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_B 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 PETXXXXXXA KNTMILEIcT RYRGDQDATM DATA SEQUENCE SILDISMMTG FAPDTDDLKQ LANGVDRYIS KYELDKAFSD RNTLIIYLDK DATA SEQUENCE VSHSEDDcLA FKVHQYFNVE LIQPGAVKVY AYYNLEEScT RFYHPEKEDG DATA SEQUENCE KLNKLcRDEL cRcAEENcFI XXSDDKVTLE 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 0.013 0.000 1.165 729 L CA 0.000 54.847 54.840 0.012 0.000 0.813 729 L CB 0.000 42.071 42.059 0.020 0.000 0.961 730 D N 1.807 122.216 120.400 0.015 0.000 2.348 730 D HA -0.036 4.604 4.640 0.000 0.000 0.216 730 D C 0.689 176.996 176.300 0.012 0.000 0.970 730 D CA 0.478 54.490 54.000 0.021 0.000 0.889 730 D CB 0.282 41.096 40.800 0.022 0.000 0.912 730 D HN 0.518 nan 8.370 nan 0.000 0.524 731 E N 0.372 120.566 120.200 -0.011 0.000 2.442 731 E HA -0.075 4.275 4.350 0.000 0.000 0.260 731 E C -0.033 176.510 176.600 -0.095 0.000 1.148 731 E CA 0.021 56.394 56.400 -0.046 0.000 0.976 731 E CB 0.390 30.053 29.700 -0.063 0.000 0.967 731 E HN 0.013 nan 8.360 nan 0.000 0.454 732 D N 2.013 122.310 120.400 -0.171 0.000 3.032 732 D HA 0.184 4.824 4.640 0.000 0.000 0.241 732 D C -0.767 175.205 176.300 -0.547 0.000 1.196 732 D CA 0.327 54.149 54.000 -0.296 0.000 0.927 732 D CB -0.600 40.014 40.800 -0.310 0.000 1.129 732 D HN 0.293 nan 8.370 nan 0.000 0.458 733 I N -0.230 120.077 120.570 -0.439 0.000 3.334 733 I HA 0.337 4.507 4.170 0.000 0.000 0.316 733 I C -1.236 174.751 176.117 -0.216 0.000 1.251 733 I CA -1.216 59.794 61.300 -0.483 0.000 0.929 733 I CB 1.734 39.334 38.000 -0.668 0.000 1.317 733 I HN -0.303 nan 8.210 nan 0.000 0.479 734 I N 2.782 123.261 120.570 -0.151 0.000 2.359 734 I HA 0.503 4.673 4.170 0.000 0.000 0.294 734 I C 0.548 176.648 176.117 -0.028 0.000 0.987 734 I CA 0.009 61.302 61.300 -0.012 0.000 1.225 734 I CB 1.475 39.507 38.000 0.054 0.000 1.366 734 I HN 0.521 nan 8.210 nan 0.000 0.466 735 A N 4.801 127.622 122.820 0.003 0.000 2.366 735 A HA 0.171 4.491 4.320 0.000 0.000 0.250 735 A C 1.395 178.992 177.584 0.021 0.000 1.099 735 A CA -0.125 51.915 52.037 0.005 0.000 0.794 735 A CB 0.207 19.217 19.000 0.016 0.000 1.056 735 A HN 0.812 nan 8.150 nan 0.000 0.499 736 E N -0.083 120.132 120.200 0.025 0.000 2.150 736 E HA -0.166 4.184 4.350 0.000 0.000 0.193 736 E C 1.137 177.761 176.600 0.040 0.000 0.985 736 E CA 1.582 58.004 56.400 0.036 0.000 0.814 736 E CB -0.021 29.703 29.700 0.040 0.000 0.752 736 E HN 0.718 nan 8.360 nan 0.000 0.466 737 E N 0.087 120.309 120.200 0.036 0.000 2.478 737 E HA -0.004 4.346 4.350 0.000 0.000 0.198 737 E C 0.766 177.388 176.600 0.037 0.000 1.046 737 E CA 0.456 56.878 56.400 0.036 0.000 0.870 737 E CB -0.097 29.623 29.700 0.033 0.000 0.818 737 E HN 0.309 nan 8.360 nan 0.000 0.527 738 N N -0.394 118.330 118.700 0.041 0.000 2.187 738 N HA 0.219 4.960 4.740 0.000 0.000 0.212 738 N C -0.591 174.952 175.510 0.054 0.000 1.152 738 N CA -0.085 52.993 53.050 0.046 0.000 0.872 738 N CB 0.823 39.340 38.487 0.051 0.000 1.025 738 N HN 0.024 nan 8.380 nan 0.000 0.514 739 I N 1.930 122.533 120.570 0.055 0.000 2.337 739 I HA 0.201 4.371 4.170 0.000 0.000 0.285 739 I C -0.419 175.732 176.117 0.057 0.000 1.041 739 I CA -0.667 60.672 61.300 0.065 0.000 1.199 739 I CB 1.357 39.401 38.000 0.074 0.000 1.370 739 I HN -0.223 nan 8.210 nan 0.000 0.470 740 V N 5.757 125.703 119.914 0.053 0.000 2.415 740 V HA 0.083 4.203 4.120 0.000 0.000 0.267 740 V C 0.753 176.874 176.094 0.046 0.000 1.042 740 V CA 0.010 62.335 62.300 0.041 0.000 1.000 740 V CB 0.728 32.569 31.823 0.030 0.000 1.015 740 V HN 0.718 nan 8.190 nan 0.000 0.478 741 S N 5.634 121.361 115.700 0.046 0.000 2.576 741 S HA 0.353 4.823 4.470 0.000 0.000 0.276 741 S C 0.371 174.993 174.600 0.036 0.000 1.339 741 S CA -0.570 57.667 58.200 0.061 0.000 1.039 741 S CB 0.454 63.695 63.200 0.068 0.000 0.902 741 S HN 0.653 nan 8.310 nan 0.000 0.516 742 R N 1.434 121.971 120.500 0.063 0.000 2.298 742 R HA 0.243 4.583 4.340 0.000 0.000 0.310 742 R C 0.877 177.098 176.300 -0.131 0.000 1.068 742 R CA -0.134 55.933 56.100 -0.056 0.000 0.957 742 R CB 0.663 30.973 30.300 0.016 0.000 1.003 742 R HN 0.820 nan 8.270 nan 0.000 0.454 743 S N 1.154 116.641 115.700 -0.354 0.000 2.670 743 S HA 0.026 4.496 4.470 0.000 0.000 0.241 743 S C 0.236 174.518 174.600 -0.530 0.000 1.077 743 S CA -0.498 57.549 58.200 -0.254 0.000 0.899 743 S CB 0.257 63.412 63.200 -0.075 0.000 0.835 743 S HN 0.550 nan 8.310 nan 0.000 0.481 744 E N 1.569 121.408 120.200 -0.603 0.000 1.985 744 E HA 0.164 4.514 4.350 0.000 0.000 0.268 744 E C -1.461 174.771 176.600 -0.613 0.000 1.219 744 E CA 0.016 56.143 56.400 -0.455 0.000 0.942 744 E CB -0.128 29.373 29.700 -0.333 0.000 1.045 744 E HN 0.474 nan 8.360 nan 0.000 0.413 745 F N 3.319 123.289 119.950 0.034 0.000 2.471 745 F HA 0.282 4.810 4.527 0.000 0.000 0.318 745 F C -2.013 173.864 175.800 0.128 0.000 1.308 745 F CA -2.322 55.729 58.000 0.086 0.000 1.162 745 F CB 0.380 39.417 39.000 0.061 0.000 1.383 745 F HN 0.225 nan 8.300 nan 0.000 0.552 746 P HA 0.224 nan 4.420 nan 0.000 0.274 746 P C 0.486 178.043 177.300 0.429 0.000 1.231 746 P CA -0.217 63.045 63.100 0.269 0.000 0.790 746 P CB 1.228 33.031 31.700 0.172 0.000 0.951 747 E N -0.280 120.123 120.200 0.338 0.000 2.276 747 E HA 0.056 4.406 4.350 0.000 0.000 0.193 747 E C -0.123 176.720 176.600 0.406 0.000 0.983 747 E CA 0.445 57.046 56.400 0.336 0.000 0.861 747 E CB 0.224 30.041 29.700 0.195 0.000 0.817 747 E HN 0.500 nan 8.360 nan 0.000 0.485 748 S N 0.532 116.451 115.700 0.364 0.000 2.689 748 S HA 0.413 4.883 4.470 0.000 0.000 0.274 748 S C -0.847 173.943 174.600 0.316 0.000 1.176 748 S CA -1.160 57.220 58.200 0.300 0.000 1.014 748 S CB 0.692 63.988 63.200 0.160 0.000 1.071 748 S HN 0.342 nan 8.310 nan 0.000 0.478 749 W N 2.040 123.368 121.300 0.048 0.000 3.505 749 W HA 0.755 5.415 4.660 0.000 0.000 0.338 749 W C -0.223 176.326 176.519 0.051 0.000 1.159 749 W CA -1.474 55.875 57.345 0.008 0.000 0.981 749 W CB -0.491 28.898 29.460 -0.118 0.000 1.575 749 W HN 1.041 nan 8.180 nan 0.000 0.608 750 L N 1.552 122.875 121.223 0.166 0.000 3.634 750 L HA -0.233 4.107 4.340 0.000 0.000 0.423 750 L C 0.005 176.882 176.870 0.010 0.000 1.253 750 L CA 0.075 54.870 54.840 -0.076 0.000 0.885 750 L CB -1.507 40.145 42.059 -0.678 0.000 1.789 750 L HN 0.644 nan 8.230 nan 0.000 0.904 751 W N 2.529 123.804 121.300 -0.041 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 -0.023 0.000 0.619 751 W CA -0.292 57.033 57.345 -0.034 0.000 2.212 751 W CB -0.348 29.110 29.460 -0.003 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 -0.146 0.000 2.518 752 N HA 0.522 5.262 4.740 0.000 0.000 0.284 752 N C -1.364 174.007 175.510 -0.230 0.000 1.230 752 N CA -0.918 52.051 53.050 -0.134 0.000 0.941 752 N CB 2.127 40.579 38.487 -0.057 0.000 1.219 752 N HN -0.261 nan 8.380 nan 0.000 0.560 753 V N 1.178 121.001 119.914 -0.152 0.000 2.569 753 V HA 0.337 4.457 4.120 0.000 0.000 0.301 753 V C -0.975 175.062 176.094 -0.095 0.000 1.044 753 V CA -0.628 61.583 62.300 -0.149 0.000 0.874 753 V CB 1.573 33.314 31.823 -0.137 0.000 1.002 753 V HN 0.589 nan 8.190 nan 0.000 0.424 754 E N 2.414 122.558 120.200 -0.093 0.000 2.248 754 E HA 0.544 4.894 4.350 0.000 0.000 0.267 754 E C -1.599 174.964 176.600 -0.061 0.000 0.877 754 E CA -0.770 55.590 56.400 -0.066 0.000 0.759 754 E CB 2.834 32.497 29.700 -0.061 0.000 1.182 754 E HN 0.597 nan 8.360 nan 0.000 0.418 755 D N 1.534 121.906 120.400 -0.048 0.000 2.163 755 D HA 0.332 4.972 4.640 0.000 0.000 0.248 755 D C -0.127 176.151 176.300 -0.037 0.000 1.035 755 D CA -0.438 53.536 54.000 -0.042 0.000 0.872 755 D CB 1.358 42.137 40.800 -0.036 0.000 1.183 755 D HN 0.178 nan 8.370 nan 0.000 0.445 756 L N 2.883 124.084 121.223 -0.037 0.000 2.397 756 L HA 0.236 4.576 4.340 0.000 0.000 0.263 756 L C 1.208 178.062 176.870 -0.028 0.000 1.136 756 L CA -0.116 54.704 54.840 -0.033 0.000 1.019 756 L CB 0.209 42.246 42.059 -0.036 0.000 1.352 756 L HN 0.120 nan 8.230 nan 0.000 0.420 757 K N 0.797 121.182 120.400 -0.024 0.000 2.373 757 K HA 0.171 4.491 4.320 0.000 0.000 0.202 757 K C 0.079 176.668 176.600 -0.018 0.000 1.025 757 K CA -0.131 56.144 56.287 -0.021 0.000 1.115 757 K CB 0.613 33.102 32.500 -0.019 0.000 0.858 757 K HN 0.440 nan 8.250 nan 0.000 0.525 758 E N 1.553 121.741 120.200 -0.020 0.000 2.408 758 E HA 0.065 4.415 4.350 0.000 0.000 0.259 758 E C -2.499 174.091 176.600 -0.017 0.000 1.110 758 E CA -1.858 54.531 56.400 -0.018 0.000 0.929 758 E CB -0.226 29.463 29.700 -0.019 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 -2.393 174.898 177.300 -0.015 0.000 1.173 759 P CA -0.542 62.550 63.100 -0.014 0.000 0.780 759 P CB -0.262 31.431 31.700 -0.012 0.000 0.758 760 P HA 0.239 nan 4.420 nan 0.000 0.275 760 P C -0.577 176.714 177.300 -0.014 0.000 1.227 760 P CA -0.038 63.053 63.100 -0.016 0.000 0.781 760 P CB 0.853 32.544 31.700 -0.015 0.000 0.906 761 K N 2.526 122.917 120.400 -0.015 0.000 2.613 761 K HA 0.277 4.597 4.320 0.000 0.000 0.248 761 K C -0.444 176.147 176.600 -0.014 0.000 0.959 761 K CA -0.613 55.665 56.287 -0.014 0.000 0.855 761 K CB 1.018 33.510 32.500 -0.014 0.000 1.143 761 K HN 0.457 nan 8.250 nan 0.000 0.437 762 N N 1.467 120.159 118.700 -0.013 0.000 2.776 762 N HA -0.224 4.516 4.740 0.000 0.000 0.249 762 N C 0.448 175.950 175.510 -0.014 0.000 1.111 762 N CA 0.297 53.339 53.050 -0.013 0.000 0.711 762 N CB -0.676 37.804 38.487 -0.013 0.000 1.065 762 N HN 1.089 nan 8.380 nan 0.000 0.556 763 G N -0.461 108.330 108.800 -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 0.541 45.632 45.100 -0.016 0.000 0.698 763 G HN 0.437 nan 8.290 nan 0.000 0.521 764 I N 1.646 122.204 120.570 -0.020 0.000 2.466 764 I HA 0.356 4.526 4.170 0.000 0.000 0.279 764 I C 0.611 176.713 176.117 -0.025 0.000 1.033 764 I CA -0.819 60.467 61.300 -0.023 0.000 1.123 764 I CB 0.860 38.846 38.000 -0.024 0.000 1.237 764 I HN 0.026 nan 8.210 nan 0.000 0.460 765 S N 4.157 119.841 115.700 -0.027 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 -0.032 0.000 1.303 765 S CA -0.172 58.012 58.200 -0.027 0.000 1.000 765 S CB 0.995 64.179 63.200 -0.027 0.000 0.935 765 S HN 0.615 nan 8.310 nan 0.000 0.551 766 T N 1.979 116.514 114.554 -0.031 0.000 3.170 766 T HA 0.324 4.675 4.350 0.000 0.000 0.315 766 T C -0.816 173.863 174.700 -0.034 0.000 0.967 766 T CA -0.691 61.387 62.100 -0.036 0.000 1.024 766 T CB 0.957 69.805 68.868 -0.034 0.000 1.018 766 T HN 0.516 nan 8.240 nan 0.000 0.449 767 K N 4.189 124.565 120.400 -0.039 0.000 2.206 767 K HA 0.610 4.930 4.320 0.000 0.000 0.264 767 K C -0.995 175.584 176.600 -0.034 0.000 0.967 767 K CA -0.833 55.434 56.287 -0.033 0.000 0.844 767 K CB 0.822 33.301 32.500 -0.035 0.000 1.099 767 K HN 0.498 nan 8.250 nan 0.000 0.441 768 L N 6.055 127.264 121.223 -0.023 0.000 2.264 768 L HA 0.391 4.731 4.340 0.000 0.000 0.287 768 L C -0.184 176.684 176.870 -0.004 0.000 1.039 768 L CA -0.542 54.287 54.840 -0.018 0.000 0.829 768 L CB 1.146 43.197 42.059 -0.014 0.000 1.211 768 L HN 0.614 nan 8.230 nan 0.000 0.427 769 M N 3.057 122.657 119.600 -0.001 0.000 2.318 769 M HA 0.238 4.718 4.480 0.000 0.000 0.347 769 M C 0.014 176.343 176.300 0.048 0.000 1.175 769 M CA -0.017 55.297 55.300 0.023 0.000 1.075 769 M CB 1.464 34.073 32.600 0.016 0.000 1.614 769 M HN 0.474 nan 8.290 nan 0.000 0.456 770 N N 4.409 123.159 118.700 0.084 0.000 2.817 770 N HA 0.362 5.102 4.740 0.000 0.000 0.234 770 N C -0.882 174.759 175.510 0.219 0.000 1.066 770 N CA -0.387 52.727 53.050 0.108 0.000 0.926 770 N CB 0.594 39.144 38.487 0.106 0.000 1.176 770 N HN 0.594 nan 8.380 nan 0.000 0.506 771 I N -0.711 119.977 120.570 0.197 0.000 2.764 771 I HA 0.385 4.555 4.170 0.000 0.000 0.294 771 I C -0.832 175.486 176.117 0.335 0.000 1.045 771 I CA -0.515 60.986 61.300 0.334 0.000 1.340 771 I CB 0.739 38.920 38.000 0.302 0.000 1.436 771 I HN 0.200 nan 8.210 nan 0.000 0.567 772 F N 4.452 124.438 119.950 0.060 0.000 2.307 772 F HA 0.452 4.979 4.527 0.000 0.000 0.369 772 F C 0.067 175.701 175.800 -0.276 0.000 1.076 772 F CA -0.826 57.128 58.000 -0.076 0.000 1.149 772 F CB 1.081 40.019 39.000 -0.102 0.000 1.410 772 F HN 0.303 nan 8.300 nan 0.000 0.481 773 L N 4.439 125.595 121.223 -0.112 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 -0.406 0.000 1.223 773 L CA -0.073 54.601 54.840 -0.276 0.000 0.864 773 L CB 0.156 42.203 42.059 -0.021 0.000 1.118 773 L HN 0.460 nan 8.230 nan 0.000 0.494 774 K N 1.821 121.828 120.400 -0.655 0.000 2.386 774 K HA 0.091 4.411 4.320 0.000 0.000 0.249 774 K C 0.506 177.021 176.600 -0.143 0.000 1.055 774 K CA -0.406 55.602 56.287 -0.466 0.000 0.930 774 K CB 0.317 32.447 32.500 -0.616 0.000 1.230 774 K HN 0.432 nan 8.250 nan 0.000 0.507 775 D N 0.037 120.327 120.400 -0.183 0.000 2.333 775 D HA -0.013 4.627 4.640 0.000 0.000 0.208 775 D C -0.144 176.206 176.300 0.083 0.000 0.984 775 D CA 0.508 54.409 54.000 -0.165 0.000 0.873 775 D CB -0.001 40.500 40.800 -0.498 0.000 0.935 775 D HN 0.192 nan 8.370 nan 0.000 0.521 776 S N 1.023 116.889 115.700 0.277 0.000 2.555 776 S HA 0.055 4.525 4.470 0.000 0.000 0.293 776 S C 0.797 175.469 174.600 0.119 0.000 1.248 776 S CA -0.065 58.378 58.200 0.405 0.000 1.096 776 S CB 0.164 63.606 63.200 0.404 0.000 0.881 776 S HN 0.145 nan 8.310 nan 0.000 0.498 777 I N 4.268 124.817 120.570 -0.036 0.000 2.260 777 I HA 0.205 4.375 4.170 0.000 0.000 0.297 777 I C 0.799 176.709 176.117 -0.345 0.000 1.143 777 I CA 0.051 61.195 61.300 -0.259 0.000 1.271 777 I CB -0.258 37.409 38.000 -0.554 0.000 1.461 777 I HN 0.556 nan 8.210 nan 0.000 0.530 778 T N 2.754 117.086 114.554 -0.369 0.000 2.649 778 T HA 0.312 4.662 4.350 0.000 0.000 0.305 778 T C -0.849 173.567 174.700 -0.473 0.000 1.409 778 T CA -0.329 61.508 62.100 -0.439 0.000 1.021 778 T CB 1.822 70.379 68.868 -0.519 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 -0.437 0.000 2.756 779 T HA 0.523 4.873 4.350 0.000 0.000 0.290 779 T C -0.915 173.597 174.700 -0.312 0.000 0.985 779 T CA -0.241 61.674 62.100 -0.308 0.000 0.955 779 T CB 0.073 68.828 68.868 -0.188 0.000 0.930 779 T HN 0.409 nan 8.240 nan 0.000 0.451 780 W N 1.791 123.091 121.300 0.000 0.000 2.303 780 W HA 0.453 5.113 4.660 0.000 0.000 0.334 780 W C 0.829 177.314 176.519 -0.057 0.000 1.197 780 W CA -0.748 56.612 57.345 0.024 0.000 1.262 780 W CB 0.624 30.151 29.460 0.113 0.000 1.153 780 W HN 0.508 nan 8.180 nan 0.000 0.596 781 E N 2.811 123.134 120.200 0.205 0.000 2.186 781 E HA 0.320 4.670 4.350 0.000 0.000 0.255 781 E C -1.095 175.545 176.600 0.066 0.000 0.881 781 E CA -0.459 55.989 56.400 0.080 0.000 0.752 781 E CB 0.598 30.328 29.700 0.049 0.000 1.176 781 E HN 0.379 nan 8.360 nan 0.000 0.421 782 I N 5.076 125.682 120.570 0.059 0.000 2.325 782 I HA 0.180 4.351 4.170 0.000 0.000 0.291 782 I C -0.365 175.777 176.117 0.042 0.000 1.019 782 I CA -0.681 60.634 61.300 0.024 0.000 1.302 782 I CB 0.780 38.817 38.000 0.062 0.000 1.401 782 I HN 0.381 nan 8.210 nan 0.000 0.485 783 L N 7.415 128.638 121.223 0.000 0.000 2.313 783 L HA 0.766 5.106 4.340 0.000 0.000 0.283 783 L C -0.270 176.578 176.870 -0.038 0.000 1.013 783 L CA -0.134 54.706 54.840 0.001 0.000 0.816 783 L CB 1.327 43.393 42.059 0.012 0.000 1.236 783 L HN 0.674 nan 8.230 nan 0.000 0.419 784 A N 4.711 127.510 122.820 -0.035 0.000 2.350 784 A HA 0.854 5.174 4.320 0.000 0.000 0.324 784 A C -1.426 176.122 177.584 -0.059 0.000 1.118 784 A CA -0.544 51.455 52.037 -0.064 0.000 0.783 784 A CB 1.645 20.609 19.000 -0.060 0.000 1.236 784 A HN 0.512 nan 8.150 nan 0.000 0.457 785 V N 2.363 122.229 119.914 -0.080 0.000 2.524 785 V HA 0.482 4.602 4.120 0.000 0.000 0.297 785 V C 0.029 176.080 176.094 -0.072 0.000 1.035 785 V CA -0.422 61.837 62.300 -0.068 0.000 0.867 785 V CB 1.781 33.562 31.823 -0.070 0.000 1.004 785 V HN 1.085 nan 8.190 nan 0.000 0.426 786 S N 4.657 120.323 115.700 -0.056 0.000 2.508 786 S HA 0.804 5.274 4.470 0.000 0.000 0.284 786 S C -0.533 174.041 174.600 -0.044 0.000 1.192 786 S CA -0.660 57.508 58.200 -0.053 0.000 1.070 786 S CB 1.659 64.832 63.200 -0.046 0.000 1.004 786 S HN 0.672 nan 8.310 nan 0.000 0.493 787 M N 3.776 123.349 119.600 -0.045 0.000 2.065 787 M HA 0.433 4.913 4.480 0.000 0.000 0.308 787 M C -0.428 175.853 176.300 -0.032 0.000 0.939 787 M CA -0.173 55.105 55.300 -0.037 0.000 0.890 787 M CB 0.837 33.414 32.600 -0.039 0.000 1.383 787 M HN 0.763 nan 8.290 nan 0.000 0.381 788 S N 1.215 116.899 115.700 -0.028 0.000 2.541 788 S HA 0.404 4.874 4.470 0.000 0.000 0.283 788 S C 0.558 175.145 174.600 -0.020 0.000 1.196 788 S CA -0.577 57.608 58.200 -0.024 0.000 1.062 788 S CB 0.716 63.902 63.200 -0.024 0.000 1.009 788 S HN 0.737 nan 8.310 nan 0.000 0.502 789 D N 3.118 123.507 120.400 -0.019 0.000 2.336 789 D HA 0.094 4.734 4.640 0.000 0.000 0.229 789 D C 0.845 177.137 176.300 -0.014 0.000 1.061 789 D CA 0.540 54.530 54.000 -0.016 0.000 0.875 789 D CB 0.116 40.907 40.800 -0.015 0.000 0.904 789 D HN 0.517 nan 8.370 nan 0.000 0.525 790 K N -0.450 119.941 120.400 -0.015 0.000 2.380 790 K HA 0.172 4.492 4.320 0.000 0.000 0.200 790 K C 1.100 177.692 176.600 -0.014 0.000 1.201 790 K CA -0.044 56.235 56.287 -0.014 0.000 0.916 790 K CB 0.703 33.194 32.500 -0.014 0.000 1.187 790 K HN -0.145 nan 8.250 nan 0.000 0.498 791 K N 1.067 121.457 120.400 -0.015 0.000 2.399 791 K HA 0.216 4.537 4.320 0.000 0.000 0.204 791 K C 0.589 177.180 176.600 -0.015 0.000 1.023 791 K CA 0.372 56.650 56.287 -0.015 0.000 1.127 791 K CB 0.941 33.431 32.500 -0.017 0.000 0.856 791 K HN 0.360 nan 8.250 nan 0.000 0.514 792 G N 2.217 111.008 108.800 -0.015 0.000 2.601 792 G HA2 -0.325 3.635 3.960 0.000 0.000 0.261 792 G HA3 -0.325 3.635 3.960 0.000 0.000 0.261 