148 54.000 0.006 0.000 0.877 1617 D CB 0.662 41.466 40.800 0.008 0.000 1.176 1617 D HN 0.241 nan 8.370 nan 0.000 0.461 1618 E N 2.048 122.248 120.200 0.001 0.000 2.461 1618 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 1618 E C 0.288 176.887 176.600 -0.003 0.000 1.129 1618 E CA 0.536 56.935 56.400 -0.001 0.000 0.902 1618 E CB -0.020 29.680 29.700 -0.000 0.000 0.963 1618 E HN 0.576 nan 8.360 nan 0.000 0.503 1619 E N 0.135 120.333 120.200 -0.003 0.000 2.508 1619 E HA 0.118 4.468 4.350 -0.000 0.000 0.217 1619 E C 0.703 177.299 176.600 -0.007 0.000 0.896 1619 E CA 0.004 56.401 56.400 -0.005 0.000 1.118 1619 E CB 0.405 30.101 29.700 -0.006 0.000 1.133 1619 E HN 0.319 nan 8.360 nan 0.000 0.526 1620 N N 0.649 119.345 118.700 -0.006 0.000 2.205 1620 N HA 0.044 4.784 4.740 -0.000 0.000 0.201 1620 N C 1.319 176.815 175.510 -0.023 0.000 1.128 1620 N CA -0.060 52.984 53.050 -0.011 0.000 0.867 1620 N CB 0.477 38.965 38.487 0.002 0.000 0.996 1620 N HN 0.048 nan 8.380 nan 0.000 0.503 1621 Q N 0.959 120.748 119.800 -0.017 0.000 2.079 1621 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 1621 Q C 1.751 177.734 176.000 -0.029 0.000 0.974 1621 Q CA 1.139 56.930 55.803 -0.020 0.000 0.840 1621 Q CB 0.017 28.749 28.738 -0.010 0.000 0.898 1621 Q HN 0.064 nan 8.270 nan 0.000 0.430 1622 K N 1.183 121.569 120.400 -0.024 0.000 2.211 1622 K HA -0.204 4.115 4.320 -0.000 0.000 0.204 1622 K C 1.783 178.359 176.600 -0.040 0.000 1.047 1622 K CA 1.444 57.717 56.287 -0.023 0.000 0.935 1622 K CB 0.022 32.513 32.500 -0.014 0.000 0.728 1622 K HN 0.197 nan 8.250 nan 0.000 0.452 1623 Q N -1.401 118.364 119.800 -0.059 0.000 2.297 1623 Q HA -0.007 4.332 4.340 -0.000 0.000 0.203 1623 Q C 1.753 177.648 176.000 -0.174 0.000 0.931 1623 Q CA 0.855 56.597 55.803 -0.102 0.000 0.885 1623 Q CB 0.069 28.751 28.738 -0.094 0.000 0.991 1623 Q HN 0.380 nan 8.270 nan 0.000 0.498 1624 c N 1.009 119.523 118.600 -0.144 0.000 2.440 1624 c HA -0.079 4.490 4.570 -0.000 0.000 0.278 1624 c C 2.452 176.471 174.090 -0.117 0.000 1.295 1624 c CA 0.729 56.959 56.329 -0.164 0.000 1.738 1624 c CB -0.651 41.810 42.510 -0.081 0.000 1.987 1624 c HN 0.586 nan 8.230 nan 0.000 0.492 1625 Q N 0.478 120.236 119.800 -0.069 0.000 2.123 1625 Q HA -0.135 4.205 4.340 -0.000 0.000 0.199 1625 Q C 1.576 177.559 176.000 -0.028 0.000 0.966 1625 Q CA 1.214 56.997 55.803 -0.033 0.000 0.845 1625 Q CB -0.169 28.560 28.738 -0.015 0.000 0.907 1625 Q HN 0.638 nan 8.270 nan 0.000 0.439 1626 D N 0.836 121.205 120.400 -0.051 0.000 2.117 1626 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 1626 D C 1.937 178.218 176.300 -0.032 0.000 0.982 1626 D CA 0.872 54.855 54.000 -0.029 0.000 0.828 1626 D CB -0.115 40.659 40.800 -0.043 0.000 0.967 1626 D HN 0.155 nan 8.370 nan 0.000 0.464 1627 L N 0.504 121.618 121.223 -0.181 0.000 2.056 1627 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 1627 L C 2.546 179.383 176.870 -0.056 0.000 1.078 1627 L CA 1.414 56.064 54.840 -0.317 0.000 0.749 1627 L CB -0.701 40.748 42.059 -1.018 0.000 0.901 1627 L HN 0.097 nan 8.230 nan 0.000 0.433 1628 G N -0.547 108.235 108.800 -0.031 0.000 2.422 1628 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.218 1628 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.218 1628 G C 1.750 176.718 174.900 0.113 0.000 1.146 1628 G CA 0.800 45.964 45.100 0.106 0.000 0.769 1628 G HN 0.464 nan 8.290 nan 0.000 0.547 1629 A N 0.371 123.243 122.820 0.087 0.000 1.898 1629 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 1629 A C 2.151 179.808 