792 G C -0.033 174.857 174.900 -0.018 0.000 1.289 792 G CA -0.140 44.951 45.100 -0.015 0.000 0.920 792 G HN 0.321 nan 8.290 nan 0.000 0.571 793 I N -0.492 120.068 120.570 -0.017 0.000 2.662 793 I HA 0.535 4.705 4.170 0.000 0.000 0.291 793 I C 0.319 176.425 176.117 -0.018 0.000 1.046 793 I CA -0.143 61.145 61.300 -0.019 0.000 1.361 793 I CB 0.940 38.930 38.000 -0.017 0.000 1.429 793 I HN 0.957 nan 8.210 nan 0.000 0.558 794 C N 6.943 126.230 119.300 -0.022 0.000 2.832 794 C HA 0.429 4.889 4.460 0.000 0.000 0.383 794 C C -0.948 174.029 174.990 -0.022 0.000 1.046 794 C CA -0.518 58.489 59.018 -0.020 0.000 1.242 794 C CB 0.443 28.171 27.740 -0.021 0.000 1.693 794 C HN 0.526 nan 8.230 nan 0.000 0.497 795 V N 6.478 126.383 119.914 -0.016 0.000 2.348 795 V HA 0.595 4.715 4.120 0.000 0.000 0.270 795 V C 1.099 177.187 176.094 -0.010 0.000 1.037 795 V CA 0.263 62.554 62.300 -0.014 0.000 0.872 795 V CB 0.920 32.739 31.823 -0.006 0.000 1.002 795 V HN 1.124 nan 8.190 nan 0.000 0.464 796 A N 4.290 127.101 122.820 -0.014 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 0.009 0.000 1.084 796 A CA -0.494 51.538 52.037 -0.008 0.000 0.794 796 A CB 0.109 19.098 19.000 -0.019 0.000 1.034 796 A HN 0.777 nan 8.150 nan 0.000 0.491 797 D N 1.739 122.150 120.400 0.019 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 0.068 0.000 1.144 797 D CA -0.592 53.430 54.000 0.037 0.000 0.880 797 D CB 0.098 40.922 40.800 0.040 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 -0.653 176.736 177.300 0.148 0.000 1.182 798 P CA -0.005 63.146 63.100 0.085 0.000 0.761 798 P CB 0.135 31.865 31.700 0.049 0.000 0.795 799 F N 3.188 123.139 119.950 0.001 0.000 2.402 799 F HA 0.298 4.825 4.527 0.000 0.000 0.355 799 F C 0.148 175.965 175.800 0.029 0.000 1.123 799 F CA -0.813 57.193 58.000 0.009 0.000 1.021 799 F CB 1.085 40.085 39.000 -0.001 0.000 1.160 799 F HN 0.249 nan 8.300 nan 0.000 0.451 800 E N 4.749 124.608 120.200 -0.569 0.000 2.216 800 E HA 0.500 4.850 4.350 0.000 0.000 0.279 800 E C -1.216 174.991 176.600 -0.655 0.000 0.997 800 E CA -0.865 55.272 56.400 -0.438 0.000 0.817 800 E CB 2.324 31.886 29.700 -0.231 0.000 1.096 800 E HN 0.380 nan 8.360 nan 0.000 0.393 801 V N 3.133 122.873 119.914 -0.290 0.000 2.407 801 V HA 0.177 4.298 4.120 0.000 0.000 0.291 801 V C -0.223 175.873 176.094 0.002 0.000 1.018 801 V CA -0.736 61.482 62.300 -0.137 0.000 0.842 801 V CB 1.785 33.650 31.823 0.070 0.000 0.996 801 V HN 0.689 nan 8.190 nan 0.000 0.426 802 T N 4.875 119.400 114.554 -0.049 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 -0.016 0.000 0.928 802 T CA -0.160 61.904 62.100 -0.061 0.000 1.045 802 T CB 1.038 69.852 68.868 -0.089 0.000 0.902 802 T HN 0.351 nan 8.240 nan 0.000 0.500 803 V N 5.894 125.792 119.914 -0.027 0.000 2.313 803 V HA 0.504 4.624 4.120 0.000 0.000 0.278 803 V C -0.072 175.954 176.094 -0.115 0.000 1.017 803 V CA -0.591 61.709 62.300 -0.001 0.000 0.823 803 V CB 0.982 32.886 31.823 0.135 0.000 1.010 803 V HN 0.846 nan 8.190 nan 0.000 0.443 804 M N 3.622 123.154 119.600 -0.113 0.000 2.691 804 M HA 0.629 5.109 4.480 0.000 0.000 0.293 804 M C -1.417 174.828 176.300 -0.092 0.000 1.259 804 M CA -0.591 54.599 55.300 -0.184 0.000 0.827 804 M CB 2.973 35.468 32.600 -0.174 0.000 1.753 804 M HN 0.671 nan 8.290 nan 0.000 0.465 805 Q N 0.473 120.245 119.800 -0.047 0.000 2.345 805 Q HA 0.229 4.569 4.340 0.000 0.000 0.275 805 Q C -0.734 175.473 176.000 0.345 0.000 1.063 805 Q CA -0.640 55.245 55.803 0.136 0.000 0.819 805 Q CB 2.014 30.836 28.738 0.140 0.000 1.356 805 Q HN 0.755 nan 8.270 nan 0.000 0.418 806 D N 1.392 121.965 120.400 0.288 0.000 2.190 806 D HA -0.079 4.561 4.640 0.000 0.000 0.200 806 D C -0.203 176.374 176.300 0.462 0.000 0.992 806 D CA 1.540 55.738 54.000 0.329 0.000 0.854 806 D CB 0.106 41.032 40.800 0.209 0.000 0.936 806 D HN 0.307 nan 8.370 nan 0.000 0.462 807 F N 0.013 120.140 119.950 0.296 0.000 2.581 807 F HA 0.457 4.984 4.527 0.000 0.000 0.311 807 F C -1.539 174.467 175.800 0.343 0.000 1.113 807 F CA -1.176 56.949 58.000 0.208 0.000 0.935 807 F CB 1.044 40.102 39.000 0.098 0.000 1.232 807 F HN -0.147 nan 8.300 nan 0.000 0.445 808 F N 3.957 123.463 119.950 -0.740 0.000 2.877 808 F HA 0.754 5.281 4.527 0.000 0.000 0.319 808 F C -2.203 173.326 175.800 -0.451 0.000 1.174 808 F CA -1.599 56.084 58.000 -0.529 0.000 0.903 808 F CB 1.079 40.002 39.000 -0.128 0.000 1.357 808 F HN 0.304 nan 8.300 nan 0.000 0.472 809 I N 1.126 121.728 120.570 0.053 0.000 2.509 809 I HA 0.318 4.488 4.170 0.000 0.000 0.293 809 I C -1.373 174.895 176.117 0.253 0.000 1.020 809 I CA -0.506 60.825 61.300 0.051 0.000 1.088 809 I CB 1.881 39.890 38.000 0.014 0.000 1.267 809 I HN 0.589 nan 8.210 nan 0.000 0.430 810 D N 6.382 126.927 120.400 0.242 0.000 2.514 810 D HA 0.198 4.838 4.640 0.000 0.000 0.267 810 D C -0.750 175.602 176.300 0.087 0.000 1.165 810 D CA -0.574 53.564 54.000 0.229 0.000 0.958 810 D CB 0.528 41.596 40.800 0.446 0.000 0.992 810 D HN 0.193 nan 8.370 nan 0.000 0.506 811 L N 3.295 124.526 121.223 0.014 0.000 2.530 811 L HA 0.213 4.553 4.340 0.000 0.000 0.273 811 L C -0.043 176.799 176.870 -0.046 0.000 1.141 811 L CA 0.481 55.310 54.840 -0.017 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 5.821 126.313 120.500 -0.012 0.000 2.246 812 R HA 0.496 4.836 4.340 0.000 0.000 0.332 812 R C -1.244 175.047 176.300 -0.015 0.000 0.974 812 R CA -0.953 55.137 56.100 -0.016 0.000 0.837 812 R CB 0.965 31.271 30.300 0.010 0.000 1.145 812 R HN 0.389 nan 8.270 nan 0.000 0.467 813 L N 4.201 125.409 121.223 -0.026 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 0.008 0.000 1.014 813 L CA -2.130 52.700 54.840 -0.017 0.000 0.815 813 L CB 0.940 42.979 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 0.324 177.671 177.300 0.078 0.000 1.223 814 P CA -0.177 62.955 63.100 0.052 0.000 0.785 814 P CB 0.379 32.108 31.700 0.048 0.000 0.923 815 Y N 1.243 121.545 120.300 0.003 0.000 2.128 815 Y HA -0.160 4.390 4.550 0.000 0.000 0.284 815 Y C 0.647 176.559 175.900 0.020 0.000 1.154 815 Y CA 1.960 60.066 58.100 0.010 0.000 1.149 815 Y CB 0.015 38.480 38.460 0.008 0.000 0.976 815 Y HN 0.397 nan 8.280 nan 0.000 0.505 816 S N 0.003 115.709 115.700 0.011 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 0.024 0.000 1.134 816 S CA -0.379 57.778 58.200 -0.072 0.000 0.897 816 S CB 1.670 64.853 63.200 -0.028 0.000 1.094 816 S HN 0.612 nan 8.310 nan 0.000 0.473 817 V N -0.032 119.889 119.914 0.012 0.000 2.540 817 V HA 0.798 4.918 4.120 0.000 0.000 0.302 817 V C -0.157 175.954 176.094 0.029 0.000 1.035 817 V CA -0.958 61.367 62.300 0.042 0.000 0.873 817 V CB 1.157 33.024 31.823 0.074 0.000 0.992 817 V HN 0.813 nan 8.190 nan 0.000 0.428 818 V N 4.252 124.186 119.914 0.033 0.000 2.637 818 V HA 0.265 4.385 4.120 0.000 0.000 0.296 818 V C 0.974 177.076 176.094 0.013 0.000 1.046 818 V CA -0.165 62.146 62.300 0.018 0.000 1.066 818 V CB 0.743 32.581 31.823 0.025 0.000 0.968 818 V HN 1.077 nan 8.190 nan 0.000 0.483 819 R N 4.163 124.657 120.500 -0.010 0.000 2.623 819 R HA 0.061 4.402 4.340 0.000 0.000 0.271 819 R C 1.012 177.308 176.300 -0.007 0.000 1.043 819 R CA 1.141 57.228 56.100 -0.021 0.000 1.083 819 R CB -0.306 29.968 30.300 -0.043 0.000 0.974 819 R HN 0.943 nan 8.270 nan 0.000 0.436 820 N N 0.318 119.015 118.700 -0.006 0.000 2.951 820 N HA -0.230 4.510 4.740 0.000 0.000 0.213 820 N C -1.061 174.453 175.510 0.006 0.000 0.877 820 N CA 1.365 54.414 53.050 -0.002 0.000 1.042 820 N CB -0.585 37.900 38.487 -0.004 0.000 1.005 820 N HN 0.687 nan 8.380 nan 0.000 0.604 821 E N 1.852 122.065 120.200 0.021 0.000 2.290 821 E HA 0.075 4.425 4.350 0.000 0.000 0.277 821 E C -0.011 176.614 176.600 0.042 0.000 1.035 821 E CA -0.018 56.405 56.400 0.038 0.000 0.873 821 E CB 0.932 30.665 29.700 0.054 0.000 1.029 821 E HN 0.159 nan 8.360 nan 0.000 0.419 822 Q N 3.384 123.193 119.800 0.015 0.000 2.295 822 Q HA 0.253 4.593 4.340 0.000 0.000 0.259 822 Q C -0.754 175.302 176.000 0.094 0.000 0.976 822 Q CA -0.476 55.298 55.803 -0.049 0.000 0.923 822 Q CB 0.655 29.226 28.738 -0.280 0.000 1.185 822 Q HN 0.401 nan 8.270 nan 0.000 0.410 823 V N 0.620 120.606 119.914 0.120 0.000 3.102 823 V HA 0.609 4.729 4.120 0.000 0.000 0.312 823 V C -0.954 175.261 176.094 0.202 0.000 1.135 823 V CA -1.106 61.332 62.300 0.229 0.000 1.022 823 V CB 1.891 33.799 31.823 0.141 0.000 1.056 823 V HN 0.870 nan 8.190 nan 0.000 0.436 824 E N 2.147 122.483 120.200 0.226 0.000 2.151 824 E HA 0.612 4.962 4.350 0.000 0.000 0.275 824 E C -0.905 175.753 176.600 0.098 0.000 0.936 824 E CA -0.853 55.650 56.400 0.172 0.000 0.777 824 E CB 1.705 31.521 29.700 0.193 0.000 1.108 824 E HN 0.860 nan 8.360 nan 0.000 0.401 825 I N 1.314 121.938 120.570 0.091 0.000 2.460 825 I HA 0.582 4.753 4.170 0.000 0.000 0.298 825 I C -0.310 175.865 176.117 0.097 0.000 0.989 825 I CA -1.133 60.207 61.300 0.067 0.000 1.173 825 I CB 1.464 39.478 38.000 0.023 0.000 1.338 825 I HN 0.226 nan 8.210 nan 0.000 0.456 826 R N 4.301 124.839 120.500 0.064 0.000 2.457 826 R HA 0.721 5.061 4.340 0.000 0.000 0.284 826 R C -0.643 175.706 176.300 0.083 0.000 1.024 826 R CA -0.798 55.338 56.100 0.061 0.000 1.025 826 R CB 1.654 31.970 30.300 0.026 0.000 1.063 826 R HN 0.896 nan 8.270 nan 0.000 0.493 827 A N 2.656 125.533 122.820 0.095 0.000 2.815 827 A HA 0.342 4.662 4.320 0.000 0.000 0.318 827 A C -0.647 176.947 177.584 0.018 0.000 1.186 827 A CA -0.659 51.438 52.037 0.100 0.000 0.754 827 A CB 0.672 19.816 19.000 0.240 0.000 1.151 827 A HN 0.347 nan 8.150 nan 0.000 0.452 828 V N 2.776 122.666 119.914 -0.039 0.000 2.455 828 V HA 0.222 4.342 4.120 0.000 0.000 0.273 828 V C -0.278 175.644 176.094 -0.287 0.000 1.045 828 V CA -0.081 62.092 62.300 -0.212 0.000 0.976 828 V CB 0.772 32.408 31.823 -0.311 0.000 0.993 828 V HN 0.632 nan 8.190 nan 0.000 0.475 829 L N 6.713 127.738 121.223 -0.330 0.000 2.262 829 L HA 0.459 4.799 4.340 0.000 0.000 0.288 829 L C -0.397 176.209 176.870 -0.441 0.000 1.035 829 L CA -0.061 54.602 54.840 -0.296 0.000 0.820 829 L CB 0.482 42.509 42.059 -0.052 0.000 1.204 829 L HN 0.469 nan 8.230 nan 0.000 0.424 830 Y N 2.133 122.110 120.300 -0.538 0.000 2.310 830 Y HA 0.422 4.972 4.550 0.000 0.000 0.326 830 Y C 0.694 176.361 175.900 -0.388 0.000 1.151 830 Y CA -0.251 57.499 58.100 -0.583 0.000 1.195 830 Y CB 1.100 39.061 38.460 -0.832 0.000 1.210 830 Y HN 0.526 nan 8.280 nan 0.000 0.483 831 N N 2.235 120.802 118.700 -0.222 0.000 2.576 831 N HA 0.186 4.926 4.740 0.000 0.000 0.269 831 N C -1.602 173.799 175.510 -0.182 0.000 1.058 831 N CA -0.652 52.375 53.050 -0.038 0.000 0.860 831 N CB 0.200 38.702 38.487 0.025 0.000 1.249 831 N HN 0.538 nan 8.380 nan 0.000 0.525 832 Y N 1.453 121.841 120.300 0.147 0.000 2.708 832 Y HA 0.378 4.928 4.550 0.000 0.000 0.287 832 Y C 0.781 176.744 175.900 0.105 0.000 1.145 832 Y CA -0.647 57.530 58.100 0.128 0.000 1.249 832 Y CB 0.301 38.848 38.460 0.145 0.000 1.152 832 Y HN 0.177 nan 8.280 nan 0.000 0.532 833 R N 1.308 121.914 120.500 0.176 0.000 2.594 833 R HA 0.030 4.370 4.340 0.000 0.000 0.272 833 R C 0.972 177.339 176.300 0.111 0.000 1.074 833 R CA 0.058 56.234 56.100 0.127 0.000 1.105 833 R CB 0.993 31.345 30.300 0.087 0.000 1.008 833 R HN 0.487 nan 8.270 nan 0.000 0.472 834 Q N 2.100 121.959 119.800 0.099 0.000 1.927 834 Q HA -0.218 4.122 4.340 0.000 0.000 0.210 834 Q C 0.426 176.467 176.000 0.068 0.000 1.001 834 Q CA 2.015 57.867 55.803 0.083 0.000 0.862 834 Q CB -0.252 28.529 28.738 0.072 0.000 0.934 834 Q HN 0.671 nan 8.270 nan 0.000 0.420 835 N N -0.903 117.834 118.700 0.062 0.000 2.672 835 N HA 0.223 4.963 4.740 0.000 0.000 0.295 835 N C -1.445 174.094 175.510 0.048 0.000 1.924 835 N CA -0.417 52.661 53.050 0.047 0.000 0.851 835 N CB 0.855 39.364 38.487 0.037 0.000 1.281 835 N HN 0.208 nan 8.380 nan 0.000 0.494 836 Q N 1.076 120.912 119.800 0.061 0.000 2.533 836 Q HA 0.171 4.511 4.340 0.000 0.000 0.251 836 Q C -1.146 174.890 176.000 0.060 0.000 0.966 836 Q CA -0.442 55.406 55.803 0.074 0.000 0.714 836 Q CB 0.902 29.729 28.738 0.148 0.000 1.284 836 Q HN 0.446 nan 8.270 nan 0.000 0.478 837 E N 3.820 124.037 120.200 0.028 0.000 2.376 837 E HA 0.172 4.522 4.350 0.000 0.000 0.266 837 E C -0.819 175.793 176.600 0.020 0.000 1.009 837 E CA -0.171 56.236 56.400 0.012 0.000 0.902 837 E CB 0.806 30.501 29.700 -0.007 0.000 0.972 837 E HN 0.502 nan 8.360 nan 0.000 0.439 838 L N 3.041 124.269 121.223 0.008 0.000 2.289 838 L HA 0.267 4.607 4.340 0.000 0.000 0.285 838 L C 0.157 177.026 176.870 -0.001 0.000 1.049 838 L CA -1.112 53.727 54.840 -0.002 0.000 0.804 838 L CB 1.090 43.089 42.059 -0.100 0.000 1.195 838 L HN 0.572 nan 8.230 nan 0.000 0.428 839 K N 3.395 123.817 120.400 0.038 0.000 2.262 839 K HA 0.336 4.656 4.320 0.000 0.000 0.288 839 K C -1.002 175.679 176.600 0.135 0.000 1.090 839 K CA -0.218 56.102 56.287 0.054 0.000 0.918 839 K CB 0.294 32.821 32.500 0.044 0.000 1.139 839 K HN 0.334 nan 8.250 nan 0.000 0.462 840 V N 4.740 124.708 119.914 0.091 0.000 2.612 840 V HA 0.470 4.590 4.120 0.000 0.000 0.301 840 V C -0.016 176.197 176.094 0.198 0.000 1.046 840 V CA -0.885 61.484 62.300 0.116 0.000 0.946 840 V CB 1.476 33.360 31.823 0.101 0.000 1.003 840 V HN 0.732 nan 8.190 nan 0.000 0.459 841 R N 3.049 123.675 120.500 0.210 0.000 2.358 841 R HA 0.663 5.003 4.340 0.000 0.000 0.309 841 R C -1.667 174.720 176.300 0.145 0.000 1.026 841 R CA -0.293 55.930 56.100 0.205 0.000 0.909 841 R CB 1.651 32.082 30.300 0.218 0.000 1.153 841 R HN 0.589 nan 8.270 nan 0.000 0.515 842 V N 3.614 123.612 119.914 0.141 0.000 2.472 842 V HA 0.464 4.584 4.120 0.000 0.000 0.290 842 V C -0.848 175.334 176.094 0.147 0.000 1.037 842 V CA -0.320 62.074 62.300 0.156 0.000 0.908 842 V CB 1.675 33.612 31.823 0.191 0.000 0.985 842 V HN 0.929 nan 8.190 nan 0.000 0.454 843 E N 4.781 125.054 120.200 0.121 0.000 2.293 843 E HA 0.446 4.796 4.350 0.000 0.000 0.270 843 E C -1.976 174.635 176.600 0.019 0.000 0.879 843 E CA -0.982 55.474 56.400 0.094 0.000 0.756 843 E CB 2.090 31.834 29.700 0.074 0.000 1.208 843 E HN 0.662 nan 8.360 nan 0.000 0.428 844 L N 5.516 126.736 121.223 -0.004 0.000 2.264 844 L HA 0.334 4.674 4.340 0.000 0.000 0.287 844 L C -1.348 175.509 176.870 -0.022 0.000 1.039 844 L CA -0.477 54.262 54.840 -0.168 0.000 0.829 844 L CB 0.498 42.309 42.059 -0.413 0.000 1.211 844 L HN 0.567 nan 8.230 nan 0.000 0.427 845 L N 4.488 125.699 121.223 -0.020 0.000 2.506 845 L HA 0.095 4.435 4.340 0.000 0.000 0.281 845 L C 0.347 177.258 176.870 0.069 0.000 1.228 845 L CA 0.531 55.398 54.840 0.044 0.000 0.850 845 L CB -0.147 41.932 42.059 0.035 0.000 1.110 845 L HN 0.666 nan 8.230 nan 0.000 0.496 846 H N 3.088 122.182 119.070 0.039 0.000 2.629 846 H HA 0.387 4.943 4.556 0.000 0.000 0.357 846 H C -0.410 174.965 175.328 0.078 0.000 1.121 846 H CA -0.006 56.076 56.048 0.057 0.000 1.406 846 H CB 0.588 30.388 29.762 0.063 0.000 1.456 846 H HN 0.573 nan 8.280 nan 0.000 0.579 847 N N 4.729 122.990 118.700 -0.731 0.000 2.542 847 N HA 0.140 4.881 4.740 0.000 0.000 0.288 847 N C -2.336 172.891 175.510 -0.473 0.000 1.115 847 N CA -1.940 50.854 53.050 -0.427 0.000 0.924 847 N CB 1.939 40.433 38.487 0.012 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 0.805 178.061 177.300 -0.074 0.000 1.144 848 P CA 0.901 63.958 63.100 -0.071 0.000 0.800 848 P CB 0.324 32.051 31.700 0.046 0.000 0.772 849 A N -1.700 121.029 122.820 -0.152 0.000 2.067 849 A HA 0.073 4.393 4.320 0.000 0.000 0.217 849 A C 0.897 178.155 177.584 -0.544 0.000 1.156 849 A CA 0.678 52.509 52.037 -0.344 0.000 0.683 849 A CB -0.671 18.053 19.000 -0.460 0.000 0.808 849 A HN 0.120 nan 8.150 nan 0.000 0.455 850 F N -2.887 117.013 119.950 -0.082 0.000 2.575 850 F HA 0.520 5.047 4.527 0.000 0.000 0.330 850 F C 0.072 175.840 175.800 -0.053 0.000 1.056 850 F CA -1.040 56.921 58.000 -0.066 0.000 0.964 850 F CB 1.589 40.542 39.000 -0.078 0.000 1.258 850 F HN -0.124 nan 8.300 nan 0.000 0.484 851 c N 2.899 121.600 118.600 0.169 0.000 2.362 851 c HA 0.754 5.324 4.570 0.000 0.000 0.309 851 c C -0.252 173.866 174.090 0.046 0.000 1.110 851 c CA -0.290 56.090 56.329 0.084 0.000 1.485 851 c CB -1.559 40.971 42.510 0.033 0.000 1.949 851 c HN 0.832 nan 8.230 nan 0.000 0.419 852 S N 4.615 120.342 115.700 0.045 0.000 2.841 852 S HA 0.568 5.038 4.470 0.000 0.000 0.318 852 S C 0.723 175.300 174.600 -0.039 0.000 1.127 852 S CA -0.805 57.377 58.200 -0.029 0.000 0.883 852 S CB 0.754 63.923 63.200 -0.052 0.000 1.271 852 S HN 0.573 nan 8.310 nan 0.000 0.567 853 L N 0.473 121.607 121.223 -0.147 0.000 2.362 853 L HA 0.163 4.503 4.340 0.000 0.000 0.219 853 L C 1.359 178.252 176.870 0.038 0.000 1.134 853 L CA 0.859 55.642 54.840 -0.096 0.000 0.807 853 L CB -0.770 41.162 42.059 -0.211 0.000 0.927 853 L HN 0.776 nan 8.230 nan 0.000 0.447 854 A N 0.466 123.331 122.820 0.075 0.000 2.302 854 A HA 0.467 4.787 4.320 0.000 0.000 0.295 854 A C 0.487 178.194 177.584 0.205 0.000 1.235 854 A CA -0.220 51.919 52.037 0.171 0.000 0.876 854 A CB 0.015 19.136 19.000 0.203 0.000 1.133 854 A HN 0.297 nan 8.150 nan 0.000 0.533 855 T N -1.282 113.304 114.554 0.053 0.000 2.804 855 T HA 0.498 4.848 4.350 0.000 0.000 0.272 855 T C 1.426 175.818 174.700 -0.513 0.000 0.986 855 T CA 0.295 62.266 62.100 -0.214 0.000 0.999 855 T CB 0.474 69.271 68.868 -0.118 0.000 1.307 855 T HN 0.867 nan 8.240 nan 0.000 0.586 856 T N -1.411 112.731 114.554 -0.685 0.000 2.833 856 T HA 0.018 4.368 4.350 0.000 0.000 0.269 856 T C 1.309 175.925 174.700 -0.141 0.000 1.054 856 T CA 0.822 62.676 62.100 -0.410 0.000 1.135 856 T CB -0.394 68.334 68.868 -0.232 0.000 0.869 856 T HN 0.664 nan 8.240 nan 0.000 0.466 857 K N -0.202 120.139 120.400 -0.099 0.000 2.402 857 K HA 0.300 4.621 4.320 0.000 0.000 0.204 857 K C 0.625 177.222 176.600 -0.005 0.000 1.056 857 K CA -0.324 55.946 56.287 -0.028 0.000 1.069 857 K CB 0.914 33.408 32.500 -0.009 0.000 0.888 857 K HN 0.195 nan 8.250 nan 0.000 0.546 858 R N 1.508 122.002 120.500 -0.010 0.000 2.534 858 R HA 0.309 4.650 4.340 0.000 0.000 0.301 858 R C -1.097 175.241 176.300 0.065 0.000 0.961 858 R CA -0.562 55.557 56.100 0.032 0.000 0.871 858 R CB 1.158 31.482 30.300 0.039 0.000 1.170 858 R HN -0.052 nan 8.270 nan 0.000 0.446 859 R N 2.614 123.164 120.500 0.083 0.000 2.294 859 R HA 0.151 4.491 4.340 0.000 0.000 0.319 859 R C -0.374 176.021 176.300 0.158 0.000 0.984 859 R CA -0.605 55.562 56.100 0.112 0.000 0.861 859 R CB 1.214 31.564 30.300 0.083 0.000 1.104 859 R HN 0.521 nan 8.270 nan 0.000 0.451 860 H N 5.088 124.217 119.070 0.098 0.000 2.821 860 H HA 0.077 4.633 4.556 0.000 0.000 0.262 860 H C -0.960 174.465 175.328 0.161 0.000 1.402 860 H CA -0.290 55.835 56.048 0.129 0.000 1.293 860 H CB 0.557 30.411 29.762 0.153 0.000 1.533 860 H HN 0.609 nan 8.280 nan 0.000 0.528 861 Q N 3.698 123.433 119.800 -0.108 0.000 2.337 861 Q HA 0.379 4.719 4.340 0.000 0.000 0.270 861 Q C -1.190 174.762 176.000 -0.080 0.000 1.043 861 Q CA -1.199 54.570 55.803 -0.056 0.000 0.794 861 Q CB 2.419 31.181 28.738 0.039 0.000 1.281 861 Q HN 0.410 nan 8.270 nan 0.000 0.446 862 Q N 0.702 120.465 119.800 -0.062 0.000 2.194 862 Q HA 0.569 4.909 4.340 0.000 0.000 0.245 862 Q C -0.737 175.287 176.000 0.040 0.000 0.993 862 Q CA -0.420 55.360 55.803 -0.037 0.000 0.930 862 Q CB 1.958 30.632 28.738 -0.108 0.000 1.238 862 Q HN 0.707 nan 8.270 nan 0.000 0.486 863 T N 0.604 115.177 114.554 0.032 0.000 3.305 863 T HA 0.420 4.770 4.350 0.000 0.000 0.348 863 T C -0.578 174.102 174.700 -0.034 0.000 1.394 863 T CA -0.514 61.625 62.100 0.064 0.000 1.549 863 T CB -0.165 68.779 68.868 0.126 0.000 0.962 863 T HN 0.450 nan 8.240 nan 0.000 0.609 864 V N -0.052 119.832 119.914 -0.050 0.000 3.234 864 V HA 0.886 5.006 4.120 0.000 0.000 0.317 864 V C -0.002 176.069 176.094 -0.038 0.000 1.081 864 V CA -0.600 61.645 62.300 -0.090 0.000 1.037 864 V CB 1.581 33.348 31.823 -0.093 0.000 1.148 864 V HN 0.477 nan 8.190 nan 0.000 0.453 865 T N 2.214 116.739 114.554 -0.048 0.000 2.861 865 T HA 0.706 5.056 4.350 0.000 0.000 0.287 865 T C -0.512 174.166 174.700 -0.036 0.000 1.003 865 T CA -0.146 61.936 62.100 -0.030 0.000 0.977 865 T CB 1.191 70.041 68.868 -0.030 0.000 0.996 865 T HN 0.641 nan 8.240 nan 0.000 0.448 866 I N 4.179 124.735 120.570 -0.024 0.000 2.389 866 I HA 0.356 4.526 4.170 0.000 0.000 0.288 866 I C -2.439 173.658 176.117 -0.032 0.000 0.999 866 I CA -2.745 58.535 61.300 -0.033 0.000 1.129 866 I CB 2.033 40.024 38.000 -0.016 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 -2.515 174.769 177.300 -0.027 0.000 1.215 867 P CA -1.046 62.032 63.100 -0.036 0.000 0.780 867 P CB -0.207 31.463 31.700 -0.050 0.000 0.898 868 P HA 0.040 nan 4.420 nan 0.000 0.268 868 P C -0.406 176.895 177.300 0.003 0.000 1.205 868 P CA 0.227 63.331 63.100 0.007 0.000 0.771 868 P CB 0.079 31.794 31.700 0.025 0.000 0.858 869 K N -0.497 119.902 120.400 -0.002 0.000 3.096 869 K HA -0.116 4.204 4.320 0.000 0.000 0.266 869 K C 0.030 176.601 176.600 -0.048 0.000 1.043 869 K CA 0.788 57.079 56.287 0.007 0.000 0.758 869 K CB -2.104 30.449 32.500 0.088 0.000 1.260 869 K HN 0.761 nan 8.250 nan 0.000 0.481 870 S N -2.015 113.596 115.700 -0.147 0.000 2.752 870 S HA 0.741 5.211 4.470 0.000 0.000 0.284 870 S C -0.485 173.995 174.600 -0.200 0.000 1.189 870 S CA -0.324 57.816 58.200 -0.100 0.000 0.835 870 S CB 2.258 65.457 63.200 -0.001 0.000 1.192 870 S HN 0.366 nan 8.310 nan 0.000 0.506 871 S N -0.071 115.533 115.700 -0.160 0.000 2.709 871 S HA 0.897 5.367 4.470 0.000 0.000 0.302 871 S C -1.395 173.067 174.600 -0.230 0.000 1.127 871 S CA -0.791 57.214 58.200 -0.326 0.000 0.905 871 S CB 1.366 64.221 63.200 -0.575 0.000 1.151 871 S HN 1.571 nan 8.310 nan 0.000 0.510 872 L N 1.088 122.138 121.223 -0.289 0.000 2.562 872 L HA 0.636 4.976 4.340 0.000 0.000 0.266 872 L C -0.481 176.279 176.870 -0.183 0.000 0.949 872 L CA -0.101 54.633 54.840 -0.177 0.000 0.879 872 L CB 1.848 43.836 42.059 -0.118 0.000 1.278 872 L HN 0.925 nan 8.230 nan 0.000 0.404 873 S N 3.440 119.057 115.700 -0.138 0.000 2.565 873 S HA 0.788 5.258 4.470 0.000 0.000 0.274 873 S C -0.755 173.790 174.600 -0.091 0.000 1.309 873 S CA -0.342 57.792 58.200 -0.109 0.000 1.043 873 S CB 0.761 63.914 63.200 -0.078 0.000 0.939 873 S HN 0.511 nan 8.310 nan 0.000 0.504 874 V N 7.497 127.365 119.914 -0.076 0.000 2.380 874 V HA 0.392 4.512 4.120 0.000 0.000 0.286 874 V C -2.382 173.590 176.094 -0.203 0.000 1.015 874 V CA -1.795 60.422 62.300 -0.138 0.000 0.834 874 V CB 1.375 33.144 31.823 -0.090 0.000 1.009 874 V HN 0.741 nan 8.190 nan 0.000 0.428 875 P HA 0.326 nan 4.420 nan 0.000 0.272 875 P C -1.373 175.691 177.300 -0.394 0.000 1.223 875 P CA -0.020 62.970 63.100 -0.182 0.000 0.784 875 P CB 0.301 31.937 31.700 -0.107 0.000 0.923 876 Y N -0.301 120.026 120.300 0.044 0.000 2.298 876 Y HA 0.237 4.787 4.550 0.000 0.000 0.322 876 Y C -0.340 175.551 175.900 -0.014 0.000 1.138 876 Y CA -1.001 57.114 58.100 0.024 0.000 1.127 876 Y CB 1.228 39.695 38.460 0.011 0.000 1.178 876 Y HN 0.103 nan 8.280 nan 0.000 0.428 877 V N 4.106 124.078 119.914 0.097 0.000 2.461 877 V HA 0.762 4.882 4.120 0.000 0.000 0.275 877 V C 0.008 176.088 176.094 -0.025 0.000 1.047 877 V CA -0.419 61.889 62.300 0.014 0.000 0.955 877 V CB 0.437 32.214 31.823 -0.076 0.000 0.988 877 V HN 0.633 nan 8.190 nan 0.000 0.471 878 I N 2.297 122.856 120.570 -0.019 0.000 2.969 878 I HA 0.900 5.070 4.170 0.000 0.000 0.307 878 I C -1.124 175.028 176.117 0.057 0.000 1.149 878 I CA -1.226 60.076 61.300 0.003 0.000 1.008 878 I CB 2.623 40.580 38.000 -0.070 0.000 1.232 878 I HN 0.350 nan 8.210 nan 0.000 0.435 879 V N 3.049 123.041 119.914 0.131 0.000 2.462 879 V HA 0.392 4.512 4.120 0.000 0.000 0.288 879 V C -2.459 173.724 176.094 0.149 0.000 1.020 879 V CA -1.472 60.891 62.300 0.105 0.000 0.857 879 V CB 1.458 33.288 31.823 0.012 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 0.453 177.681 177.300 -0.121 0.000 1.193 880 P CA 0.397 63.445 63.100 -0.086 0.000 0.765 880 P CB 0.844 32.534 31.700 -0.017 0.000 0.823 881 L N 2.145 123.238 121.223 -0.215 0.000 2.547 881 L HA 0.205 4.546 4.340 0.000 0.000 0.218 881 L C 0.934 177.735 176.870 -0.115 0.000 1.048 881 L CA 0.417 55.197 54.840 -0.101 0.000 0.859 881 L CB -0.195 41.840 42.059 -0.040 0.000 1.128 881 L HN 0.339 nan 8.230 nan 0.000 0.483 882 K N 0.676 120.961 120.400 -0.191 0.000 2.324 882 K HA 0.471 4.791 4.320 0.000 0.000 0.253 882 K C -0.275 176.223 176.600 -0.170 0.000 0.932 882 K CA -0.606 55.582 56.287 -0.164 0.000 0.799 882 K CB 1.749 34.153 32.500 -0.160 0.000 1.154 882 K HN -0.084 nan 8.250 nan 0.000 0.425 883 T N -0.685 113.792 114.554 -0.127 0.000 2.766 883 T HA 0.556 4.907 4.350 0.000 0.000 0.295 883 T C 0.749 175.385 174.700 -0.106 0.000 1.024 883 T CA 0.287 62.321 62.100 -0.111 0.000 1.018 883 T CB 0.588 69.400 68.868 -0.093 0.000 1.002 883 T HN 1.207 nan 8.240 nan 0.000 0.532 884 G N -0.142 108.604 108.800 -0.090 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 -0.797 174.063 174.900 -0.067 0.000 1.286 884 G CA -0.538 44.517 45.100 -0.074 0.000 0.871 884 G HN 1.298 nan 8.290 nan 0.000 0.568 885 L N 1.357 122.551 121.223 -0.049 0.000 2.617 885 L HA 0.353 4.694 4.340 0.000 0.000 0.282 885 L C 1.019 177.884 176.870 -0.009 0.000 1.174 885 L CA 0.080 54.902 54.840 -0.030 0.000 1.016 885 L CB -0.170 41.877 42.059 -0.021 0.000 1.337 885 L HN 0.586 nan 8.230 nan 0.000 0.460 886 Q N 3.230 123.038 119.800 0.013 0.000 2.189 886 Q HA 0.336 4.676 4.340 0.000 0.000 0.193 886 Q C -0.434 175.662 176.000 0.160 0.000 1.034 886 Q CA -0.264 55.575 55.803 0.060 0.000 1.062 886 Q CB 0.862 29.595 28.738 -0.009 0.000 1.118 886 Q HN 0.664 nan 8.270 nan 0.000 0.569 887 E N 0.031 120.384 120.200 0.255 0.000 2.260 887 E HA 0.431 4.781 4.350 0.000 0.000 0.266 887 E C -1.625 175.066 176.600 0.151 0.000 0.887 887 E CA -0.388 56.114 56.400 0.170 0.000 0.777 887 E CB 1.490 31.250 29.700 0.100 0.000 1.205 887 E HN 0.218 nan 8.360 nan 0.000 0.414 888 V N 4.073 123.979 119.914 -0.013 0.000 2.435 888 V HA 0.428 4.548 4.120 0.000 0.000 0.290 888 V C -0.311 175.726 176.094 -0.096 0.000 1.030 888 V CA -0.549 61.642 62.300 -0.183 0.000 0.881 888 V CB 1.552 33.169 31.823 -0.344 0.000 0.983 888 V HN 0.740 nan 8.190 nan 0.000 0.445 889 E N 3.460 123.599 120.200 -0.102 0.000 2.263 889 E HA 0.672 5.022 4.350 0.000 0.000 0.268 889 E C -1.510 175.039 176.600 -0.086 0.000 0.884 889 E CA -0.569 55.800 56.400 -0.051 0.000 0.766 889 E CB 2.259 31.957 29.700 -0.003 0.000 1.196 889 E HN 0.617 nan 8.360 nan 0.000 0.416 890 V N 0.874 120.750 119.914 -0.065 0.000 2.735 890 V HA 0.711 4.831 4.120 0.000 0.000 0.310 890 V C -0.874 175.225 176.094 0.008 0.000 1.061 890 V CA -0.838 61.417 62.300 -0.075 0.000 0.913 890 V CB 1.737 33.484 31.823 -0.126 0.000 1.005 890 V HN 0.598 nan 8.190 nan 0.000 0.428 891 K N 2.377 122.795 120.400 0.030 0.000 2.385 891 K HA 0.957 5.277 4.320 0.000 0.000 0.248 891 K C -0.901 175.761 176.600 0.104 0.000 0.955 891 K CA -0.576 55.754 56.287 0.072 0.000 0.816 891 K CB 2.577 35.117 32.500 0.066 0.000 1.250 891 K HN 1.251 nan 8.250 nan 0.000 0.434 892 A N 0.883 123.792 122.820 0.148 0.000 2.540 892 A HA 0.777 5.097 4.320 0.000 0.000 0.297 892 A C -1.812 175.919 177.584 0.245 0.000 1.056 892 A CA -0.596 51.562 52.037 0.202 0.000 0.700 892 A CB 1.708 20.871 19.000 0.272 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 0.132 0.000 2.454 893 A HA 0.844 5.165 4.320 0.000 0.000 0.302 893 A C -0.215 177.318 177.584 -0.085 0.000 1.079 893 A CA -0.134 51.924 52.037 0.035 0.000 0.731 893 A CB 1.295 20.270 19.000 -0.040 0.000 1.299 893 A HN 2.186 nan 8.150 nan 0.000 0.413 894 V N -0.720 119.088 119.914 -0.176 0.000 2.617 894 V HA 0.645 4.766 4.120 0.000 0.000 0.298 894 V C -0.599 175.403 176.094 -0.153 0.000 1.048 894 V CA -0.870 61.341 62.300 -0.148 0.000 0.964 894 V CB 0.464 32.143 31.823 -0.241 0.000 1.004 894 V HN 0.665 nan 8.190 nan 0.000 0.466 895 Y N 4.080 124.298 120.300 -0.137 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 0.158 38.488 38.460 -0.217 0.000 1.253 895 Y HN 0.921 nan 8.280 nan 0.000 0.529 896 H N -1.118 117.862 119.070 -0.149 0.000 4.919 896 H HA -0.304 4.252 4.556 0.000 0.000 0.068 896 H C 0.055 175.222 175.328 -0.269 0.000 0.578 896 H CA 1.571 57.495 56.048 -0.208 0.000 1.013 896 H CB -1.225 28.445 29.762 -0.153 0.000 0.454 896 H HN 0.792 nan 8.280 nan 0.000 0.774 897 H N 0.322 119.363 119.070 -0.048 0.000 2.683 897 H HA 0.168 4.724 4.556 0.000 0.000 0.339 897 H C 0.066 175.283 175.328 -0.184 0.000 1.081 897 H CA -0.201 55.817 56.048 -0.051 0.000 1.432 897 H CB 0.241 29.985 29.762 -0.030 0.000 1.462 897 H HN 0.038 nan 8.280 nan 0.000 0.557 898 F N 5.048 125.096 119.950 0.163 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 0.066 0.000 1.207 898 F CA -0.015 58.031 58.000 0.077 0.000 1.306 898 F CB -0.355 38.683 39.000 0.063 0.000 1.657 898 F HN 0.249 nan 8.300 nan 0.000 0.606 899 I N 0.203 120.856 120.570 0.137 0.000 2.934 899 I HA 0.660 4.830 4.170 0.000 0.000 0.306 899 I C -0.394 175.816 176.117 0.154 0.000 1.110 899 I CA -0.844 60.541 61.300 0.141 0.000 1.019 899 I CB 2.475 40.531 38.000 0.094 0.000 1.227 899 I HN 0.177 nan 8.210 nan 0.000 0.434 900 S N 1.567 117.423 115.700 0.260 0.000 2.615 900 S HA 0.693 5.163 4.470 0.000 0.000 0.268 900 S C -1.880 172.901 174.600 0.301 0.000 1.146 900 S CA -0.777 57.605 58.200 0.304 0.000 0.818 900 S CB 2.631 65.938 63.200 0.178 0.000 1.111 900 S HN 0.723 nan 8.310 nan 0.000 0.465 901 D N -0.771 119.782 120.400 0.256 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 0.210 54.307 54.000 0.163 0.000 0.863 901 D CB 1.383 42.253 40.800 0.117 0.000 1.669 901 D HN 0.968 nan 8.370 nan 0.000 0.561 902 G N 0.976 109.846 108.800 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 -0.931 174.046 174.900 0.128 0.000 1.143 902 G CA -0.573 44.589 45.100 0.103 0.000 0.914 902 G HN 0.353 nan 8.290 nan 0.000 0.480 903 V N 1.424 121.410 119.914 0.120 0.000 2.483 903 V HA 0.508 4.629 4.120 0.000 0.000 0.297 903 V C 0.140 176.318 176.094 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 3.885 124.514 120.500 0.216 0.000 2.724 904 R HA 0.390 4.730 4.340 0.000 0.000 0.284 904 R C -0.096 176.325 176.300 0.200 0.000 1.481 904 R CA -0.379 55.809 56.100 0.147 0.000 1.652 904 R CB 0.339 30.700 30.300 0.101 0.000 1.175 904 R HN 0.655 nan 8.270 nan 0.000 0.613 905 K N 0.392 120.878 120.400 0.144 0.000 2.090 905 K HA 0.359 4.679 4.320 0.000 0.000 0.250 905 K C -0.418 176.223 176.600 0.069 0.000 1.004 905 K CA -0.403 55.954 56.287 0.117 0.000 0.919 905 K CB 1.559 34.044 32.500 -0.025 0.000 1.045 905 K HN 0.173 nan 8.250 nan 0.000 0.471 906 S N 1.356 117.097 115.700 0.068 0.000 2.521 906 S HA 0.475 4.946 4.470 0.000 0.000 0.295 906 S C -0.903 173.712 174.600 0.026 0.000 1.098 906 S CA -0.983 57.250 58.200 0.055 0.000 0.999 906 S CB 0.857 64.092 63.200 0.058 0.000 1.034 906 S HN 0.521 nan 8.310 nan 0.000 0.483 907 L N 0.059 121.302 121.223 0.032 0.000 2.362 907 L HA 0.714 5.054 4.340 0.000 0.000 0.271 907 L C -0.849 176.003 176.870 -0.029 0.000 1.002 907 L CA -1.029 53.805 54.840 -0.010 0.000 0.818 907 L CB 1.291 43.355 42.059 0.009 0.000 1.298 907 L HN 0.348 nan 8.230 nan 0.000 0.420 908 K N 2.411 122.729 120.400 -0.136 0.000 2.322 908 K HA 0.394 4.714 4.320 0.000 0.000 0.283 908 K C -0.864 175.674 176.600 -0.103 0.000 1.042 908 K CA -0.494 55.700 56.287 -0.154 0.000 0.958 908 K CB 1.756 34.078 32.500 -0.296 0.000 0.984 908 K HN 0.473 nan 8.250 nan 0.000 0.473 909 V N 4.569 124.439 119.914 -0.073 0.000 2.293 909 V HA 0.137 4.257 4.120 0.000 0.000 0.275 909 V C -0.211 175.839 176.094 -0.074 0.000 1.021 909 V CA -0.835 61.431 62.300 -0.058 0.000 0.815 909 V CB 1.073 32.852 31.823 -0.074 0.000 1.025 909 V HN 0.453 nan 8.190 nan 0.000 0.448 910 V N 8.311 128.185 119.914 -0.066 0.000 2.472 910 V HA 0.415 4.535 4.120 0.000 0.000 0.290 910 V C -1.373 174.679 176.094 -0.071 0.000 1.037 910 V CA -1.462 60.791 62.300 -0.080 0.000 0.908 910 V CB 1.907 33.687 31.823 -0.072 0.000 0.985 910 V HN 0.624 nan 8.190 nan 0.000 0.454 911 P HA 0.022 nan 4.420 nan 0.000 0.313 911 P C -0.468 176.800 177.300 -0.053 0.000 1.332 911 P CA -0.092 62.965 63.100 -0.071 0.000 0.777 911 P CB 0.393 32.043 31.700 -0.084 0.000 1.599 912 E N -0.598 119.580 120.200 -0.037 0.000 2.173 912 E HA 0.621 4.971 4.350 0.000 0.000 0.249 912 E C -0.118 176.481 176.600 -0.002 0.000 0.923 912 E CA -0.902 55.491 56.400 -0.012 0.000 0.754 912 E CB 0.309 30.009 29.700 0.001 0.000 1.177 912 E HN 0.499 nan 8.360 nan 0.000 0.430 913 G N 2.230 111.031 108.800 0.003 0.000 2.682 913 G HA2 0.576 4.536 3.960 0.000 0.000 0.290 913 G HA3 0.576 4.536 3.960 0.000 0.000 0.290 913 G C -1.664 173.290 174.900 0.090 0.000 1.425 913 G CA -0.860 44.269 45.100 0.047 0.000 0.807 913 G HN 0.494 nan 8.290 nan 0.000 0.482 914 I N 0.183 120.807 120.570 0.089 0.000 2.582 914 I HA 0.525 4.695 4.170 0.000 0.000 0.292 914 I C -0.242 175.846 176.117 -0.047 0.000 1.066 914 I CA -1.156 60.169 61.300 0.042 0.000 1.053 914 I CB 1.780 39.779 38.000 -0.001 0.000 1.241 914 I HN 0.347 nan 8.210 nan 0.000 0.421 915 R N 7.155 127.611 120.500 -0.073 0.000 2.640 915 R HA 0.368 4.708 4.340 0.000 0.000 0.270 915 R C -0.815 175.334 176.300 -0.252 0.000 1.024 915 R CA 0.450 56.420 56.100 -0.217 0.000 1.085 915 R CB 0.528 30.742 30.300 -0.144 0.000 0.963 915 R HN 0.696 nan 8.270 nan 0.000 0.426 916 M N 1.840 121.216 119.600 -0.373 0.000 2.562 916 M HA 0.117 4.597 4.480 0.000 0.000 0.281 916 M C -1.125 175.025 176.300 -0.249 0.000 1.195 916 M CA -0.779 54.328 55.300 -0.320 0.000 0.888 916 M CB 2.476 34.838 32.600 -0.397 0.000 1.731 916 M HN 0.547 nan 8.290 nan 0.000 0.493 917 N N 1.089 119.739 118.700 -0.083 0.000 2.765 917 N HA 0.266 5.006 4.740 0.000 0.000 0.277 917 N C -1.493 174.062 175.510 0.075 0.000 1.750 917 N CA -0.708 52.352 53.050 0.016 0.000 0.827 917 N CB 0.411 38.895 38.487 -0.006 0.000 1.200 917 N HN 0.465 nan 8.380 nan 0.000 0.494 918 K N 0.448 120.952 120.400 0.172 0.000 2.489 918 K HA 0.075 4.395 4.320 0.000 0.000 0.278 918 K C -0.182 176.472 176.600 0.089 0.000 1.000 918 K CA 0.439 56.813 56.287 0.145 0.000 1.012 918 K CB 0.351 32.975 32.500 0.206 0.000 0.903 918 K HN 0.308 nan 8.250 nan 0.000 0.485 919 T N 2.730 117.317 114.554 0.055 0.000 2.761 919 T HA 0.046 4.396 4.350 0.000 0.000 0.296 919 T C 1.710 176.426 174.700 0.028 0.000 0.934 919 T CA -0.613 61.510 62.100 0.037 0.000 1.091 919 T CB 1.004 69.887 68.868 0.025 0.000 0.896 919 T HN 0.273 nan 8.240 nan 0.000 0.515 920 V N 2.549 122.480 119.914 0.027 0.000 2.221 920 V HA 0.187 4.307 4.120 0.000 0.000 0.242 920 V C 1.150 177.241 176.094 -0.004 0.000 1.041 920 V CA 1.747 64.054 62.300 0.012 0.000 0.995 920 V CB -0.638 31.200 31.823 0.024 0.000 0.635 920 V HN 1.055 nan 8.190 nan 0.000 0.448 921 A N -0.945 121.873 122.820 -0.002 0.000 2.608 921 A HA 0.663 4.983 4.320 0.000 0.000 0.292 921 A C -1.312 176.270 177.584 -0.003 0.000 1.066 921 A CA 0.057 52.086 52.037 -0.013 0.000 0.676 921 A CB 1.944 20.921 19.000 -0.038 0.000 1.277 921 A HN 0.918 nan 8.150 nan 0.000 0.413 922 V N -0.597 119.315 119.914 -0.005 0.000 2.439 922 V HA 0.790 4.911 4.120 0.000 0.000 0.277 922 V C -0.541 175.551 176.094 -0.002 0.000 1.008 922 V CA -0.625 61.675 62.300 0.001 0.000 0.846 922 V CB 0.470 32.295 31.823 0.004 0.000 1.031 922 V HN 0.920 