177.584 0.120 0.000 1.181 1629 A CA 1.409 53.499 52.037 0.087 0.000 0.620 1629 A CB -0.548 18.496 19.000 0.072 0.000 0.819 1629 A HN 0.397 nan 8.150 nan 0.000 0.442 1630 F N 1.544 121.504 119.950 0.016 0.000 2.269 1630 F HA -0.145 4.381 4.527 -0.000 0.000 0.301 1630 F C 2.327 178.166 175.800 0.064 0.000 1.082 1630 F CA 2.062 60.075 58.000 0.023 0.000 1.360 1630 F CB -0.398 38.608 39.000 0.010 0.000 1.041 1630 F HN 0.207 nan 8.300 nan 0.000 0.512 1631 T N 0.109 114.771 114.554 0.180 0.000 2.668 1631 T HA -0.184 4.165 4.350 -0.000 0.000 0.262 1631 T C 1.729 176.420 174.700 -0.015 0.000 1.045 1631 T CA 1.798 63.976 62.100 0.130 0.000 1.152 1631 T CB -0.328 68.695 68.868 0.259 0.000 0.864 1631 T HN 0.361 nan 8.240 nan 0.000 0.419 1632 E N 0.984 121.185 120.200 0.002 0.000 2.153 1632 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 1632 E C 2.209 178.758 176.600 -0.084 0.000 0.988 1632 E CA 0.828 57.201 56.400 -0.045 0.000 0.811 1632 E CB -0.149 29.533 29.700 -0.030 0.000 0.746 1632 E HN 0.282 nan 8.360 nan 0.000 0.466 1633 S N -0.488 115.171 115.700 -0.069 0.000 2.603 1633 S HA -0.013 4.457 4.470 -0.000 0.000 0.229 1633 S C 1.520 176.062 174.600 -0.095 0.000 0.972 1633 S CA 0.521 58.715 58.200 -0.010 0.000 0.935 1633 S CB 0.123 63.311 63.200 -0.021 0.000 0.769 1633 S HN 0.131 nan 8.310 nan 0.000 0.536 1634 M N 0.094 119.568 119.600 -0.210 0.000 2.777 1634 M HA 0.153 4.633 4.480 -0.000 0.000 0.244 1634 M C 2.134 178.365 176.300 -0.114 0.000 1.457 1634 M CA 0.774 55.933 55.300 -0.234 0.000 1.174 1634 M CB -0.953 31.392 32.600 -0.426 0.000 1.321 1634 M HN 0.288 nan 8.290 nan 0.000 0.546 1635 V N -1.707 118.149 119.914 -0.097 0.000 2.237 1635 V HA -0.130 3.990 4.120 -0.000 0.000 0.245 1635 V C 2.165 178.215 176.094 -0.075 0.000 1.046 1635 V CA 2.079 64.341 62.300 -0.062 0.000 1.007 1635 V CB -1.701 30.093 31.823 -0.048 0.000 0.638 1635 V HN 0.256 nan 8.190 nan 0.000 0.445 1636 V N -0.710 119.121 119.914 -0.139 0.000 2.407 1636 V HA 0.057 4.177 4.120 -0.000 0.000 0.245 1636 V C 1.792 177.794 176.094 -0.155 0.000 1.041 1636 V CA 1.314 63.491 62.300 -0.206 0.000 1.040 1636 V CB -0.069 31.532 31.823 -0.371 0.000 0.671 1636 V HN 0.461 nan 8.190 nan 0.000 0.455 1637 F N 0.224 120.131 119.950 -0.071 0.000 2.451 1637 F HA 0.610 5.136 4.527 -0.000 0.000 0.174 1637 F C 1.247 176.992 175.800 -0.091 0.000 0.806 1637 F CA 0.635 58.589 58.000 -0.077 0.000 0.999 1637 F CB -0.098 38.849 39.000 -0.087 0.000 2.275 1637 F HN 0.341 nan 8.300 nan 0.000 0.714 1638 G N -1.249 107.632 108.800 0.135 0.000 2.369 1638 G HA2 0.001 3.960 3.960 -0.000 0.000 0.293 1638 G HA3 0.001 3.960 3.960 -0.000 0.000 0.293 1638 G C -2.074 172.787 174.900 -0.065 0.000 1.301 1638 G CA -1.272 43.820 45.100 -0.013 0.000 0.913 1638 G HN 0.577 nan 8.290 nan 0.000 0.540 1639 c N 2.529 121.078 118.600 -0.085 0.000 2.651 1639 c HA 0.534 5.104 4.570 -0.000 0.000 0.410 1639 c C -0.952 173.090 174.090 -0.080 0.000 1.372 1639 c CA -0.250 56.021 56.329 -0.096 0.000 1.707 1639 c CB -0.424 42.029 42.510 -0.095 0.000 2.501 1639 c HN 0.655 nan 8.230 nan 0.000 0.598 1640 P HA 0.629 nan 4.420 nan 0.000 0.286 1640 P C -0.675 176.582 177.300 -0.072 0.000 1.292 1640 P CA -0.503 62.542 63.100 -0.092 0.000 0.842 1640 P CB 0.581 32.203 31.700 -0.130 0.000 1.207 1641 N N 0.000 118.662 118.700 -0.063 0.000 1.763 1641 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1641 N CA 0.000 53.020 53.050 -0.049 0.000 0.885 1641 N CB 0.000 38.458 38.487 -0.049 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667