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 0.818 5.158 4.340 0.000 0.000 0.262 923 R C -0.586 175.715 176.300 0.002 0.000 1.057 923 R CA -0.794 55.304 56.100 -0.004 0.000 0.981 923 R CB 2.380 32.673 30.300 -0.012 0.000 1.201 923 R HN 0.657 nan 8.270 nan 0.000 0.484 924 T N 1.922 116.479 114.554 0.004 0.000 2.837 924 T HA 0.393 4.743 4.350 0.000 0.000 0.285 924 T C -0.230 174.475 174.700 0.008 0.000 0.984 924 T CA -0.533 61.572 62.100 0.008 0.000 1.049 924 T CB 0.636 69.510 68.868 0.010 0.000 0.947 924 T HN 0.161 nan 8.240 nan 0.000 0.472 925 L N 3.646 124.875 121.223 0.011 0.000 2.276 925 L HA 0.504 4.844 4.340 0.000 0.000 0.286 925 L C -0.363 176.515 176.870 0.012 0.000 1.024 925 L CA -0.464 54.383 54.840 0.012 0.000 0.826 925 L CB 0.862 42.930 42.059 0.015 0.000 1.211 925 L HN 0.618 nan 8.230 nan 0.000 0.422 926 D N 4.897 125.304 120.400 0.011 0.000 2.351 926 D HA 0.221 4.861 4.640 0.000 0.000 0.235 926 D C -2.184 174.121 176.300 0.009 0.000 1.331 926 D CA -1.324 52.683 54.000 0.011 0.000 0.959 926 D CB 2.030 42.840 40.800 0.015 0.000 1.432 926 D HN 0.035 nan 8.370 nan 0.000 0.544 927 P HA -0.136 nan 4.420 nan 0.000 0.216 927 P C 1.138 178.442 177.300 0.006 0.000 1.150 927 P CA 0.919 64.022 63.100 0.006 0.000 0.837 927 P CB 0.445 32.148 31.700 0.004 0.000 0.786 928 E N -0.745 119.458 120.200 0.005 0.000 2.267 928 E HA -0.222 4.128 4.350 0.000 0.000 0.197 928 E C 2.009 178.615 176.600 0.009 0.000 0.998 928 E CA 1.324 57.727 56.400 0.005 0.000 0.830 928 E CB -0.156 29.545 29.700 0.001 0.000 0.751 928 E HN -0.050 nan 8.360 nan 0.000 0.491 929 R N -0.851 119.656 120.500 0.011 0.000 2.215 929 R HA 0.346 4.686 4.340 0.000 0.000 0.190 929 R C -0.217 176.090 176.300 0.012 0.000 0.968 929 R CA 0.440 56.549 56.100 0.014 0.000 1.122 929 R CB 0.161 30.472 30.300 0.019 0.000 1.151 929 R HN 0.121 nan 8.270 nan 0.000 0.582 930 L N 0.972 122.201 121.223 0.010 0.000 2.275 930 L HA 0.480 4.820 4.340 0.000 0.000 0.288 930 L C 0.634 177.507 176.870 0.006 0.000 1.046 930 L CA 0.080 54.925 54.840 0.008 0.000 0.805 930 L CB 1.863 43.926 42.059 0.007 0.000 1.193 930 L HN 0.680 nan 8.230 nan 0.000 0.426 931 G N 2.096 110.899 108.800 0.005 0.000 2.176 931 G HA2 -0.309 3.651 3.960 0.000 0.000 0.253 931 G HA3 -0.309 3.651 3.960 0.000 0.000 0.253 931 G C 0.841 175.744 174.900 0.005 0.000 0.979 931 G CA 0.618 45.720 45.100 0.004 0.000 0.641 931 G HN 0.823 nan 8.290 nan 0.000 0.530 932 R N -0.300 120.203 120.500 0.006 0.000 3.844 932 R HA -0.424 3.916 4.340 0.000 0.000 0.414 932 R C 1.547 177.851 176.300 0.006 0.000 0.248 932 R CA 3.516 59.620 56.100 0.007 0.000 1.320 932 R CB -1.652 28.652 30.300 0.007 0.000 0.937 932 R HN 1.040 nan 8.270 nan 0.000 0.585 933 E N -1.246 118.957 120.200 0.006 0.000 3.442 933 E HA -0.370 3.980 4.350 0.000 0.000 0.345 933 E C 0.959 177.562 176.600 0.005 0.000 1.218 933 E CA 3.255 59.658 56.400 0.005 0.000 1.674 933 E CB -1.348 28.354 29.700 0.005 0.000 1.582 933 E HN 0.928 nan 8.360 nan 0.000 0.332 934 G N -1.750 107.053 108.800 0.005 0.000 3.987 934 G HA2 0.055 4.015 3.960 0.000 0.000 0.220 934 G HA3 0.055 4.015 3.960 0.000 0.000 0.220 934 G C -0.265 174.638 174.900 0.005 0.000 0.871 934 G CA 0.376 45.479 45.100 0.005 0.000 0.881 934 G HN 1.043 nan 8.290 nan 0.000 0.674 935 V N -0.761 119.156 119.914 0.006 0.000 2.464 935 V HA 0.593 4.713 4.120 0.000 0.000 0.255 935 V C 0.027 176.125 176.094 0.007 0.000 0.946 935 V CA -0.602 61.702 62.300 0.007 0.000 0.988 935 V CB 0.597 32.424 31.823 0.007 0.000 1.210 935 V HN 0.370 nan 8.190 nan 0.000 0.523 936 Q N 3.177 122.981 119.800 0.007 0.000 2.269 936 Q HA 0.145 4.485 4.340 0.000 0.000 0.300 936 Q C -0.003 176.001 176.000 0.007 0.000 1.070 936 Q CA 0.467 56.273 55.803 0.006 0.000 0.957 936 Q CB 0.658 29.400 28.738 0.006 0.000 1.131 936 Q HN 0.883 nan 8.270 nan 0.000 0.377 937 K N 2.289 122.691 120.400 0.003 0.000 2.166 937 K HA 0.649 4.969 4.320 0.000 0.000 0.245 937 K C -1.210 175.385 176.600 -0.008 0.000 0.967 937 K CA -0.860 55.428 56.287 0.002 0.000 0.863 937 K CB 1.677 34.177 32.500 0.001 0.000 1.107 937 K HN 0.387 nan 8.250 nan 0.000 0.436 938 E N 0.734 120.925 120.200 -0.015 0.000 2.294 938 E HA 0.264 4.614 4.350 0.000 0.000 0.272 938 E C -1.655 174.900 176.600 -0.075 0.000 0.896 938 E CA -0.446 55.930 56.400 -0.039 0.000 0.802 938 E CB 0.950 30.630 29.700 -0.035 0.000 1.267 938 E HN 0.595 nan 8.360 nan 0.000 0.406 939 D N 3.996 124.346 120.400 -0.083 0.000 2.308 939 D HA 0.286 4.926 4.640 0.000 0.000 0.251 939 D C 0.037 176.229 176.300 -0.180 0.000 1.127 939 D CA 0.177 54.108 54.000 -0.115 0.000 0.876 939 D CB 0.809 41.563 40.800 -0.078 0.000 1.176 939 D HN 0.394 nan 8.370 nan 0.000 0.446 940 I N 3.770 124.162 120.570 -0.297 0.000 2.420 940 I HA 0.197 4.367 4.170 0.000 0.000 0.282 940 I C -2.327 173.602 176.117 -0.313 0.000 1.019 940 I CA -2.084 58.976 61.300 -0.401 0.000 1.130 940 I CB 1.820 39.314 38.000 -0.843 0.000 1.262 940 I HN -0.060 nan 8.210 nan 0.000 0.454 941 P HA 0.174 nan 4.420 nan 0.000 0.271 941 P C -2.326 174.918 177.300 -0.093 0.000 1.216 941 P CA -0.827 62.206 63.100 -0.112 0.000 0.776 941 P CB -0.099 31.554 31.700 -0.078 0.000 0.881 942 P HA 0.154 nan 4.420 nan 0.000 0.275 942 P C -0.871 176.412 177.300 -0.028 0.000 1.266 942 P CA -0.441 62.652 63.100 -0.011 0.000 0.793 942 P CB 0.491 32.195 31.700 0.005 0.000 1.074 943 A N 1.416 124.217 122.820 -0.031 0.000 2.396 943 A HA 0.140 4.460 4.320 0.000 0.000 0.279 943 A C 1.363 178.888 177.584 -0.097 0.000 1.165 943 A CA -0.344 51.649 52.037 -0.073 0.000 0.824 943 A CB -0.451 18.485 19.000 -0.106 0.000 1.100 943 A HN 0.654 nan 8.150 nan 0.000 0.516 944 D N 3.740 124.088 120.400 -0.087 0.000 2.117 944 D HA -0.194 4.446 4.640 0.000 0.000 0.198 944 D C 0.812 177.043 176.300 -0.114 0.000 0.982 944 D CA 0.956 54.909 54.000 -0.077 0.000 0.828 944 D CB -0.888 39.882 40.800 -0.050 0.000 0.967 944 D HN 0.875 nan 8.370 nan 0.000 0.464 945 L N 1.129 122.244 121.223 -0.180 0.000 4.105 945 L HA -0.221 4.119 4.340 0.000 0.000 0.484 945 L C 1.194 177.996 176.870 -0.114 0.000 1.129 945 L CA 0.634 55.318 54.840 -0.259 0.000 0.657 945 L CB -3.312 38.387 42.059 -0.601 0.000 1.409 945 L HN 0.122 nan 8.230 nan 0.000 0.770 946 S N -1.159 114.513 115.700 -0.047 0.000 2.500 946 S HA -0.105 4.365 4.470 0.000 0.000 0.239 946 S C 0.984 175.594 174.600 0.016 0.000 0.989 946 S CA 0.658 58.850 58.200 -0.013 0.000 0.951 946 S CB -0.337 62.862 63.200 -0.003 0.000 0.759 946 S HN 0.830 nan 8.310 nan 0.000 0.523 947 D N 0.315 120.742 120.400 0.046 0.000 2.772 947 D HA 0.133 4.773 4.640 0.000 0.000 0.272 947 D C -0.044 176.346 176.300 0.149 0.000 1.314 947 D CA -0.408 53.645 54.000 0.089 0.000 0.835 947 D CB -0.566 40.296 40.800 0.103 0.000 1.080 947 D HN 0.511 nan 8.370 nan 0.000 0.482 948 Q N 0.979 120.846 119.800 0.112 0.000 2.294 948 Q HA 0.279 4.619 4.340 0.000 0.000 0.257 948 Q C -0.482 175.589 176.000 0.119 0.000 0.955 948 Q CA -0.649 55.256 55.803 0.169 0.000 0.936 948 Q CB 1.381 30.163 28.738 0.073 0.000 1.188 948 Q HN -0.002 nan 8.270 nan 0.000 0.420 949 V N 7.813 127.809 119.914 0.137 0.000 2.509 949 V HA 0.032 4.152 4.120 0.000 0.000 0.297 949 V C -1.953 174.173 176.094 0.053 0.000 1.014 949 V CA -0.859 61.486 62.300 0.076 0.000 1.127 949 V CB 0.110 31.967 31.823 0.057 0.000 0.925 949 V HN 0.826 nan 8.190 nan 0.000 0.480 950 P HA 0.047 nan 4.420 nan 0.000 0.266 950 P C 0.364 177.664 177.300 0.001 0.000 1.193 950 P CA 0.455 63.562 63.100 0.012 0.000 0.770 950 P CB 0.202 31.903 31.700 0.001 0.000 0.836 951 D N -0.374 120.025 120.400 -0.002 0.000 2.947 951 D HA -0.125 4.516 4.640 0.000 0.000 0.224 951 D C -0.795 175.501 176.300 -0.008 0.000 1.132 951 D CA 1.521 55.513 54.000 -0.013 0.000 0.801 951 D CB -1.589 39.191 40.800 -0.032 0.000 1.097 951 D HN 0.495 nan 8.370 nan 0.000 0.431 952 T N -1.949 112.619 114.554 0.023 0.000 2.893 952 T HA 0.699 5.049 4.350 0.000 0.000 0.291 952 T C 0.008 174.764 174.700 0.094 0.000 1.028 952 T CA -0.936 61.196 62.100 0.053 0.000 0.995 952 T CB 2.127 71.047 68.868 0.087 0.000 1.051 952 T HN 0.116 nan 8.240 nan 0.000 0.470 953 E N 1.388 121.656 120.200 0.114 0.000 2.318 953 E HA 0.643 4.993 4.350 0.000 0.000 0.265 953 E C -0.484 176.201 176.600 0.141 0.000 1.069 953 E CA -0.900 55.561 56.400 0.103 0.000 0.893 953 E CB 0.805 30.551 29.700 0.077 0.000 1.076 953 E HN 0.853 nan 8.360 nan 0.000 0.414 954 S N -0.226 115.533 115.700 0.098 0.000 2.592 954 S HA 0.404 4.874 4.470 0.000 0.000 0.275 954 S C -1.031 173.606 174.600 0.061 0.000 1.169 954 S CA -1.183 57.079 58.200 0.103 0.000 0.958 954 S CB 0.659 63.931 63.200 0.120 0.000 1.095 954 S HN 0.661 nan 8.310 nan 0.000 0.471 955 E N 1.365 121.598 120.200 0.054 0.000 2.202 955 E HA 0.672 5.022 4.350 0.000 0.000 0.272 955 E C -1.068 175.553 176.600 0.034 0.000 0.951 955 E CA -0.853 55.566 56.400 0.032 0.000 0.813 955 E CB 1.504 31.216 29.700 0.021 0.000 1.151 955 E HN 0.443 nan 8.360 nan 0.000 0.398 956 T N 2.397 116.963 114.554 0.021 0.000 2.779 956 T HA 0.340 4.691 4.350 0.000 0.000 0.280 956 T C -0.552 174.154 174.700 0.010 0.000 0.987 956 T CA -0.692 61.427 62.100 0.031 0.000 0.966 956 T CB 0.900 69.798 68.868 0.051 0.000 0.933 956 T HN 0.415 nan 8.240 nan 0.000 0.442 957 R N 3.610 124.123 120.500 0.022 0.000 2.387 957 R HA 0.578 4.918 4.340 0.000 0.000 0.314 957 R C -0.885 175.427 176.300 0.020 0.000 0.958 957 R CA -0.637 55.466 56.100 0.005 0.000 0.846 957 R CB 0.599 30.901 30.300 0.003 0.000 1.147 957 R HN 0.601 nan 8.270 nan 0.000 0.447 958 I N 5.684 126.253 120.570 -0.003 0.000 2.353 958 I HA 0.299 4.469 4.170 0.000 0.000 0.293 958 I C -0.410 175.703 176.117 -0.006 0.000 0.992 958 I CA -0.777 60.536 61.300 0.022 0.000 1.268 958 I CB 1.647 39.650 38.000 0.004 0.000 1.387 958 I HN 0.475 nan 8.210 nan 0.000 0.478 959 L N 7.459 128.687 121.223 0.009 0.000 2.349 959 L HA 0.559 4.899 4.340 0.000 0.000 0.278 959 L C -1.326 175.539 176.870 -0.008 0.000 0.996 959 L CA -0.524 54.309 54.840 -0.011 0.000 0.825 959 L CB 1.444 43.499 42.059 -0.005 0.000 1.243 959 L HN 0.544 nan 8.230 nan 0.000 0.412 960 L N 5.039 126.245 121.223 -0.030 0.000 2.287 960 L HA 0.535 4.875 4.340 0.000 0.000 0.287 960 L C -0.584 176.271 176.870 -0.024 0.000 1.022 960 L CA -0.094 54.733 54.840 -0.022 0.000 0.814 960 L CB 1.761 43.801 42.059 -0.032 0.000 1.217 960 L HN 0.612 nan 8.230 nan 0.000 0.420 961 Q N 2.172 121.964 119.800 -0.013 0.000 2.323 961 Q HA 0.566 4.906 4.340 0.000 0.000 0.271 961 Q C -0.495 175.501 176.000 -0.008 0.000 1.048 961 Q CA -0.671 55.123 55.803 -0.015 0.000 0.792 961 Q CB 2.172 30.902 28.738 -0.012 0.000 1.280 961 Q HN 0.691 nan 8.270 nan 0.000 0.441 962 G N 1.609 110.402 108.800 -0.013 0.000 2.370 962 G HA2 0.339 4.299 3.960 0.000 0.000 0.272 962 G HA3 0.339 4.299 3.960 0.000 0.000 0.272 962 G C -0.499 174.402 174.900 0.002 0.000 1.208 962 G CA -0.225 44.873 45.100 -0.003 0.000 0.856 962 G HN 0.567 nan 8.290 nan 0.000 0.500 963 T N 5.142 119.708 114.554 0.020 0.000 3.355 963 T HA 0.364 4.714 4.350 0.000 0.000 0.376 963 T C -2.259 172.475 174.700 0.057 0.000 1.683 963 T CA -0.776 61.341 62.100 0.029 0.000 1.269 963 T CB 0.906 69.791 68.868 0.028 0.000 1.158 963 T HN 0.341 nan 8.240 nan 0.000 0.703 964 P HA 0.365 nan 4.420 nan 0.000 0.279 964 P C -0.706 176.679 177.300 0.142 0.000 1.239 964 P CA -0.575 62.605 63.100 0.133 0.000 0.789 964 P CB 0.800 32.574 31.700 0.124 0.000 0.933 965 V N -0.596 119.438 119.914 0.200 0.000 2.398 965 V HA 0.784 4.904 4.120 0.000 0.000 0.282 965 V C 0.121 176.360 176.094 0.242 0.000 1.014 965 V CA -0.923 61.481 62.300 0.174 0.000 0.838 965 V CB 0.607 32.506 31.823 0.127 0.000 1.018 965 V HN 0.654 nan 8.190 nan 0.000 0.432 966 A N 3.737 126.671 122.820 0.188 0.000 2.599 966 A HA 0.897 5.217 4.320 0.000 0.000 0.257 966 A C 0.284 177.910 177.584 0.070 0.000 1.641 966 A CA -0.031 52.112 52.037 0.177 0.000 0.842 966 A CB 0.282 19.401 19.000 0.198 0.000 1.599 966 A HN 1.169 nan 8.150 nan 0.000 0.585 967 Q N -3.433 116.401 119.800 0.057 0.000 0.898 967 Q HA -0.045 4.295 4.340 0.000 0.000 0.244 967 Q C -1.193 174.814 176.000 0.012 0.000 1.081 967 Q CA 0.137 55.949 55.803 0.015 0.000 0.418 967 Q CB -0.682 28.041 28.738 -0.025 0.000 5.261 967 Q HN 1.347 nan 8.270 nan 0.000 0.328 968 M N -0.649 118.958 119.600 0.011 0.000 3.984 968 M HA -0.116 4.364 4.480 0.000 0.000 0.158 968 M C -1.013 175.311 176.300 0.040 0.000 1.520 968 M CA 1.190 56.509 55.300 0.030 0.000 1.077 968 M CB -2.469 30.147 32.600 0.028 0.000 1.341 968 M HN 0.721 nan 8.290 nan 0.000 0.264 969 T N 2.169 116.764 114.554 0.068 0.000 3.505 969 T HA 0.194 4.544 4.350 0.000 0.000 0.308 969 T C -0.137 174.663 174.700 0.167 0.000 0.767 969 T CA -0.741 61.410 62.100 0.086 0.000 1.194 969 T CB 1.127 70.008 68.868 0.022 0.000 0.997 969 T HN 0.455 nan 8.240 nan 0.000 0.504 970 E N 2.884 123.254 120.200 0.283 0.000 2.498 970 E HA 0.013 4.363 4.350 0.000 0.000 0.252 970 E C 0.084 176.816 176.600 0.221 0.000 1.025 970 E CA -0.142 56.387 56.400 0.215 0.000 0.938 970 E CB 0.484 30.273 29.700 0.148 0.000 0.947 970 E HN 0.462 nan 8.360 nan 0.000 0.478 971 D N 1.569 122.048 120.400 0.132 0.000 2.461 971 D HA -0.028 4.612 4.640 0.000 0.000 0.231 971 D C 0.297 176.675 176.300 0.130 0.000 1.208 971 D CA 0.489 54.558 54.000 0.116 0.000 0.879 971 D CB 0.644 41.493 40.800 0.081 0.000 1.220 971 D HN 0.482 nan 8.370 nan 0.000 0.480 972 A N 1.396 124.298 122.820 0.137 0.000 2.951 972 A HA 0.468 4.788 4.320 0.000 0.000 0.239 972 A C -0.064 177.646 177.584 0.210 0.000 1.623 972 A CA -0.541 51.615 52.037 0.197 0.000 0.868 972 A CB 0.098 19.195 19.000 0.162 0.000 1.712 972 A HN 0.333 nan 8.150 nan 0.000 0.558 973 V N 1.080 121.201 119.914 0.344 0.000 2.686 973 V HA 0.045 4.165 4.120 0.000 0.000 0.295 973 V C 1.404 177.636 176.094 0.231 0.000 1.055 973 V CA 0.616 63.087 62.300 0.285 0.000 1.050 973 V CB 1.024 33.052 31.823 0.342 0.000 0.984 973 V HN 0.991 nan 8.190 nan 0.000 0.482 974 D N 3.173 123.693 120.400 0.200 0.000 2.149 974 D HA -0.178 4.462 4.640 0.000 0.000 0.198 974 D C 1.671 178.048 176.300 0.127 0.000 0.990 974 D CA 1.941 56.027 54.000 0.143 0.000 0.839 974 D CB 0.053 40.930 40.800 0.129 0.000 0.948 974 D HN 0.921 nan 8.370 nan 0.000 0.460 975 A N -1.359 121.551 122.820 0.150 0.000 3.870 975 A HA -0.401 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 2.999 55.112 52.037 0.126 0.000 1.221 975 A CB -2.340 16.710 19.000 0.084 0.000 1.199 975 A HN 0.527 nan 8.150 nan 0.000 0.685 976 E N -0.090 120.161 120.200 0.084 0.000 2.160 976 E HA -0.146 4.204 4.350 0.000 0.000 0.195 976 E C 1.577 178.167 176.600 -0.017 0.000 0.991 976 E CA 1.597 58.017 56.400 0.033 0.000 0.810 976 E CB -0.720 28.990 29.700 0.017 0.000 0.742 976 E HN 0.911 nan 8.360 nan 0.000 0.466 977 R N -0.893 119.578 120.500 -0.048 0.000 2.935 977 R HA 0.492 4.832 4.340 0.000 0.000 0.354 977 R C -0.014 176.175 176.300 -0.186 0.000 1.206 977 R CA -0.110 55.907 56.100 -0.140 0.000 1.082 977 R CB -0.052 30.116 30.300 -0.220 0.000 1.431 977 R HN 0.272 nan 8.270 nan 0.000 0.582 978 L N 1.410 122.615 121.223 -0.031 0.000 2.574 978 L HA 0.314 4.654 4.340 0.000 0.000 0.258 978 L C -0.793 176.121 176.870 0.074 0.000 1.520 978 L CA -0.171 54.677 54.840 0.012 0.000 0.775 978 L CB 0.586 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 1.672 122.138 120.400 0.109 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 0.128 0.000 1.140 979 K CA -0.266 56.096 56.287 0.124 0.000 1.030 979 K CB 0.206 32.690 32.500 -0.027 0.000 1.437 979 K HN 0.500 nan 8.250 nan 0.000 0.552 980 H N -1.208 117.892 119.070 0.051 0.000 3.950 980 H HA 0.121 4.677 4.556 0.000 0.000 0.262 980 H C 1.097 176.442 175.328 0.027 0.000 1.115 980 H CA -0.274 55.791 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 1.663 122.639 121.223 -0.412 0.000 2.362 981 L HA 0.016 4.356 4.340 0.000 0.000 0.219 981 L C 0.673 177.502 176.870 -0.069 0.000 1.134 981 L CA 0.469 55.153 54.840 -0.260 0.000 0.807 981 L CB -0.091 41.725 42.059 -0.406 0.000 0.927 981 L HN 0.184 nan 8.230 nan 0.000 0.447 982 I N 1.388 121.956 120.570 -0.003 0.000 2.330 982 I HA 0.039 4.210 4.170 0.000 0.000 0.280 982 I C 0.192 176.351 176.117 0.069 0.000 1.069 982 I CA 0.191 61.527 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 2.893 122.844 119.914 0.062 0.000 2.498 983 V HA 0.159 4.279 4.120 0.000 0.000 0.279 983 V C 0.934 177.066 176.094 0.062 0.000 1.048 983 V CA -0.425 61.916 62.300 0.069 0.000 0.967 983 V CB 1.384 33.252 31.823 0.076 0.000 0.988 983 V HN 0.525 nan 8.190 nan 0.000 0.473 984 T N 7.953 122.542 114.554 0.058 0.000 2.751 984 T HA 0.188 4.538 4.350 0.000 0.000 0.290 984 T C -2.275 172.455 174.700 0.049 0.000 0.919 984 T CA -0.547 61.584 62.100 0.053 0.000 1.136 984 T CB 0.389 69.286 68.868 0.048 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 1.242 116.958 115.700 0.027 0.000 2.587 986 S HA 0.843 5.313 4.470 0.000 0.000 0.269 986 S C -0.200 174.400 174.600 0.001 0.000 1.154 986 S CA -0.096 58.120 58.200 0.028 0.000 0.824 986 S CB 1.563 64.786 63.200 0.037 0.000 1.118 986 S HN 0.861 nan 8.310 nan 0.000 0.462 987 G N -0.125 108.680 108.800 0.009 0.000 2.341 987 G HA2 0.045 4.005 3.960 0.000 0.000 0.196 987 G HA3 0.045 4.005 3.960 0.000 0.000 0.196 987 G C 0.271 175.121 174.900 -0.083 0.000 1.231 987 G CA -0.116 44.970 45.100 -0.023 0.000 1.155 987 G HN 1.442 nan 8.290 nan 0.000 0.529 988 C N -0.320 118.825 119.300 -0.258 0.000 1.822 988 C HA 0.716 5.176 4.460 0.000 0.000 0.085 988 C C 2.804 176.989 174.990 -1.343 0.000 2.775 988 C CA 1.371 60.005 59.018 -0.641 0.000 1.806 988 C CB -0.131 27.138 27.740 -0.785 0.000 2.480 988 C HN 1.435 nan 8.230 nan 0.000 0.258 989 G N 0.122 108.086 108.800 -1.394 0.000 2.447 989 G HA2 -0.033 3.928 3.960 0.000 0.000 0.211 989 G HA3 -0.033 3.928 3.960 0.000 0.000 0.211 989 G C 1.394 176.014 174.900 -0.468 0.000 1.184 989 G CA 0.872 45.286 45.100 -1.143 0.000 0.813 989 G HN 0.859 nan 8.290 nan 0.000 0.540 990 E N 0.138 120.171 120.200 -0.279 0.000 2.170 990 E HA -0.008 4.343 4.350 0.000 0.000 0.191 990 E C 2.210 178.719 176.600 -0.152 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 0.035 0.000 0.775 990 E HN 0.438 nan 8.360 nan 0.000 0.470 991 Q N 0.729 120.401 119.800 -0.214 0.000 2.170 991 Q HA -0.147 4.193 4.340 0.000 0.000 0.203 991 Q C 1.853 177.770 176.000 -0.139 0.000 0.976 991 Q CA 1.411 57.083 55.803 -0.219 0.000 0.858 991 Q CB -0.202 28.445 28.738 -0.152 0.000 0.907 991 Q HN 0.224 nan 8.270 nan 0.000 0.433 992 N N 0.177 118.784 118.700 -0.155 0.000 2.270 992 N HA -0.100 4.640 4.740 0.000 0.000 0.181 992 N C 1.523 177.026 175.510 -0.011 0.000 1.016 992 N CA 1.050 54.052 53.050 -0.080 0.000 0.870 992 N CB 0.126 38.546 38.487 -0.111 0.000 0.979 992 N HN 0.098 nan 8.380 nan 0.000 0.431 993 M N 0.151 119.751 119.600 -0.001 0.000 2.156 993 M HA 0.043 4.523 4.480 0.000 0.000 0.264 993 M C 1.934 178.304 176.300 0.117 0.000 1.067 993 M CA 0.811 56.172 55.300 0.103 0.000 1.131 993 M CB -0.795 31.906 32.600 0.167 0.000 1.368 993 M HN 0.183 nan 8.290 nan 0.000 0.416 994 I N -0.424 120.169 120.570 0.039 0.000 2.454 994 I HA -0.171 3.999 4.170 0.000 0.000 0.254 994 I C 2.326 178.474 176.117 0.052 0.000 1.156 994 I CA 1.256 62.573 61.300 0.028 0.000 1.433 994 I CB -0.862 37.093 38.000 -0.076 0.000 1.082 994 I HN 0.318 nan 8.210 nan 0.000 0.432 995 G N 0.267 109.090 108.800 0.038 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 1.677 176.620 174.900 0.073 0.000 1.142 995 G CA 0.804 45.935 45.100 0.051 0.000 0.793 995 G HN 0.340 nan 8.290 nan 0.000 0.534 996 M N -0.206 119.446 119.600 0.086 0.000 2.510 996 M HA 0.254 4.734 4.480 0.000 0.000 0.256 996 M C 2.494 178.871 176.300 0.129 0.000 1.132 996 M CA 1.794 57.151 55.300 0.095 0.000 1.105 996 M CB -1.303 31.351 32.600 0.091 0.000 1.375 996 M HN 0.089 nan 8.290 nan 0.000 0.477 997 T N 1.870 116.526 114.554 0.170 0.000 2.652 997 T HA -0.097 4.253 4.350 0.000 0.000 0.267 997 T C -0.203 174.648 174.700 0.252 0.000 1.039 997 T CA 2.090 64.342 62.100 0.254 0.000 1.153 997 T CB -1.062 67.994 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 1.461 178.772 177.300 0.019 0.000 1.153 998 P CA 1.422 64.573 63.100 0.085 0.000 0.853 998 P CB -0.354 31.386 31.700 0.066 0.000 0.788 999 T N 0.218 114.800 114.554 0.047 0.000 2.777 999 T HA -0.066 4.285 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 1.229 63.349 62.100 0.033 0.000 1.141 999 T CB -0.979 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 1.266 121.233 119.914 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 1.318 63.681 62.300 0.105 0.000 1.015 1000 V CB -0.525 31.386 31.823 0.146 0.000 0.642 1000 V HN 0.357 nan 8.190 nan 0.000 0.446 1001 I N 0.378 121.010 120.570 0.103 0.000 2.614 1001 I HA -0.078 4.092 4.170 0.000 0.000 0.258 1001 I C 2.248 178.326 176.117 -0.065 0.000 1.189 1001 I CA 1.297 62.590 61.300 -0.012 0.000 1.462 1001 I CB -0.571 37.388 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 -0.163 0.000 1.186 1002 A CA 1.959 53.823 52.037 -0.288 0.000 0.616 1002 A CB -1.119 17.694 19.000 -0.311 0.000 0.823 1002 A HN 0.247 nan 8.150 nan 0.000 0.442 1003 V N -0.253 119.667 119.914 0.010 0.000 2.343 1003 V HA -0.275 3.845 4.120 0.000 0.000 0.247 1003 V C 2.479 178.676 176.094 0.171 0.000 1.051 1003 V CA 2.466 64.883 62.300 0.195 0.000 1.036 1003 V CB -1.094 30.869 31.823 0.233 0.000 0.654 1003 V HN 0.861 nan 8.190 nan 0.000 0.451 1004 H N -1.226 117.870 119.070 0.044 0.000 2.421 1004 H HA -0.229 4.327 4.556 0.000 0.000 0.298 1004 H C 2.035 177.383 175.328 0.034 0.000 1.087 1004 H CA 2.078 58.146 56.048 0.033 0.000 1.330 1004 H CB -0.147 29.615 29.762 -0.001 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 1.959 177.722 175.900 -0.229 0.000 1.120 1005 Y CA 1.106 59.116 58.100 -0.149 0.000 1.159 1005 Y CB -0.007 38.382 38.460 -0.118 0.000 1.024 1005 Y HN 0.184 nan 8.280 nan 0.000 0.532 1006 L N -0.243 120.827 121.223 -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 0.981 55.482 54.840 -0.564 0.000 0.799 1006 L CB -0.407 40.804 42.059 -1.413 0.000 0.925 1006 L HN 0.171 nan 8.230 nan 0.000 0.446 1007 D N -0.051 120.354 120.400 0.009 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 0.970 55.035 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 -0.234 119.833 120.200 -0.222 0.000 2.435 1008 E HA -0.017 4.333 4.350 0.000 0.000 0.195 1008 E C 1.514 177.973 176.600 -0.236 0.000 1.029 1008 E CA 0.617 56.874 56.400 -0.238 0.000 0.865 1008 E CB 0.105 29.616 29.700 -0.315 0.000 0.833 1008 E HN 0.403 nan 8.360 nan 0.000 0.510 1009 T N -1.154 113.229 114.554 -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 -0.140 0.000 1.019 1009 T CA -0.030 61.918 62.100 -0.254 0.000 0.921 1009 T CB 0.058 68.686 68.868 -0.401 0.000 1.053 1009 T HN 0.089 nan 8.240 nan 0.000 0.533 1010 E N 1.673 121.825 120.200 -0.080 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 0.844 57.261 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 -1.213 118.523 119.800 -0.106 0.000 2.222 1011 Q HA 0.120 4.460 4.340 0.000 0.000 0.206 1011 Q C 0.719 176.684 176.000 -0.058 0.000 0.877 1011 Q CA -0.002 55.749 55.803 -0.086 0.000 0.958 1011 Q CB -0.139 28.522 28.738 -0.128 0.000 1.075 1011 Q HN 0.506 nan 8.270 nan 0.000 0.483 1012 W N 1.301 122.621 121.300 0.032 0.000 2.525 1012 W HA -0.075 4.585 4.660 0.000 0.000 0.259 1012 W C 1.585 178.174 176.519 0.116 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 0.316 120.673 120.200 0.263 0.000 2.046 1013 E HA -0.161 4.189 4.350 0.000 0.000 0.190 1013 E C 1.962 178.649 176.600 0.144 0.000 0.982 1013 E CA 0.861 57.366 56.400 0.175 0.000 0.800 1013 E CB -0.159 29.610 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 1.589 178.259 176.600 0.117 0.000 1.042 1014 K CA 0.452 56.796 56.287 0.096 0.000 0.987 1014 K CB -0.041 32.503 32.500 0.073 0.000 0.779 1014 K HN 0.133 nan 8.250 nan 0.000 0.484 1015 F N 1.033 120.990 119.950 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 0.081 0.000 1.075 1015 F CA 1.025 59.021 58.000 -0.007 0.000 1.380 1015 F CB 0.782 39.696 39.000 -0.143 0.000 1.093 1015 F HN 0.109 nan 8.300 nan 0.000 0.524 1016 G N 0.929 109.919 108.800 0.317 0.000 2.951 1016 G HA2 -0.058 3.902 3.960 0.000 0.000 0.508 1016 G HA3 -0.058 3.902 3.960 0.000 0.000 0.508 1016 G C 0.123 175.265 174.900 0.403 0.000 1.203 1016 G CA -0.226 45.012 45.100 0.229 0.000 1.209 1016 G HN 0.286 nan 8.290 nan 0.000 0.552 1017 L N 0.940 122.318 121.223 0.258 0.000 2.046 1017 L HA -0.087 4.253 4.340 0.000 0.000 0.208 1017 L C 2.674 179.570 176.870 0.044 0.000 1.077 1017 L CA 2.131 57.062 54.840 0.151 0.000 0.747 1017 L CB -0.198 41.904 42.059 0.072 0.000 0.896 1017 L HN 0.771 nan 8.230 nan 0.000 0.432 1018 E N 0.022 120.256 120.200 0.056 0.000 2.516 1018 E HA -0.129 4.221 4.350 0.000 0.000 0.199 1018 E C 1.401 178.029 176.600 0.047 0.000 1.069 1018 E CA 0.621 57.033 56.400 0.020 0.000 0.876 1018 E CB -0.277 29.432 29.700 0.016 0.000 0.843 1018 E HN 0.389 nan 8.360 nan 0.000 0.530 1019 K N 0.174 120.654 120.400 0.133 0.000 2.334 1019 K HA 0.171 4.491 4.320 0.000 0.000 0.195 1019 K C 1.939 178.663 176.600 0.207 0.000 1.045 1019 K CA -0.003 56.413 56.287 0.216 0.000 1.004 1019 K CB 0.181 32.896 32.500 0.358 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 -0.030 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 1.527 57.370 56.100 -0.429 0.000 0.968 1020 R CB 0.078 29.611 30.300 -1.277 0.000 0.861 1020 R HN 0.002 nan 8.270 nan 0.000 0.440 1021 Q N -0.053 119.658 119.800 -0.148 0.000 2.135 1021 Q HA -0.078 4.262 4.340 0.000 0.000 0.204 1021 Q C 1.719 177.699 176.000 -0.032 0.000 0.981 1021 Q CA 2.097 57.845 55.803 -0.091 0.000 0.856 1021 Q CB -0.625 28.070 28.738 -0.072 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 -0.016 3.944 3.960 0.000 0.000 0.217 1022 G HA3 -0.016 3.944 3.960 0.000 0.000 0.217 1022 G C 1.289 176.223 174.900 0.056 0.000 1.128 1022 G CA 0.654 45.776 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 -0.251 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 0.445 121.667 121.223 -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 -0.175 4.175 4.350 0.000 0.000 0.192 1025 E C 2.353 178.966 176.600 0.022 0.000 0.984 1025 E CA 0.680 57.084 56.400 0.006 0.000 0.806 1025 E CB -0.019 29.686 29.700 0.009 0.000 0.750 1025 E HN 0.450 nan 8.360 nan 0.000 0.458 1026 L N 0.632 121.873 121.223 0.031 0.000 2.156 1026 L HA -0.101 4.239 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 0.657 55.521 54.840 0.041 0.000 0.770 1026 L CB -0.250 41.839 42.059 0.051 0.000 0.914 1026 L HN 0.160 nan 8.230 nan 0.000 0.439 1027 I N 0.002 120.589 120.570 0.028 0.000 2.233 1027 I HA -0.276 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 1.255 62.564 61.300 0.014 0.000 1.380 1027 I CB -0.268 37.729 38.000 -0.004 0.000 1.067 1027 I HN 0.224 nan 8.210 nan 0.000 0.413 1028 K N 1.547 121.948 120.400 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 1.371 57.670 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 0.108 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 1.957 178.605 176.600 0.080 0.000 1.050 1029 K CA 1.349 57.678 56.287 0.070 0.000 0.938 1029 K CB -0.164 32.368 32.500 0.052 0.000 0.718 1029 K HN 0.301 nan 8.250 nan 0.000 0.442 1030 G N -0.165 108.682 108.800 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 1.335 176.294 174.900 0.099 0.000 1.140 1030 G CA 0.684 45.832 45.100 0.080 0.000 0.775 1030 G HN 0.438 nan 8.290 nan 0.000 0.545 1031 Y N 1.922 122.195 120.300 -0.045 0.000 2.200 1031 Y HA -0.108 4.442 4.550 0.000 0.000 0.290 1031 Y C 2.915 178.842 175.900 0.044 0.000 1.137 1031 Y CA 2.175 60.228 58.100 -0.078 0.000 1.163 1031 Y CB -0.334 37.994 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 4.155 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 1.788 63.862 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 0.400 120.221 119.800 0.036 0.000 2.224 1033 Q HA -0.098 4.242 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 0.915 56.781 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 -0.015 4.326 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 0.803 56.704 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 -0.607 120.592 121.223 -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 55.514 54.840 -0.097 0.000 0.799 1035 L CB -0.467 41.480 42.059 -0.186 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 1.066 178.294 177.584 -0.594 0.000 1.172 1036 A CA 0.662 52.509 52.037 -0.316 0.000 0.786 1036 A CB -0.493 18.270 19.000 -0.395 0.000 0.804 1036 A HN 0.419 nan 8.150 nan 0.000 0.479 1037 F N -1.195 118.707 119.950 -0.080 0.000 2.817 1037 F HA 0.299 4.826 4.527 0.000 0.000 0.319 1037 F C 0.764 176.506 175.800 -0.098 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 2.382 122.884 120.500 0.003 0.000 2.308 1038 R HA 0.231 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 -0.088 55.978 56.100 -0.057 0.000 1.022 1038 R CB 0.255 30.510 30.300 -0.075 0.000 1.091 1038 R HN 0.350 nan 8.270 nan 0.000 0.497 1039 Q N 3.941 123.685 119.800 -0.093 0.000 2.584 1039 Q HA 0.033 4.373 4.340 0.000 0.000 0.235 1039 Q C -1.222 174.708 176.000 -0.118 0.000 1.079 1039 Q CA -1.342 54.403 55.803 -0.098 0.000 0.977 1039 Q CB 0.393 29.064 28.738 -0.113 0.000 1.293 1039 Q HN 0.486 nan 8.270 nan 0.000 0.553 1040 P HA -0.186 nan 4.420 nan 0.000 0.219 1040 P C 0.555 177.795 177.300 -0.101 0.000 1.144 1040 P CA 1.052 64.113 63.100 -0.066 0.000 0.806 1040 P CB 0.086 31.767 31.700 -0.030 0.000 0.771 1047 F N 1.470 121.480 119.950 0.099 0.000 2.412 1047 F HA 0.363 4.890 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 58.866 58.000 0.177 0.000 1.196 1047 F CB 1.758 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 0.615 120.740 119.914 0.352 0.000 2.594 1048 V HA -0.230 3.890 4.120 0.000 0.000 0.253 1048 V C 1.659 177.845 176.094 0.153 0.000 1.069 1048 V CA 1.629 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 0.421 120.938 120.400 0.196 0.000 2.365 1049 K HA 0.049 4.369 4.320 0.000 0.000 0.199 1049 K C 1.407 178.065 176.600 0.097 0.000 1.045 1049 K CA 0.381 56.735 56.287 0.112 0.000 0.962 1049 K CB -0.037 32.505 32.500 0.071 0.000 0.759 1049 K HN 0.547 nan 8.250 nan 0.000 0.469 1050 R N 0.768 121.356 120.500 0.145 0.000 2.573 1050 R HA 0.396 4.736 4.340 0.000 0.000 0.272 1050 R C -0.831 175.528 176.300 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 31.373 30.300 0.162 0.000 1.112 1050 R HN 0.016 nan 8.270 nan 0.000 0.517 1051 A N 4.275 127.147 122.820 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 -1.242 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 -0.178 177.224 177.300 0.171 0.000 1.193 1052 P CA 0.270 63.395 63.100 0.041 0.000 0.765 1052 P CB 0.721 32.370 31.700 -0.085 0.000 0.823 1053 S N 1.421 117.212 115.700 0.153 0.000 2.508 1053 S HA 0.275 4.745 4.470 0.000 0.000 0.284 1053 S C 1.334 176.135 174.600 0.336 0.000 1.192 1053 S CA -0.411 57.929 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 0.395 nan 8.310 nan 0.000 0.493 1054 T N 3.878 118.653 114.554 0.369 0.000 2.812 1054 T HA -0.058 4.292 4.350 0.000 0.000 0.264 1054 T C 1.218 176.122 174.700 0.340 0.000 1.042 1054 T CA 1.119 63.453 62.100 0.391 0.000 1.140 1054 T CB -0.351 68.691 68.868 0.289 0.000 0.870 1054 T HN 0.853 nan 8.240 nan 0.000 0.445 1055 W N 1.491 122.871 121.300 0.133 0.000 2.379 1055 W HA 0.014 4.674 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 0.387 57.784 57.345 0.086 0.000 1.297 1055 W CB -0.555 28.863 29.460 -0.070 0.000 1.140 1055 W HN 0.099 nan 8.180 nan 0.000 0.507 1056 L N 0.799 122.262 121.223 0.400 0.000 2.012 1056 L HA -0.203 4.137 4.340 0.000 0.000 0.210 1056 L C 2.314 179.191 176.870 0.012 0.000 1.073 1056 L CA 2.831 57.790 54.840 0.199 0.000 0.748 1056 L CB -1.384 40.833 42.059 0.263 0.000 0.891 1056 L HN -0.031 nan 8.230 nan 0.000 0.431 1057 T N -0.236 114.352 114.554 0.056 0.000 2.788 1057 T HA -0.151 4.199 4.350 0.000 0.000 0.268 1057 T C 1.865 176.546 174.700 -0.031 0.000 1.044 1057 T CA 1.294 63.394 62.100 -0.000 0.000 1.139 1057 T CB -0.496 68.428 68.868 0.092 0.000 0.867 1057 T HN 0.529 nan 8.240 nan 0.000 0.454 1058 A N 0.173 122.995 122.820 0.002 0.000 1.969 1058 A HA -0.035 4.286 4.320 0.000 0.000 0.218 1058 A C 2.068 179.575 177.584 -0.129 0.000 1.169 1058 A CA 1.148 53.157 52.037 -0.047 0.000 0.635 1058 A CB -0.813 18.206 19.000 0.032 0.000 0.810 1058 A HN 0.581 nan 8.150 nan 0.000 0.445 1059 Y N 0.360 120.460 120.300 -0.333 0.000 2.314 1059 Y HA -0.083 4.467 4.550 0.000 0.000 0.293 1059 Y C 2.246 177.966 175.900 -0.299 0.000 1.129 1059 Y CA 1.410 59.272 58.100 -0.397 0.000 1.201 1059 Y CB -0.174 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 -0.824 118.925 119.914 -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 1.862 63.936 62.300 -0.378 0.000 1.038 1060 V CB -0.914 30.634 31.823 -0.459 0.000 0.651 1060 V HN 0.328 nan 8.190 nan 0.000 0.450 1061 V N -0.042 119.679 119.914 -0.323 0.000 2.407 1061 V HA -0.291 3.829 4.120 0.000 0.000 0.248 1061 V C 2.396 178.396 176.094 -0.155 0.000 1.055 1061 V CA 2.328 64.505 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 0.587 nan 8.190 nan 0.000 0.455 1062 K N 0.147 120.377 120.400 -0.284 0.000 2.026 1062 K HA -0.162 4.158 4.320 0.000 0.000 0.208 1062 K C 2.060 178.537 176.600 -0.205 0.000 1.048 1062 K CA 1.846 57.962 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 0.837 120.523 119.914 -0.381 0.000 2.323 1063 V HA -0.189 3.931 4.120 0.000 0.000 0.244 1063 V C 2.153 178.316 176.094 0.115 0.000 1.041 1063 V CA 1.519 63.718 62.300 -0.167 0.000 1.025 1063 V CB -0.598 31.054 31.823 -0.285 0.000 0.656 1063 V HN 0.210 nan 8.190 nan 0.000 0.451 1064 F N 1.158 121.040 119.950 -0.113 0.000 2.102 1064 F HA -0.153 4.374 4.527 0.000 0.000 0.298 1064 F C 2.731 178.513 175.800 -0.031 0.000 1.105 1064 F CA 1.720 59.702 58.000 -0.030 0.000 1.239 1064 F CB -1.117 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 0.026 115.817 115.700 0.151 0.000 2.419 1065 S HA -0.151 4.319 4.470 0.000 0.000 0.233 1065 S C 2.101 176.723 174.600 0.036 0.000 1.016 1065 S CA 0.874 59.116 58.200 0.069 0.000 0.974 1065 S CB -0.478 62.741 63.200 0.032 0.000 0.786 1065 S HN 0.374 nan 8.310 nan 0.000 0.492 1066 L N 0.540 121.784 121.223 0.036 0.000 2.270 1066 L HA 0.236 4.576 4.340 0.000 0.000 0.210 1066 L C 1.559 178.419 176.870 -0.017 0.000 1.104 1066 L CA 0.569 55.396 54.840 -0.022 0.000 0.804 1066 L CB -0.200 41.839 42.059 -0.034 0.000 0.937 1066 L HN 0.275 nan 8.230 nan 0.000 0.450 1067 A N -0.851 121.963 122.820 -0.010 0.000 2.684 1067 A HA 0.257 4.577 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 -0.045 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 -3.009 116.881 119.914 -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 2.028 64.299 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 0.236 118.924 118.700 -0.019 0.000 2.353 1069 N HA 0.295 5.035 4.740 0.000 0.000 0.185 1069 N C 1.571 177.064 175.510 -0.027 0.000 1.098 1069 N CA 0.385 53.426 53.050 -0.015 0.000 0.872 1069 N CB 0.144 38.640 38.487 0.014 0.000 0.970 1069 N HN 0.428 nan 8.380 nan 0.000 0.467 1070 L N 0.523 121.723 121.223 -0.037 0.000 2.145 1070 L HA 0.265 4.606 4.340 0.000 0.000 0.201 1070 L C 1.086 177.903 176.870 -0.089 0.000 1.075 1070 L CA 0.604 55.415 54.840 -0.047 0.000 0.773 1070 L CB -0.156 41.887 42.059 -0.027 0.000 0.936 1070 L HN 0.161 nan 8.230 nan 0.000 0.451 1071 I N -3.820 116.667 120.570 -0.137 0.000 3.516 1071 I HA 0.660 4.831 4.170 0.000 0.000 0.302 1071 I C -0.418 175.566 176.117 -0.222 0.000 1.143 1071 I CA -1.216 59.971 61.300 -0.187 0.000 1.003 1071 I CB 1.789 39.636 38.000 -0.256 0.000 1.347 1071 I HN -0.243 nan 8.210 nan 0.000 0.486 1072 A N 3.001 125.661 122.820 -0.266 0.000 2.650 1072 A HA 0.520 4.840 4.320 0.000 0.000 0.320 1072 A C -0.202 177.157 177.584 -0.376 0.000 1.466 1072 A CA -0.358 51.538 52.037 -0.236 0.000 1.099 1072 A CB -0.779 18.130 19.000 -0.152 0.000 1.136 1072 A HN 0.438 nan 8.150 nan 0.000 0.532 1073 I N 2.090 122.480 120.570 -0.301 0.000 2.396 1073 I HA 0.083 4.254 4.170 0.000 0.000 0.289 1073 I C 0.320 176.424 176.117 -0.020 0.000 1.056 1073 I CA -0.262 60.891 61.300 -0.244 0.000 1.365 1073 I CB 0.738 38.676 38.000 -0.104 0.000 1.407 1073 I HN 0.535 nan 8.210 nan 0.000 0.509 1074 D N 4.159 124.636 120.400 0.128 0.000 2.390 1074 D HA 0.092 4.732 4.640 0.000 0.000 0.249 1074 D C 0.988 177.371 176.300 0.139 0.000 1.144 1074 D CA 0.233 54.325 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 2.576 118.328 115.700 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 0.520 58.762 58.200 0.070 0.000 0.965 1075 S CB 0.014 63.242 63.200 0.046 0.000 0.798 1075 S HN 0.555 nan 8.310 nan 0.000 0.488 1076 Q N 0.782 120.624 119.800 0.069 0.000 2.084 1076 Q HA -0.019 4.321 4.340 0.000 0.000 0.202 1076 Q C 2.424 178.457 176.000 0.055 0.000 0.978 1076 Q CA 1.088 56.925 55.803 0.056 0.000 0.844 1076 Q CB -0.706 28.062 28.738 0.051 0.000 0.898 1076 Q HN 0.457 nan 8.270 nan 0.000 0.426 1077 V N 1.007 120.970 119.914 0.082 0.000 2.346 1077 V HA -0.195 3.925 4.120 0.000 0.000 0.244 1077 V C 2.306 178.419 176.094 0.031 0.000 1.037 1077 V CA 1.164 63.500 62.300 0.061 0.000 1.029 1077 V CB -0.646 31.252 31.823 0.124 0.000 0.663 1077 V HN 0.190 nan 8.190 nan 0.000 0.454 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 2.365 179.248 176.870 0.022 0.000 1.071 1078 L CA 2.262 57.133 54.840 0.051 0.000 0.745 1078 L CB -0.923 41.207 42.059 0.119 0.000 0.892 1078 L HN 0.370 nan 8.230 nan 0.000 0.431 1079 c N 0.091 118.715 118.600 0.041 0.000 2.432 1079 c HA 0.045 4.615 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 0.300 56.653 56.329 0.040 0.000 1.766 1079 c CB -1.999 40.535 42.510 0.040 0.000 1.924 1079 c HN 0.764 nan 8.230 nan 0.000 0.509 1080 G N 0.696 109.520 108.800 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 -0.035 122.804 122.820 0.032 0.000 1.930 1081 A HA 0.226 4.546 4.320 0.000 0.000 0.215 1081 A C 2.560 180.243 177.584 0.165 0.000 1.176 1081 A CA 1.453 53.531 52.037 0.067 0.000 0.632 1081 A CB -0.379 18.592 19.000 -0.049 0.000 0.819 1081 A HN 0.220 nan 8.150 nan 0.000 0.445 1082 V N 0.533 120.503 119.914 0.093 0.000 2.343 1082 V HA -0.262 3.858 4.120 0.000 0.000 0.247 1082 V C 2.513 178.680 176.094 0.123 0.000 1.051 1082 V CA 2.325 64.679 62.300 0.090 0.000 1.036 1082 V CB -0.645 31.205 31.823 0.046 0.000 0.654 1082 V HN 0.688 nan 8.190 nan 0.000 0.451 1083 K N -1.311 119.164 120.400 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 1.784 58.142 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 1.239 122.555 121.300 0.028 0.000 2.407 1084 W HA -0.064 4.596 4.660 0.000 0.000 0.305 1084 W C 1.384 177.942 176.519 0.064 0.000 1.196 1084 W CA 0.998 58.364 57.345 0.035 0.000 1.311 1084 W CB -0.228 29.247 29.460 0.025 0.000 1.135 1084 W HN -0.062 nan 8.180 nan 0.000 0.514 1085 L N 0.389 121.696 121.223 0.139 0.000 2.191 1085 L HA -0.229 4.111 4.340 0.000 0.000 0.212 1085 L C 2.231 179.132 176.870 0.052 0.000 1.103 1085 L CA 1.204 56.058 54.840 0.022 0.000 0.769 1085 L CB -0.650 41.533 42.059 0.206 0.000 0.908 1085 L HN 0.085 nan 8.230 nan 0.000 0.438 1086 I N -0.755 119.842 120.570 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 62.405 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 0.165 nan 8.210 nan 0.000 0.423 1087 L N -0.081 121.072 121.223 -0.117 0.000 2.509 1087 L HA 0.015 4.355 4.340 0.000 0.000 0.222 1087 L C 2.159 178.906 176.870 -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 0.236 nan 8.230 nan 0.000 0.456 1088 E N -0.033 119.951 120.200 -0.361 0.000 2.329 1088 E HA 0.101 4.451 4.350 0.000 0.000 0.189 1088 E C 0.634 176.978 176.600 -0.428 0.000 0.997 1088 E CA 0.314 56.436 56.400 -0.463 0.000 1.062 1088 E CB 0.212 29.378 29.700 -0.889 0.000 1.260 1088 E HN 0.045 nan 8.360 nan 0.000 0.490 1089 K N 2.045 122.121 120.400 -0.539 0.000 3.165 1089 K HA 0.216 4.536 4.320 0.000 0.000 0.259 1089 K C -0.197 176.232 176.600 -0.285 0.000 1.282 1089 K CA 0.009 56.100 56.287 -0.328 0.000 1.259 1089 K CB 0.106 32.437 32.500 -0.282 0.000 1.546 1089 K HN 0.173 nan 8.250 nan 0.000 0.384 1090 Q N 1.104 120.665 119.800 -0.398 0.000 2.269 1090 Q HA 0.209 4.549 4.340 0.000 0.000 0.263 1090 Q C -1.079 174.668 176.000 -0.421 0.000 0.983 1090 Q CA -0.494 54.928 55.803 -0.634 0.000 0.777 1090 Q CB 1.522 29.806 28.738 -0.756 0.000 1.273 1090 Q HN 0.094 nan 8.270 nan 0.000 0.440 1091 K N 3.606 123.766 120.400 -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 -1.506 54.615 56.287 -0.276 0.000 0.928 1091 K CB 0.504 32.849 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 0.300 177.530 177.300 -0.118 0.000 1.146 1092 P CA 1.352 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 1.461 177.685 176.300 -0.126 0.000 1.004 1093 D CA 0.923 54.866 54.000 -0.095 0.000 0.880 1093 D CB -0.844 39.910 40.800 -0.077 0.000 0.911 1093 D HN 0.245 nan 8.370 nan 0.000 0.528 1094 G N -0.662 107.999 108.800 -0.232 0.000 2.179 1094 G HA2 -0.219 3.742 3.960 0.000 0.000 0.220 1094 G HA3 -0.219 3.742 3.960 0.000 0.000 0.220 1094 G C 0.071 174.743 174.900 -0.379 0.000 0.990 1094 G CA 0.026 44.975 45.100 -0.251 0.000 0.646 1094 G HN 0.354 nan 8.290 nan 0.000 0.517 1095 V N 1.465 121.082 119.914 -0.495 0.000 2.614 1095 V HA 0.566 4.686 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 -0.113 61.902 62.300 -0.475 0.000 1.038 1095 V CB 0.799 32.210 31.823 -0.687 0.000 0.980 1095 V HN 0.207 nan 8.190 nan 0.000 0.481 1096 F N 3.329 123.203 119.950 -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 -0.047 0.000 1.117 1096 F CA -0.096 57.862 58.000 -0.070 0.000 1.104 1096 F CB 1.151 40.146 39.000 -0.008 0.000 1.122 1096 F HN 0.451 nan 8.300 nan 0.000 0.483 1097 Q N 2.602 122.449 119.800 0.077 0.000 2.282 1097 Q HA 0.288 4.628 4.340 0.000 0.000 0.260 1097 Q C -1.015 175.039 176.000 0.089 0.000 0.964 1097 Q CA -1.010 54.823 55.803 0.050 0.000 0.880 1097 Q CB 1.711 30.440 28.738 -0.016 0.000 1.286 1097 Q HN 0.610 nan 8.270 nan 0.000 0.445 1098 E N 2.461 122.715 120.200 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 -0.364 175.990 176.300 0.089 0.000 1.047 1099 D CA 0.455 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 1.652 124.541 122.820 0.115 0.000 2.943 1100 A HA 0.512 4.832 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 0.764 19.837 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 0.633 177.940 177.300 0.010 0.000 1.193 1101 P CA 0.148 63.255 63.100 0.011 0.000 0.765 1101 P CB 0.685 32.369 31.700 -0.027 0.000 0.823 1102 V N 2.182 122.089 119.914 -0.013 0.000 2.872 1102 V HA 0.017 4.137 4.120 0.000 0.000 0.307 1102 V C 1.559 177.637 176.094 -0.027 0.000 1.072 1102 V CA 0.153 62.458 62.300 0.009 0.000 1.148 1102 V CB -0.362 31.457 31.823 -0.006 0.000 0.954 1102 V HN 0.450 nan 8.190 nan 0.000 0.490 1103 I N 1.391 121.965 120.570 0.008 0.000 2.142 1103 I HA -0.114 4.056 4.170 0.000 0.000 0.240 1103 I C 1.401 177.434 176.117 -0.140 0.000 1.078 1103 I CA 1.212 62.471 61.300 -0.067 0.000 1.343 1103 I CB -0.543 37.410 38.000 -0.077 0.000 1.046 1103 I HN 0.716 nan 8.210 nan 0.000 0.405 1104 H N 3.959 123.006 119.070 -0.039 0.000 3.330 1104 H HA 0.063 4.620 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 56.096 56.048 -0.069 0.000 1.540 1104 H CB 0.280 30.002 29.762 -0.067 0.000 1.698 1104 H HN 0.364 nan 8.280 nan 0.000 0.516 1105 Q N 1.961 121.716 119.800 -0.076 0.000 2.387 1105 Q HA -0.062 4.278 4.340 0.000 0.000 0.211 1105 Q C 1.341 177.249 176.000 -0.153 0.000 0.952 1105 Q CA 0.310 56.018 55.803 -0.157 0.000 0.957 1105 Q CB 0.320 28.987 28.738 -0.120 0.000 1.002 1105 Q HN 0.744 nan 8.270 nan 0.000 0.502 1106 E N -0.712 119.402 120.200 -0.143 0.000 2.511 1106 E HA -0.041 4.309 4.350 0.000 0.000 0.209 1106 E C 1.459 177.928 176.600 -0.219 0.000 0.986 1106 E CA 0.133 56.421 56.400 -0.188 0.000 0.974 1106 E CB -0.116 29.358 29.700 -0.377 0.000 1.030 1106 E HN 0.399 nan 8.360 nan 0.000 0.490 1107 M N 0.174 119.631 119.600 -0.239 0.000 2.509 1107 M HA 0.288 4.768 4.480 0.000 0.000 0.250 1107 M C 2.042 178.174 176.300 -0.279 0.000 1.132 1107 M CA 0.484 55.661 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 -1.467 118.760 120.570 -0.571 0.000 2.761 1108 I HA 0.407 4.577 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 0.488 61.303 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 1.684 110.440 108.800 -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 0.826 175.676 174.900 -0.082 0.000 1.146 1109 G CA 0.094 45.286 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 0.278 4.238 3.960 0.000 0.000 0.210 1110 G HA3 0.278 4.238 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 1.378 45.782 45.100 -1.159 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 4.622 4.340 0.000 0.000 0.226 1111 L C 2.520 179.203 176.870 -0.311 0.000 1.137 1111 L CA 0.435 55.121 54.840 -0.258 0.000 0.863 1111 L CB -0.152 41.761 42.059 -0.243 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 -0.071 4.270 4.340 0.000 0.000 0.223 1112 R C 0.823 176.970 176.300 -0.255 0.000 1.088 1112 R CA 0.256 56.181 56.100 -0.293 0.000 0.985 1112 R CB 0.013 30.171 30.300 -0.237 0.000 0.880 1112 R HN 0.251 nan 8.270 nan 0.000 0.451 1113 N N 1.251 119.751 118.700 -0.334 0.000 2.438 1113 N HA -0.043 4.697 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 0.441 53.346 53.050 -0.243 0.000 0.930 1113 N CB 0.468 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 0.336 53.347 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 2.485 121.156 118.700 -0.048 0.000 2.434 1115 N HA -0.011 4.729 4.740 0.000 0.000 0.268 1115 N C -0.572 174.935 175.510 -0.004 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 0.260 120.469 120.200 0.015 0.000 2.240 1116 E HA -0.276 4.074 4.350 0.000 0.000 0.194 1116 E C 0.160 176.794 176.600 0.057 0.000 1.385 1116 E CA 0.414 56.839 56.400 0.042 0.000 0.686 1116 E CB -0.829 28.895 29.700 0.039 0.000 1.125 1116 E HN 0.716 nan 8.360 nan 0.000 0.359 1117 K N -0.665 119.764 120.400 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 56.758 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 0.570 121.040 120.400 0.116 0.000 2.347 1118 D HA 0.026 4.666 4.640 0.000 0.000 0.213 1118 D C 1.546 178.001 176.300 0.258 0.000 0.985 1118 D CA 0.738 54.834 54.000 0.158 0.000 0.879 1118 D CB 0.269 41.178 40.800 0.181 0.000 0.919 1118 D HN 0.227 nan 8.370 nan 0.000 0.526 1119 M N -0.297 119.438 119.600 0.224 0.000 2.691 1119 M HA 0.247 4.727 4.480 0.000 0.000 0.261 1119 M C 2.137 178.547 176.300 0.183 0.000 1.227 1119 M CA 0.327 55.767 55.300 0.234 0.000 1.197 1119 M CB -0.648 32.041 32.600 0.149 0.000 1.294 1119 M HN -0.052 nan 8.290 nan 0.000 0.508 1120 A N 0.848 123.759 122.820 0.152 0.000 1.877 1120 A HA -0.158 4.162 4.320 0.000 0.000 0.216 1120 A C 2.156 179.858 177.584 0.196 0.000 1.186 1120 A CA 1.469 53.601 52.037 0.157 0.000 0.620 1120 A CB -0.955 18.150 19.000 0.176 0.000 0.822 1120 A HN 0.378 nan 8.150 nan 0.000 0.443 1121 L N -0.179 121.157 121.223 0.188 0.000 2.017 1121 L HA -0.103 4.237 4.340 0.000 0.000 0.208 1121 L C 2.443 179.452 176.870 0.230 0.000 1.073 1121 L CA 2.851 57.825 54.840 0.222 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 -0.088 114.604 114.554 0.229 0.000 2.788 1122 T HA -0.145 4.205 4.350 0.000 0.000 0.268 1122 T C 1.860 176.657 174.700 0.161 0.000 1.044 1122 T CA 1.299 63.554 62.100 0.259 0.000 1.139 1122 T CB -0.495 68.564 68.868 0.319 0.000 0.867 1122 T HN 0.522 nan 8.240 nan 0.000 0.454 1123 A N 0.484 123.403 122.820 0.167 0.000 1.968 1123 A HA 0.097 4.417 4.320 0.000 0.000 0.217 1123 A C 1.962 179.600 177.584 0.089 0.000 1.169 1123 A CA 0.850 52.952 52.037 0.108 0.000 0.638 1123 A CB -0.774 18.279 19.000 0.088 0.000 0.812 1123 A HN 0.485 nan 8.150 nan 0.000 0.446 1124 F N 0.611 120.564 119.950 0.005 0.000 2.084 1124 F HA -0.121 4.406 4.527 0.000 0.000 0.296 1124 F C 2.214 177.979 175.800 -0.058 0.000 1.111 1124 F CA 1.982 59.998 58.000 0.026 0.000 1.224 1124 F CB -0.160 38.911 39.000 0.117 0.000 0.991 1124 F HN 0.020 nan 8.300 nan 0.000 0.471 1125 V N 0.490 120.404 119.914 0.000 0.000 2.407 1125 V HA -0.266 3.854 4.120 0.000 0.000 0.248 1125 V C 2.293 178.148 176.094 -0.400 0.000 1.055 1125 V CA 1.569 63.679 62.300 -0.316 0.000 1.049 1125 V CB -0.821 30.563 31.823 -0.730 0.000 0.662 1125 V HN 0.409 nan 8.190 nan 0.000 0.455 1126 L N 0.073 121.120 121.223 -0.293 0.000 2.046 1126 L HA -0.120 4.221 4.340 0.000 0.000 0.208 1126 L C 2.167 178.941 176.870 -0.159 0.000 1.077 1126 L CA 1.857 56.592 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 -1.229 119.245 120.570 -0.161 0.000 2.226 1127 I HA -0.290 3.880 4.170 0.000 0.000 0.245 1127 I C 2.263 178.290 176.117 -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 0.757 116.315 115.700 -0.236 0.000 2.423 1128 S HA -0.019 4.451 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 0.991 59.063 58.200 -0.214 0.000 0.965 1128 S CB -0.175 62.849 63.200 -0.294 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 -0.017 4.323 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 0.858 55.647 54.840 -0.084 0.000 0.793 1129 L CB -0.389 41.628 42.059 -0.070 0.000 0.927 1129 L HN 0.333 nan 8.230 nan 0.000 0.446 1130 Q N -0.192 119.560 119.800 -0.080 0.000 2.269 1130 Q HA -0.106 4.235 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 0.752 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 0.525 120.694 120.200 -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 0.511 56.898 56.400 -0.022 0.000 0.864 1131 E CB 0.261 29.957 29.700 -0.006 0.000 0.813 1131 E HN 0.202 nan 8.360 nan 0.000 0.514 1132 A N 0.897 123.704 122.820 -0.022 0.000 2.545 1132 A HA 0.118 4.438 4.320 0.000 0.000 0.277 1132 A C 1.495 179.077 177.584 -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 0.503 120.896 120.400 -0.011 0.000 1.967 1133 K HA -0.164 4.156 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 1.858 58.140 56.287 -0.009 0.000 0.942 1133 K CB -0.141 32.349 32.500 -0.017 0.000 0.726 1133 K HN 0.302 nan 8.250 nan 0.000 0.440 1134 D N 0.772 121.172 120.400 -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 55.200 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 -0.472 120.104 120.570 0.010 0.000 2.500 1135 I HA -0.118 4.052 4.170 0.000 0.000 0.252 1135 I C 0.696 176.824 176.117 0.018 0.000 1.142 1135 I CA 0.546 61.855 61.300 0.016 0.000 1.451 1135 I CB 0.160 38.173 38.000 0.022 0.000 1.093 1135 I HN -0.044 nan 8.210 nan 0.000 0.430 1136 c N 1.135 119.745 118.600 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 0.356 120.563 120.200 0.011 0.000 2.332 1137 E HA -0.050 4.300 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 0.380 56.785 56.400 0.009 0.000 0.979 1137 E CB 0.450 30.152 29.700 0.005 0.000 0.969 1137 E HN 0.492 nan 8.360 nan 0.000 0.495 1138 E N 1.078 121.285 120.200 0.010 0.000 2.318 1138 E HA -0.053 4.297 4.350 0.000 0.000 0.193 1138 E C 1.624 178.232 176.600 0.013 0.000 0.998 1138 E CA 0.933 57.339 56.400 0.010 0.000 0.859 1138 E CB 0.297 30.003 29.700 0.009 0.000 0.812 1138 E HN 0.136 nan 8.360 nan 0.000 0.492 1139 Q N -0.852 118.959 119.800 0.017 0.000 2.376 1139 Q HA 0.175 4.515 4.340 0.000 0.000 0.206 1139 Q C -0.414 175.600 176.000 0.023 0.000 0.921 1139 Q CA 0.325 56.140 55.803 0.021 0.000 0.911 1139 Q CB 1.468 30.221 28.738 0.025 0.000 1.032 1139 Q HN 0.014 nan 8.270 nan 0.000 0.510 1140 V N 1.553 121.480 119.914 0.022 0.000 2.409 1140 V HA 0.151 4.271 4.120 0.000 0.000 0.290 1140 V C -0.097 176.007 176.094 0.018 0.000 1.017 1140 V CA -0.465 61.849 62.300 0.024 0.000 0.841 1140 V CB 1.446 33.287 31.823 0.030 0.000 1.003 1140 V HN 0.253 nan 8.190 nan 0.000 0.426 1141 N N 1.932 120.641 118.700 0.015 0.000 2.392 1141 N HA -0.076 4.665 4.740 0.000 0.000 0.177 1141 N C 1.577 177.092 175.510 0.008 0.000 1.066 1141 N CA 0.744 53.800 53.050 0.010 0.000 0.895 1141 N CB 0.317 38.809 38.487 0.008 0.000 0.988 1141 N HN 0.704 nan 8.380 nan 0.000 0.457 1142 S N 0.255 115.961 115.700 0.011 0.000 2.631 1142 S HA 0.079 4.549 4.470 0.000 0.000 0.217 1142 S C 1.545 176.154 174.600 0.014 0.000 0.958 1142 S CA -0.170 58.035 58.200 0.007 0.000 0.920 1142 S CB -0.003 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 1.419 56.273 54.840 0.022 0.000 0.745 1143 L CB -1.280 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 1.598 178.900 177.300 0.004 0.000 1.153 1144 P CA 1.903 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 -0.938 107.864 108.800 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 1.045 46.144 45.100 -0.002 0.000 0.776 1145 G HN 0.319 nan 8.290 nan 0.000 0.542 1146 S N 0.014 115.721 115.700 0.012 0.000 2.387 1146 S HA 0.008 4.478 4.470 0.000 0.000 0.226 1146 S C 2.406 177.044 174.600 0.062 0.000 1.026 1146 S CA 0.703 58.921 58.200 0.030 0.000 0.972 1146 S CB -0.259 62.977 63.200 0.060 0.000 0.814 1146 S HN 0.360 nan 8.310 nan 0.000 0.477 1147 I N 1.197 121.796 120.570 0.049 0.000 2.208 1147 I HA -0.183 3.987 4.170 0.000 0.000 0.245 1147 I C 2.520 178.656 176.117 0.032 0.000 1.097 1147 I CA 1.573 62.897 61.300 0.040 0.000 1.363 1147 I CB -0.825 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 0.470 115.035 114.554 0.019 0.000 2.777 1148 T HA -0.123 4.227 4.350 0.000 0.000 0.266 1148 T C 1.985 176.701 174.700 0.027 0.000 1.040 1148 T CA 0.913 63.020 62.100 0.013 0.000 1.141 1148 T CB -0.071 68.799 68.868 0.003 0.000 0.868 1148 T HN 0.142 nan 8.240 nan 0.000 0.444 1149 K N 1.639 122.055 120.400 0.026 0.000 2.009 1149 K HA 0.042 4.362 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 1.490 57.793 56.287 0.027 0.000 0.929 1149 K CB -0.934 31.557 32.500 -0.016 0.000 0.714 1149 K HN 0.364 nan 8.250 nan 0.000 0.440 1150 A N 0.703 123.582 122.820 0.098 0.000 1.978 1150 A HA -0.091 4.229 4.320 0.000 0.000 0.220 1150 A C 2.407 180.093 177.584 0.170 0.000 1.170 1150 A CA 2.100 54.245 52.037 0.180 0.000 0.636 1150 A CB -0.890 18.285 19.000 0.291 0.000 0.810 1150 A HN 0.418 nan 8.150 nan 0.000 0.448 1151 G N -0.572 108.288 108.800 0.100 0.000 2.448 1151 G HA2 -0.107 3.853 3.960 0.000 0.000 0.218 1151 G HA3 -0.107 3.853 3.960 0.000 0.000 0.218 1151 G C 1.027 175.964 174.900 0.062 0.000 1.135 1151 G CA 1.037 46.172 45.100 0.059 0.000 0.784 1151 G HN 0.452 nan 8.290 nan 0.000 0.543 1152 D N 0.192 120.639 120.400 0.079 0.000 2.097 1152 D HA -0.091 4.549 4.640 0.000 0.000 0.197 1152 D C 1.884 178.248 176.300 0.108 0.000 0.984 1152 D CA 0.431 54.474 54.000 0.071 0.000 0.826 1152 D CB -0.388 40.453 40.800 0.068 0.000 0.973 1152 D HN 0.292 nan 8.370 nan 0.000 0.460 1153 F N 1.231 121.194 119.950 0.023 0.000 2.113 1153 F HA -0.071 4.456 4.527 0.000 0.000 0.297 1153 F C 2.043 177.877 175.800 0.056 0.000 1.103 1153 F CA 1.100 59.120 58.000 0.034 0.000 1.248 1153 F CB -0.191 38.830 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 4.163 4.340 0.000 0.000 0.209 1154 L C 2.458 179.350 176.870 0.035 0.000 1.094 1154 L CA 1.739 56.623 54.840 0.075 0.000 0.763 1154 L CB -0.857 41.302 42.059 0.167 0.000 0.908 1154 L HN 0.258 nan 8.230 nan 0.000 0.437 1155 E N 0.618 120.818 120.200 -0.000 0.000 2.106 1155 E HA -0.202 4.148 4.350 0.000 0.000 0.192 1155 E C 2.215 178.802 176.600 -0.023 0.000 0.984 1155 E CA 1.084 57.465 56.400 -0.031 0.000 0.806 1155 E CB 0.080 29.749 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 -0.065 4.255 4.320 0.000 0.000 0.217 1156 A C 1.342 178.857 177.584 -0.116 0.000 1.169 1156 A CA 0.981 52.965 52.037 -0.088 0.000 0.638 1156 A CB -0.047 18.890 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 0.173 175.640 175.510 -0.072 0.000 1.158 1157 N CA -0.092 52.835 53.050 -0.205 0.000 0.878 1157 N CB 0.065 38.290 38.487 -0.437 0.000 1.138 1157 N HN 0.600 nan 8.380 nan 0.000 0.509 1158 Y N 0.626 120.863 120.300 -0.105 0.000 2.436 1158 Y HA 0.167 4.717 4.550 0.000 0.000 0.288 1158 Y C 1.763 177.652 175.900 -0.019 0.000 1.112 1158 Y CA 0.824 58.896 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 0.007 119.664 119.600 0.095 0.000 2.619 1159 M HA -0.027 4.453 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 1.014 56.340 55.300 0.044 0.000 1.086 1159 M CB -1.092 31.542 32.600 0.057 0.000 1.465 1159 M HN 0.342 nan 8.290 nan 0.000 0.506 1160 N N 0.896 119.564 118.700 -0.053 0.000 2.671 1160 N HA 0.361 5.101 4.740 0.000 0.000 0.303 1160 N C -0.900 174.565 175.510 -0.074 0.000 1.351 1160 N CA -0.123 52.894 53.050 -0.055 0.000 0.991 1160 N CB 0.662 39.119 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 -0.103 0.000 2.362 1161 L HA 0.392 4.732 4.340 0.000 0.000 0.271 1161 L C 0.593 177.422 176.870 -0.069 0.000 1.002 1161 L CA -0.667 54.110 54.840 -0.105 0.000 0.818 1161 L CB 2.260 44.200 42.059 -0.198 0.000 1.298 1161 L HN 0.083 nan 8.230 nan 0.000 0.420 1162 Q N 0.770 120.547 119.800 -0.039 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 29.329 28.738 -0.014 0.000 1.172 1162 Q HN 0.518 nan 8.270 nan 0.000 0.616 1163 R N 1.153 121.663 120.500 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 0.056 0.000 1.037 1163 R CB 0.453 30.798 30.300 0.076 0.000 0.951 1163 R HN 0.057 nan 8.270 nan 0.000 0.418 1164 S N 2.112 117.886 115.700 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 59.238 58.200 0.198 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 2.649 123.008 120.300 0.098 0.000 2.163 1165 Y HA -0.170 4.380 4.550 0.000 0.000 0.288 1165 Y C 2.515 178.433 175.900 0.029 0.000 1.136 1165 Y CA 1.751 59.894 58.100 0.072 0.000 1.147 1165 Y CB -0.800 37.684 38.460 0.040 0.000 0.987 1165 Y HN 0.159 nan 8.280 nan 0.000 0.509 1166 T N -0.333 114.296 114.554 0.124 0.000 2.746 1166 T HA -0.166 4.184 4.350 0.000 0.000 0.267 1166 T C 2.012 176.678 174.700 -0.056 0.000 1.039 1166 T CA 1.644 63.755 62.100 0.018 0.000 1.142 1166 T CB -0.692 68.205 68.868 0.048 0.000 0.866 1166 T HN 0.206 nan 8.240 nan 0.000 0.444 1167 V N 1.585 121.479 119.914 -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 -0.034 0.000 1.049 1167 V CB -1.154 30.692 31.823 0.037 0.000 0.662 1167 V HN 0.527 nan 8.190 nan 0.000 0.455 1168 A N -0.182 122.679 122.820 0.068 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 1.735 53.795 52.037 0.038 0.000 0.611 1168 A CB -0.520 18.353 19.000 -0.212 0.000 0.832 1168 A HN 0.461 nan 8.150 nan 0.000 0.442 1169 I N -0.682 119.728 120.570 -0.267 0.000 2.454 1169 I HA -0.194 3.976 4.170 0.000 0.000 0.254 1169 I C 2.357 178.425 176.117 -0.083 0.000 1.156 1169 I CA 1.222 62.287 61.300 -0.392 0.000 1.433 1169 I CB -0.027 37.541 38.000 -0.720 0.000 1.082 1169 I HN 0.323 nan 8.210 nan 0.000 0.432 1170 A N 0.025 122.858 122.820 0.023 0.000 2.030 1170 A HA 0.118 4.438 4.320 0.000 0.000 0.215 1170 A C 2.263 179.956 177.584 0.181 0.000 1.164 1170 A CA 0.898 53.022 52.037 0.145 0.000 0.697 1170 A CB -0.966 18.169 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 -0.241 3.719 3.960 0.000 0.000 0.217 1171 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 1171 G C 1.489 176.265 174.900 -0.207 0.000 1.150 1171 G CA 1.255 46.295 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 0.575 58.598 58.100 -0.128 0.000 1.226 1172 Y CB -0.162 38.305 38.460 0.010 0.000 1.000 1172 Y HN 0.220 nan 8.280 nan 0.000 0.549 1173 A N -0.372 122.361 122.820 -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 1.344 53.262 52.037 -0.198 0.000 0.670 1173 A CB -0.658 18.308 19.000 -0.055 0.000 0.804 1173 A HN 0.517 nan 8.150 nan 0.000 0.453 1174 L N -1.832 119.274 121.223 -0.194 0.000 2.515 1174 L HA 0.143 4.483 4.340 0.000 0.000 0.223 1174 L C 2.755 179.488 176.870 -0.228 0.000 1.079 1174 L CA 0.656 55.375 54.840 -0.200 0.000 0.857 1174 L CB -0.215 41.700 42.059 -0.240 0.000 1.050 1174 L HN 0.336 nan 8.230 nan 0.000 0.476 1175 A N -0.046 122.617 122.820 -0.262 0.000 1.969 1175 A HA -0.190 4.130 4.320 0.000 0.000 0.218 1175 A C 2.165 179.623 177.584 -0.209 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 -0.215 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 4.258 4.340 0.000 0.000 0.203 1176 Q C 1.928 177.832 176.000 -0.160 0.000 0.976 1176 Q CA 1.654 57.307 55.803 -0.250 0.000 0.858 1176 Q CB -0.251 28.276 28.738 -0.351 0.000 0.907 1176 Q HN 0.751 nan 8.270 nan 0.000 0.433 1177 M N -1.625 117.884 119.600 -0.152 0.000 2.514 1177 M HA 0.148 4.628 4.480 0.000 0.000 0.258 1177 M C 1.018 177.260 176.300 -0.096 0.000 1.119 1177 M CA 0.805 56.041 55.300 -0.107 0.000 1.111 1177 M CB 0.629 33.171 32.600 -0.096 0.000 1.390 1177 M HN 0.339 nan 8.290 nan 0.000 0.475 1178 G N 1.829 110.560 108.800 -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 -0.189 44.850 45.100 -0.102 0.000 0.693 1178 G HN 0.509 nan 8.290 nan 0.000 0.515 1179 R N -0.752 119.671 120.500 -0.128 0.000 2.893 1179 R HA 0.418 4.758 4.340 0.000 0.000 0.317 1179 R C 0.171 176.361 176.300 -0.184 0.000 1.239 1179 R CA -0.355 55.667 56.100 -0.130 0.000 1.128 1179 R CB 0.345 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 1.161 122.266 121.223 -0.196 0.000 2.679 1180 L HA 0.337 4.678 4.340 0.000 0.000 0.238 1180 L C -0.757 176.006 176.870 -0.179 0.000 1.330 1180 L CA -0.100 54.586 54.840 -0.256 0.000 0.935 1180 L CB 0.063 41.933 42.059 -0.316 0.000 1.243 1180 L HN -0.025 nan 8.230 nan 0.000 0.484 1181 K N -0.001 120.316 120.400 -0.138 0.000 2.246 1181 K HA 0.893 5.213 4.320 0.000 0.000 0.239 1181 K C 0.570 177.131 176.600 -0.066 0.000 1.089 1181 K CA -0.681 55.554 56.287 -0.086 0.000 0.892 1181 K CB 0.787 33.247 32.500 -0.067 0.000 1.334 1181 K HN 0.281 nan 8.250 nan 0.000 0.507 1182 G N 1.096 109.873 108.800 -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 0.270 45.357 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 31.641 31.700 0.033 0.000 0.786 1184 L N -1.073 120.170 121.223 0.032 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 1.374 56.227 54.840 0.021 0.000 0.752 1184 L CB -1.844 40.062 42.059 -0.256 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 -0.007 0.000 2.093 1185 L HA -0.158 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 41.230 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 0.082 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 1.688 54.779 53.050 0.068 0.000 0.852 1186 N CB -0.150 38.361 38.487 0.040 0.000 0.998 1186 N HN 0.435 nan 8.380 nan 0.000 0.424 1187 K N -0.772 119.727 120.400 0.165 0.000 2.026 1187 K HA -0.170 4.150 4.320 0.000 0.000 0.208 1187 K C 2.054 178.799 176.600 0.242 0.000 1.048 1187 K CA 1.243 57.640 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 1.727 121.820 119.950 0.239 0.000 2.161 1188 F HA -0.187 4.340 4.527 0.000 0.000 0.300 1188 F C 1.599 177.595 175.800 0.327 0.000 1.089 1188 F CA 1.419 59.604 58.000 0.309 0.000 1.282 1188 F CB -0.055 39.104 39.000 0.264 0.000 1.010 1188 F HN -0.002 nan 8.300 nan 0.000 0.485 1189 L N -0.338 120.956 121.223 0.118 0.000 2.072 1189 L HA -0.138 4.202 4.340 0.000 0.000 0.205 1189 L C 2.531 179.272 176.870 -0.214 0.000 1.079 1189 L CA 1.622 56.368 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 -5.092 109.397 114.554 -0.108 0.000 3.055 1190 T HA -0.084 4.266 4.350 0.000 0.000 0.265 1190 T C 1.702 176.299 174.700 -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 2.333 116.780 114.554 -0.178 0.000 2.821 1191 T HA 0.262 4.612 4.350 0.000 0.000 0.267 1191 T C 1.204 175.574 174.700 -0.550 0.000 1.046 1191 T CA 0.781 62.748 62.100 -0.222 0.000 1.139 1191 T CB -0.630 68.231 68.868 -0.012 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 -1.400 0.000 0.761 1192 A CB -0.057 17.823 19.000 -1.867 0.000 1.004 1192 A HN 0.363 nan 8.150 nan 0.000 0.499 1193 K N 2.105 122.164 120.400 -0.568 0.000 2.258 1193 K HA 0.267 4.587 4.320 0.000 0.000 0.284 1193 K C -0.551 175.856 176.600 -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 -0.263 0.000 1.046 1193 K HN 0.737 nan 8.250 nan 0.000 0.474 1194 D N 3.107 123.377 120.400 -0.218 0.000 3.077 1194 D HA -0.200 4.440 4.640 0.000 0.000 0.217 1194 D C -0.885 175.290 176.300 -0.208 0.000 1.162 1194 D CA 1.227 55.123 54.000 -0.174 0.000 0.943 1194 D CB -0.787 39.924 40.800 -0.149 0.000 1.122 1194 D HN 0.867 nan 8.370 nan 0.000 0.413 1195 K N -1.101 119.148 120.400 -0.251 0.000 3.257 1195 K HA -0.283 4.038 4.320 0.000 0.000 0.270 1195 K C 0.459 176.803 176.600 -0.428 0.000 0.984 1195 K CA 1.276 57.431 56.287 -0.221 0.000 0.739 1195 K CB -2.280 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 -1.013 117.419 118.700 -0.447 0.000 1.872 1196 N HA -0.026 4.715 4.740 0.000 0.000 0.223 1196 N C -0.527 174.658 175.510 -0.543 0.000 1.424 1196 N CA -0.698 52.131 53.050 -0.368 0.000 0.710 1196 N CB 0.626 38.974 38.487 -0.233 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 0.616 29.866 30.300 -1.750 0.000 1.259 1197 R HN 0.043 nan 8.270 nan 0.000 0.453 1198 W N 3.869 124.944 121.300 -0.374 0.000 2.296 1198 W HA 0.218 4.878 4.660 0.000 0.000 0.333 1198 W C -0.324 176.126 176.519 -0.115 0.000 0.931 1198 W CA -0.261 56.965 57.345 -0.198 0.000 1.538 1198 W CB 1.237 30.624 29.460 -0.121 0.000 1.417 1198 W HN 0.714 nan 8.180 nan 0.000 0.380 1199 E N 1.043 121.233 120.200 -0.018 0.000 2.222 1199 E HA 0.534 4.884 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 0.043 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 1.362 121.819 120.400 0.094 0.000 2.819 1200 D HA 0.241 4.882 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 0.074 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 0.189 nan 4.420 nan 0.000 0.250 1201 P C 0.065 177.396 177.300 0.051 0.000 1.198 1201 P CA 0.397 63.521 63.100 0.039 0.000 1.118 1201 P CB 0.207 31.921 31.700 0.022 0.000 1.208 1202 G N 2.668 111.509 108.800 0.068 0.000 2.498 1202 G HA2 0.097 4.057 3.960 0.000 0.000 0.181 1202 G HA3 0.097 4.057 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 44.392 45.100 0.088 0.000 0.992 1202 G HN 0.270 nan 8.290 nan 0.000 0.490 1203 K N 0.497 120.959 120.400 0.104 0.000 2.276 1203 K HA 0.241 4.561 4.320 0.000 0.000 0.259 1203 K C 1.069 177.637 176.600 -0.052 0.000 1.001 1203 K CA -0.046 56.212 56.287 -0.048 0.000 0.927 1203 K CB 1.076 33.393 32.500 -0.306 0.000 0.969 1203 K HN 0.511 nan 8.250 nan 0.000 0.490 1204 Q N 0.832 120.576 119.800 -0.094 0.000 2.269 1204 Q HA -0.010 4.330 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 0.713 56.488 55.803 -0.047 0.000 0.877 1204 Q CB 0.083 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 -0.341 120.721 121.223 -0.268 0.000 2.141 1205 L HA -0.170 4.170 4.340 0.000 0.000 0.209 1205 L C 1.742 178.528 176.870 -0.141 0.000 1.094 1205 L CA 0.999 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 0.377 58.490 58.100 0.022 0.000 1.201 1206 Y CB -0.772 37.617 38.460 -0.119 0.000 0.999 1206 Y HN 0.240 nan 8.280 nan 0.000 0.541 1207 N N -0.189 118.674 118.700 0.273 0.000 2.171 1207 N HA -0.118 4.622 4.740 0.000 0.000 0.184 1207 N C 2.028 177.728 175.510 0.318 0.000 1.021 1207 N CA 1.253 54.476 53.050 0.289 0.000 0.854 1207 N CB -0.760 37.879 38.487 0.254 0.000 0.994 1207 N HN 0.157 nan 8.380 nan 0.000 0.426 1208 V N 1.515 121.571 119.914 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 0.205 0.000 1.051 1208 V CA 1.655 64.070 62.300 0.192 0.000 1.036 1208 V CB -0.493 31.259 31.823 -0.120 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 4.153 4.350 0.000 0.000 0.191 1209 E C 2.252 179.134 176.600 0.469 0.000 0.985 1209 E CA 1.258 57.891 56.400 0.388 0.000 0.801 1209 E CB -0.218 29.808 29.700 0.543 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 0.465 0.000 1.902 1210 A HA -0.162 4.158 4.320 0.000 0.000 0.217 1210 A C 2.358 180.049 177.584 0.178 0.000 1.181 1210 A CA 2.021 54.240 52.037 0.304 0.000 0.623 1210 A CB -0.906 18.331 19.000 0.394 0.000 0.818 1210 A HN 0.347 nan 8.150 nan 0.000 0.443 1211 T N -0.048 114.640 114.554 0.222 0.000 2.867 1211 T HA -0.071 4.279 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 1.459 63.662 62.100 0.171 0.000 1.136 1211 T CB -0.228 68.800 68.868 0.267 0.000 0.874 1211 T HN 0.483 nan 8.240 nan 0.000 0.466 1212 S N 0.652 116.400 115.700 0.080 0.000 2.356 1212 S HA -0.069 4.401 4.470 0.000 0.000 0.223 1212 S C 1.752 176.241 174.600 -0.184 0.000 1.032 1212 S CA 1.041 59.207 58.200 -0.056 0.000 1.005 1212 S CB -0.508 62.639 63.200 -0.089 0.000 0.867 1212 S HN 0.543 nan 8.310 nan 0.000 0.449 1213 Y N 1.739 121.957 120.300 -0.136 0.000 2.224 1213 Y HA -0.098 4.453 4.550 0.000 0.000 0.289 1213 Y C 2.628 178.378 175.900 -0.250 0.000 1.146 1213 Y CA 0.767 58.725 58.100 -0.235 0.000 1.182 1213 Y CB -0.609 37.767 38.460 -0.141 0.000 0.983 1213 Y HN 0.277 nan 8.280 nan 0.000 0.524 1214 A N -0.403 122.340 122.820 -0.129 0.000 1.930 1214 A HA -0.158 4.162 4.320 0.000 0.000 0.217 1214 A C 2.133 179.645 177.584 -0.121 0.000 1.175 1214 A CA 1.475 53.348 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 -0.093 121.062 121.223 -0.113 0.000 2.017 1215 L HA -0.084 4.256 4.340 0.000 0.000 0.208 1215 L C 2.258 179.098 176.870 -0.050 0.000 1.073 1215 L CA 1.673 56.500 54.840 -0.020 0.000 0.745 1215 L CB -0.583 41.471 42.059 -0.008 0.000 0.894 1215 L HN 0.399 nan 8.230 nan 0.000 0.432 1216 L N -0.676 120.429 121.223 -0.196 0.000 2.127 1216 L HA -0.200 4.140 4.340 0.000 0.000 0.211 1216 L C 2.631 179.475 176.870 -0.043 0.000 1.089 1216 L CA 1.106 55.774 54.840 -0.286 0.000 0.757 1216 L CB -0.925 40.580 42.059 -0.923 0.000 0.899 1216 L HN 0.402 nan 8.230 nan 0.000 0.434 1217 A N 0.252 123.074 122.820 0.004 0.000 1.873 1217 A HA -0.144 4.177 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 1.296 53.368 52.037 0.058 0.000 0.616 1217 A CB -0.630 18.227 19.000 -0.238 0.000 0.823 1217 A HN 0.355 nan 8.150 nan 0.000 0.442 1218 L N -0.606 120.624 121.223 0.010 0.000 2.083 1218 L HA -0.156 4.184 4.340 0.000 0.000 0.209 1218 L C 2.409 179.220 176.870 -0.099 0.000 1.083 1218 L CA 0.909 55.762 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 -0.779 120.404 121.223 -0.066 0.000 2.217 1219 L HA -0.166 4.174 4.340 0.000 0.000 0.211 1219 L C 2.545 179.368 176.870 -0.078 0.000 1.107 1219 L CA 0.624 55.398 54.840 -0.111 0.000 0.783 1219 L CB -0.333 41.738 42.059 0.021 0.000 0.919 1219 L HN 0.262 nan 8.230 nan 0.000 0.442 1220 Q N 0.493 120.287 119.800 -0.010 0.000 2.187 1220 Q HA -0.044 4.296 4.340 0.000 0.000 0.199 1220 Q C 1.907 177.873 176.000 -0.057 0.000 0.957 1220 Q CA 1.261 57.066 55.803 0.002 0.000 0.857 1220 Q CB 0.066 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 -0.018 121.149 121.223 -0.094 0.000 2.592 1221 L HA 0.181 4.521 4.340 0.000 0.000 0.227 1221 L C -0.094 176.703 176.870 -0.120 0.000 1.127 1221 L CA 0.077 54.858 54.840 -0.100 0.000 0.884 1221 L CB -0.011 41.984 42.059 -0.106 0.000 1.065 1221 L HN 0.113 nan 8.230 nan 0.000 0.457 1222 K N 0.909 121.171 120.400 -0.229 0.000 3.239 1222 K HA -0.205 4.115 4.320 0.000 0.000 0.270 1222 K C -0.274 176.088 176.600 -0.398 0.000 1.049 1222 K CA 0.513 56.556 56.287 -0.407 0.000 0.769 1222 K CB -1.277 31.220 32.500 -0.004 0.000 1.305 1222 K HN 0.146 nan 8.250 nan 0.000 0.469 1223 D N 0.465 120.611 120.400 -0.423 0.000 2.622 1223 D HA 0.195 4.835 4.640 0.000 0.000 0.262 1223 D C 0.180 176.418 176.300 -0.104 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 0.167 nan 8.370 nan 0.000 0.513 1224 F N 0.195 120.228 119.950 0.138 0.000 2.816 1224 F HA 0.100 4.627 4.527 0.000 0.000 0.302 1224 F C 1.445 177.339 175.800 0.156 0.000 1.178 1224 F CA 0.048 58.135 58.000 0.145 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 -1.208 119.366 120.400 0.291 0.000 2.354 1225 D HA -0.021 4.619 4.640 0.000 0.000 0.209 1225 D C 1.291 177.752 176.300 0.268 0.000 1.015 1225 D CA 0.676 54.824 54.000 0.248 0.000 0.867 1225 D CB -0.061 40.868 40.800 0.215 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 0.126 0.000 2.706 1226 F HA 0.137 4.664 4.527 0.000 0.000 0.313 1226 F C 1.463 177.349 175.800 0.144 0.000 1.096 1226 F CA 0.015 58.088 58.000 0.123 0.000 1.219 1226 F CB 0.628 39.708 39.000 0.133 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 0.226 0.000 2.379 1227 V HA -0.052 4.068 4.120 0.000 0.000 0.243 1227 V C -0.519 175.645 176.094 0.116 0.000 1.035 1227 V CA 1.377 63.798 62.300 0.202 0.000 1.035 1227 V CB -1.457 30.536 31.823 0.283 0.000 0.673 1227 V HN 0.100 nan 8.190 nan 0.000 0.457 1228 P HA -0.135 nan 4.420 nan 0.000 0.216 1228 P C -1.427 175.872 177.300 -0.001 0.000 1.157 1228 P CA 2.106 65.255 63.100 0.082 0.000 0.880 1228 P CB -1.314 30.443 31.700 0.095 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 -0.056 0.000 1.150 1229 P CA 1.048 64.083 63.100 -0.108 0.000 0.832 1229 P CB -0.446 31.091 31.700 -0.272 0.000 0.787 1230 V N -0.427 119.455 119.914 -0.053 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 0.112 0.000 1.045 1230 V CA 1.706 64.047 62.300 0.069 0.000 1.024 1230 V CB -1.258 30.665 31.823 0.168 0.000 0.651 1230 V HN -0.051 nan 8.190 nan 0.000 0.449 1231 V N 0.211 120.125 119.914 0.001 0.000 2.407 1231 V HA -0.283 3.837 4.120 0.000 0.000 0.248 1231 V C 2.567 178.631 176.094 -0.050 0.000 1.055 1231 V CA 2.389 64.622 62.300 -0.112 0.000 1.049 1231 V CB -0.876 30.700 31.823 -0.412 0.000 0.662 1231 V HN 0.507 nan 8.190 nan 0.000 0.455 1232 R N -1.150 119.346 120.500 -0.007 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 2.294 58.401 56.100 0.011 0.000 0.967 1232 R CB -0.402 29.912 30.300 0.023 0.000 0.861 1232 R HN 0.651 nan 8.270 nan 0.000 0.442 1233 W N 1.051 122.310 121.300 -0.069 0.000 2.363 1233 W HA -0.128 4.533 4.660 0.000 0.000 0.296 1233 W C 1.485 177.968 176.519 -0.059 0.000 1.212 1233 W CA 1.228 58.540 57.345 -0.055 0.000 1.260 1233 W CB -0.119 29.316 29.460 -0.041 0.000 1.131 1233 W HN 0.053 nan 8.180 nan 0.000 0.530 1234 L N 0.592 121.862 121.223 0.079 0.000 2.005 1234 L HA -0.250 4.091 4.340 0.000 0.000 0.207 1234 L C 2.284 179.007 176.870 -0.246 0.000 1.072 1234 L CA 1.454 56.230 54.840 -0.108 0.000 0.744 1234 L CB -1.149 40.909 42.059 -0.000 0.000 0.895 1234 L HN -0.038 nan 8.230 nan 0.000 0.433 1235 N N 0.158 118.756 118.700 -0.170 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 1.116 54.068 53.050 -0.162 0.000 0.863 1235 N CB -0.170 38.263 38.487 -0.090 0.000 0.983 1235 N HN 0.427 nan 8.380 nan 0.000 0.429 1236 E N 0.348 120.417 120.200 -0.218 0.000 2.274 1236 E HA -0.078 4.272 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 56.702 56.400 -0.219 0.000 0.840 1236 E CB 0.078 29.659 29.700 -0.199 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 -0.437 0.000 2.291 1237 Q HA -0.045 4.295 4.340 0.000 0.000 0.205 1237 Q C 0.313 176.135 176.000 -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 28.318 28.738 -0.604 0.000 0.935 1237 Q HN 0.205 nan 8.270 nan 0.000 0.455 1238 R N -0.130 120.172 120.500 -0.330 0.000 3.333 1238 R HA -0.232 4.108 4.340 0.000 0.000 0.256 1238 R C -0.895 175.015 176.300 -0.649 0.000 1.010 1238 R CA 0.230 56.042 56.100 -0.481 0.000 0.680 1238 R CB -2.262 27.894 30.300 -0.241 0.000 1.102 1238 R HN 0.190 nan 8.270 nan 0.000 0.440 1239 Y N 0.357 120.282 120.300 -0.625 0.000 2.404 1239 Y HA 0.217 4.767 4.550 0.000 0.000 0.344 1239 Y C 0.027 175.684 175.900 -0.406 0.000 0.970 1239 Y CA -0.897 56.946 58.100 -0.428 0.000 1.180 1239 Y CB 0.372 38.670 38.460 -0.271 0.000 1.138 1239 Y HN 0.136 nan 8.280 nan 0.000 0.510 1240 Y N 4.605 124.698 120.300 -0.345 0.000 2.583 1240 Y HA 0.382 4.932 4.550 0.000 0.000 0.294 1240 Y C 1.369 177.198 175.900 -0.119 0.000 1.170 1240 Y CA -0.052 57.995 58.100 -0.089 0.000 1.265 1240 Y CB -0.200 38.309 38.460 0.082 0.000 1.119 1240 Y HN 0.904 nan 8.280 nan 0.000 0.522 1241 G N 0.116 108.466 108.800 -0.749 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 -1.938 106.964 108.800 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 1.255 176.229 174.900 0.123 0.000 1.452 1242 G CA 0.784 45.993 45.100 0.180 0.000 0.922 1242 G HN 3.250 nan 8.290 nan 0.000 0.588 1243 G N -0.418 108.455 108.800 0.121 0.000 2.592 1243 G HA2 0.457 4.417 3.960 0.000 0.000 0.685 1243 G HA3 0.457 4.417 3.960 0.000 0.000 0.685 1243 G C -0.334 174.662 174.900 0.160 0.000 1.278 1243 G CA 0.047 45.230 45.100 0.138 0.000 0.822 1243 G HN 2.236 nan 8.290 nan 0.000 0.652 1244 Y N 1.538 121.873 120.300 0.058 0.000 2.865 1244 Y HA 0.280 4.830 4.550 0.000 0.000 0.338 1244 Y C 1.509 177.441 175.900 0.054 0.000 1.269 1244 Y CA 1.944 60.075 58.100 0.051 0.000 1.585 1244 Y CB 0.399 38.882 38.460 0.038 0.000 1.224 1244 Y HN 2.491 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 0.307 175.144 174.900 -0.106 0.000 1.055 1245 G CA 0.554 45.399 45.100 -0.424 0.000 0.922 1245 G HN 1.484 nan 8.290 nan 0.000 0.503 1246 S N -1.893 113.811 115.700 0.007 0.000 2.624 1246 S HA 0.392 4.862 4.470 0.000 0.000 0.246 1246 S C 1.507 176.224 174.600 0.196 0.000 1.072 1246 S CA 0.838 59.128 58.200 0.149 0.000 1.045 1246 S CB 0.706 64.064 63.200 0.263 0.000 0.851 1246 S HN 0.297 nan 8.310 nan 0.000 0.480 1247 T N 2.456 117.089 114.554 0.131 0.000 2.701 1247 T HA -0.069 4.281 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 1.333 63.540 62.100 0.178 0.000 1.147 1247 T CB -0.172 68.733 68.868 0.060 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 0.200 4.540 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 1.189 57.245 55.803 0.421 0.000 0.847 1248 Q CB -0.682 28.322 28.738 0.444 0.000 0.915 1248 Q HN 0.544 nan 8.270 nan 0.000 0.448 1249 A N 0.455 123.465 122.820 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 0.369 0.000 1.169 1249 A CA 1.905 54.093 52.037 0.252 0.000 0.635 1249 A CB -0.484 18.573 19.000 0.094 0.000 0.810 1249 A HN 0.351 nan 8.150 nan 0.000 0.446 1250 T N -1.677 113.149 114.554 0.453 0.000 2.901 1250 T HA 0.036 4.386 4.350 0.000 0.000 0.252 1250 T C 1.587 176.578 174.700 0.485 0.000 1.035 1250 T CA 1.055 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 0.306 0.000 2.216 1251 F HA -0.045 4.482 4.527 0.000 0.000 0.300 1251 F C 1.977 177.883 175.800 0.177 0.000 1.085 1251 F CA 1.058 59.210 58.000 0.254 0.000 1.326 1251 F CB -0.149 39.028 39.000 0.295 0.000 1.027 1251 F HN 0.004 nan 8.300 nan 0.000 0.497 1252 M N -1.127 118.625 119.600 0.255 0.000 2.394 1252 M HA 0.006 4.487 4.480 0.000 0.000 0.266 1252 M C 2.353 178.605 176.300 -0.079 0.000 1.098 1252 M CA 0.705 56.005 55.300 -0.000 0.000 1.149 1252 M CB -1.283 31.288 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 3.930 4.120 0.000 0.000 0.252 1253 V C 1.703 177.602 176.094 -0.327 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 -0.614 119.273 119.950 -0.105 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 0.972 58.878 58.000 -0.157 0.000 1.398 1254 F CB -0.077 38.746 39.000 -0.295 0.000 1.120 1254 F HN 0.159 nan 8.300 nan 0.000 0.589 1255 Q N 0.366 120.173 119.800 0.012 0.000 2.187 1255 Q HA -0.046 4.295 4.340 0.000 0.000 0.199 1255 Q C 2.189 178.193 176.000 0.006 0.000 0.957 1255 Q CA 1.185 56.949 55.803 -0.064 0.000 0.857 1255 Q CB 0.034 28.573 28.738 -0.332 0.000 0.929 1255 Q HN 0.341 nan 8.270 nan 0.000 0.453 1256 A N 0.533 123.333 122.820 -0.033 0.000 1.898 1256 A HA -0.018 4.302 4.320 0.000 0.000 0.214 1256 A C 1.935 179.583 177.584 0.108 0.000 1.183 1256 A CA 0.582 52.608 52.037 -0.020 0.000 0.622 1256 A CB -0.423 18.524 19.000 -0.089 0.000 0.824 1256 A HN 0.400 nan 8.150 nan 0.000 0.444 1257 L N -0.759 120.554 121.223 0.149 0.000 2.217 1257 L HA -0.106 4.234 4.340 0.000 0.000 0.211 1257 L C 2.962 180.053 176.870 0.368 0.000 1.107 1257 L CA 0.824 55.830 54.840 0.277 0.000 0.783 1257 L CB -0.431 41.814 42.059 0.310 0.000 0.919 1257 L HN 0.444 nan 8.230 nan 0.000 0.442 1258 A N -0.340 122.692 122.820 0.354 0.000 1.872 1258 A HA -0.224 4.096 4.320 0.000 0.000 0.214 1258 A C 2.207 179.847 177.584 0.092 0.000 1.187 1258 A CA 1.341 53.458 52.037 0.133 0.000 0.614 1258 A CB -0.405 18.720 19.000 0.209 0.000 0.826 1258 A HN 0.332 nan 8.150 nan 0.000 0.442 1259 Q N -1.270 118.622 119.800 0.154 0.000 2.170 1259 Q HA -0.202 4.138 4.340 0.000 0.000 0.203 1259 Q C 1.714 177.792 176.000 0.130 0.000 0.976 1259 Q CA 2.013 57.889 55.803 0.122 0.000 0.858 1259 Q CB -0.688 28.113 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 1.580 177.513 175.900 0.055 0.000 1.152 1260 Y CA 1.585 59.730 58.100 0.075 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 0.147 119.920 119.800 -0.046 0.000 2.250 1261 Q HA -0.040 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 0.970 56.683 55.803 -0.150 0.000 0.872 1261 Q CB -0.053 28.621 28.738 -0.107 0.000 0.965 1261 Q HN 0.523 nan 8.270 nan 0.000 0.480 1262 K N 1.181 121.535 120.400 -0.077 0.000 2.062 1262 K HA -0.121 4.200 4.320 0.000 0.000 0.205 1262 K C 1.225 177.796 176.600 -0.048 0.000 1.051 1262 K CA 1.481 57.735 56.287 -0.055 0.000 0.941 1262 K CB 0.002 32.492 32.500 -0.017 0.000 0.719 1262 K HN 0.237 nan 8.250 nan 0.000 0.440 1263 D N 0.432 120.825 120.400 -0.012 0.000 2.336 1263 D HA 0.034 4.674 4.640 0.000 0.000 0.229 1263 D C 0.069 176.350 176.300 -0.031 0.000 1.061 1263 D CA -0.140 53.891 54.000 0.051 0.000 0.875 1263 D CB -0.084 40.830 40.800 0.190 0.000 0.904 1263 D HN 0.021 nan 8.370 nan 0.000 0.525 1264 A N 1.239 123.956 122.820 -0.171 0.000 2.488 1264 A HA 0.372 4.692 4.320 0.000 0.000 0.249 1264 A C -1.219 176.204 177.584 -0.268 0.000 1.083 1264 A CA -0.844 51.023 52.037 -0.282 0.000 0.768 1264 A CB 0.542 19.339 19.000 -0.339 0.000 1.017 1264 A HN 0.092 nan 8.150 nan 0.000 0.496 1265 P HA 0.128 nan 4.420 nan 0.000 0.214 1265 P C -0.182 176.963 177.300 -0.257 0.000 1.163 1265 P CA 0.740 63.637 63.100 -0.339 0.000 0.881 1265 P CB 0.214 31.655 31.700 -0.432 0.000 0.775 1266 D N -4.473 115.822 120.400 -0.176 0.000 2.954 1266 D HA -0.170 4.470 4.640 0.000 0.000 0.200 1266 D C -0.285 176.012 176.300 -0.006 0.000 1.022 1266 D CA 1.253 55.197 54.000 -0.092 0.000 1.003 1266 D CB -2.554 38.173 40.800 -0.120 0.000 1.073 1266 D HN 0.497 nan 8.370 nan 0.000 0.438 1267 H N 0.056 119.027 119.070 -0.166 0.000 3.173 1267 H HA -0.158 4.398 4.556 0.000 0.000 0.314 1267 H C -0.205 175.054 175.328 -0.115 0.000 0.930 1267 H CA 1.801 57.777 56.048 -0.119 0.000 0.983 1267 H CB -0.684 29.046 29.762 -0.053 0.000 1.568 1267 H HN 0.565 nan 8.280 nan 0.000 0.343 1268 Q N 2.776 122.386 119.800 -0.317 0.000 2.721 1268 Q HA 0.430 4.771 4.340 0.000 0.000 0.282 1268 Q C -1.377 174.468 176.000 -0.258 0.000 0.932 1268 Q CA -0.464 55.186 55.803 -0.254 0.000 0.816 1268 Q CB 1.713 30.162 28.738 -0.481 0.000 1.506 1268 Q HN 0.630 nan 8.270 nan 0.000 0.399 1269 E N 1.788 121.916 120.200 -0.119 0.000 2.479 1269 E HA 0.161 4.511 4.350 0.000 0.000 0.273 1269 E C -1.303 175.305 176.600 0.013 0.000 1.062 1269 E CA -0.232 56.120 56.400 -0.080 0.000 0.826 1269 E CB -0.469 29.163 29.700 -0.113 0.000 1.126 1269 E HN 0.554 nan 8.360 nan 0.000 0.418 1270 L N 1.875 123.167 121.223 0.115 0.000 2.437 1270 L HA 0.270 4.610 4.340 0.000 0.000 0.243 1270 L C 0.273 177.171 176.870 0.047 0.000 1.346 1270 L CA -0.328 54.581 54.840 0.116 0.000 1.233 1270 L CB -0.399 41.786 42.059 0.210 0.000 1.436 1270 L HN 0.282 nan 8.230 nan 0.000 0.416 1271 N N 2.762 121.454 118.700 -0.012 0.000 3.194 1271 N HA 0.295 5.035 4.740 0.000 0.000 0.271 1271 N C -0.853 174.578 175.510 -0.131 0.000 1.308 1271 N CA -0.171 52.815 53.050 -0.108 0.000 1.042 1271 N CB 0.316 38.791 38.487 -0.020 0.000 1.310 1271 N HN 0.361 nan 8.380 nan 0.000 0.502 1272 L N 0.672 121.801 121.223 -0.156 0.000 2.289 1272 L HA 0.377 4.717 4.340 0.000 0.000 0.285 1272 L C -0.008 176.794 176.870 -0.114 0.000 1.049 1272 L CA -0.673 54.110 54.840 -0.095 0.000 0.804 1272 L CB 1.370 43.400 42.059 -0.048 0.000 1.195 1272 L HN 0.173 nan 8.230 nan 0.000 0.428 1273 D N 3.030 123.394 120.400 -0.059 0.000 2.434 1273 D HA 0.259 4.899 4.640 0.000 0.000 0.275 1273 D C -0.772 175.530 176.300 0.004 0.000 1.172 1273 D CA -0.276 53.706 54.000 -0.030 0.000 0.916 1273 D CB 1.119 41.908 40.800 -0.019 0.000 1.041 1273 D HN 0.008 nan 8.370 nan 0.000 0.501 1274 V N 2.447 122.375 119.914 0.024 0.000 2.546 1274 V HA 0.440 4.560 4.120 0.000 0.000 0.284 1274 V C 0.649 176.780 176.094 0.062 0.000 1.050 1274 V CA -0.422 61.905 62.300 0.045 0.000 0.981 1274 V CB 1.303 33.158 31.823 0.055 0.000 0.990 1274 V HN 0.618 nan 8.190 nan 0.000 0.474 1275 S N 5.684 121.419 115.700 0.058 0.000 2.536 1275 S HA 0.849 5.319 4.470 0.000 0.000 0.298 1275 S C -1.047 173.601 174.600 0.079 0.000 1.083 1275 S CA -0.867 57.368 58.200 0.058 0.000 0.995 1275 S CB 1.652 64.874 63.200 0.037 0.000 1.058 1275 S HN 0.467 nan 8.310 nan 0.000 0.488 1276 L N 1.889 123.157 121.223 0.075 0.000 2.381 1276 L HA 0.551 4.891 4.340 0.000 0.000 0.274 1276 L C -0.373 176.532 176.870 0.057 0.000 0.988 1276 L CA -0.420 54.471 54.840 0.085 0.000 0.824 1276 L CB 1.972 44.058 42.059 0.045 0.000 1.263 1276 L HN 0.796 nan 8.230 nan 0.000 0.410 1277 Q N 3.970 123.828 119.800 0.097 0.000 2.523 1277 Q HA 0.473 4.813 4.340 0.000 0.000 0.251 1277 Q C -1.555 174.505 176.000 0.100 0.000 1.033 1277 Q CA -0.699 55.148 55.803 0.073 0.000 0.746 1277 Q CB 1.049 29.829 28.738 0.070 0.000 1.189 1277 Q HN 0.515 nan 8.270 nan 0.000 0.508 1278 L N 4.333 125.570 121.223 0.022 0.000 2.375 1278 L HA 0.440 4.780 4.340 0.000 0.000 0.268 1278 L C -1.555 175.329 176.870 0.024 0.000 1.058 1278 L CA -2.019 52.830 54.840 0.015 0.000 0.803 1278 L CB 0.527 42.489 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 1.354 178.659 177.300 0.008 0.000 1.144 1279 P CA 1.301 64.419 63.100 0.030 0.000 0.800 1279 P CB 0.057 31.779 31.700 0.036 0.000 0.772 1280 S N -0.315 115.380 115.700 -0.008 0.000 2.465 1280 S HA -0.212 4.258 4.470 0.000 0.000 0.241 1280 S C 1.275 175.869 174.600 -0.010 0.000 1.000 1280 S CA 0.099 58.291 58.200 -0.015 0.000 0.964 1280 S CB -1.129 62.052 63.200 -0.031 0.000 0.763 1280 S HN 0.128 nan 8.310 nan 0.000 0.512 1281 R N 1.969 122.467 120.500 -0.004 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 -0.002 0.000 0.362 1281 R CA 0.946 57.046 56.100 0.000 0.000 0.555 1281 R CB -1.052 29.254 30.300 0.009 0.000 1.533 1281 R HN 0.710 nan 8.270 nan 0.000 0.507 1282 S N -0.649 115.047 115.700 -0.006 0.000 2.628 1282 S HA 0.066 4.536 4.470 0.000 0.000 0.246 1282 S C 0.872 175.468 174.600 -0.007 0.000 1.062 1282 S CA 0.137 58.333 58.200 -0.006 0.000 1.028 1282 S CB 0.603 63.798 63.200 -0.007 0.000 0.985 1282 S HN 0.601 nan 8.310 nan 0.000 0.551 1283 S N 0.575 116.269 115.700 -0.009 0.000 3.756 1283 S HA 0.727 5.197 4.470 0.000 0.000 0.183 1283 S C -0.764 173.829 174.600 -0.011 0.000 1.093 1283 S CA -0.363 57.831 58.200 -0.011 0.000 1.303 1283 S CB 0.755 63.946 63.200 -0.014 0.000 1.593 1283 S HN 0.137 nan 8.310 nan 0.000 0.841 1284 K N -0.268 120.122 120.400 -0.015 0.000 2.735 1284 K HA 0.571 4.891 4.320 0.000 0.000 0.295 1284 K C -2.131 174.455 176.600 -0.025 0.000 1.052 1284 K CA -0.341 55.937 56.287 -0.015 0.000 0.853 1284 K CB 1.451 33.942 32.500 -0.016 0.000 1.535 1284 K HN 0.651 nan 8.250 nan 0.000 0.383 1285 I N 0.966 121.523 120.570 -0.022 0.000 2.644 1285 I HA 0.364 4.534 4.170 0.000 0.000 0.291 1285 I C -1.053 175.042 176.117 -0.038 0.000 1.180 1285 I CA -0.528 60.753 61.300 -0.031 0.000 1.040 1285 I CB 2.587 40.597 38.000 0.017 0.000 1.255 1285 I HN 0.382 nan 8.210 nan 0.000 0.422 1286 T N 3.598 118.073 114.554 -0.133 0.000 3.483 1286 T HA 0.357 4.707 4.350 0.000 0.000 0.329 1286 T C -1.096 173.453 174.700 -0.252 0.000 1.014 1286 T CA -0.630 61.406 62.100 -0.106 0.000 1.056 1286 T CB 0.764 69.590 68.868 -0.070 0.000 1.090 1286 T HN 0.411 nan 8.240 nan 0.000 0.460 1287 H N 2.803 121.879 119.070 0.009 0.000 2.529 1287 H HA 0.484 5.040 4.556 0.000 0.000 0.348 1287 H C 0.055 175.387 175.328 0.008 0.000 1.079 1287 H CA -0.821 55.234 56.048 0.012 0.000 1.198 1287 H CB 2.032 31.797 29.762 0.006 0.000 1.521 1287 H HN 0.561 nan 8.280 nan 0.000 0.514 1288 R N 2.862 123.436 120.500 0.125 0.000 2.338 1288 R HA 0.426 4.766 4.340 0.000 0.000 0.317 1288 R C -0.807 175.518 176.300 0.042 0.000 0.968 1288 R CA -0.743 55.386 56.100 0.048 0.000 0.849 1288 R CB 1.205 31.566 30.300 0.101 0.000 1.128 1288 R HN 0.346 nan 8.270 nan 0.000 0.448 1289 I N 5.338 125.868 120.570 -0.067 0.000 2.395 1289 I HA 0.211 4.381 4.170 0.000 0.000 0.282 1289 I C 0.404 176.472 176.117 -0.083 0.000 1.107 1289 I CA -0.453 60.828 61.300 -0.031 0.000 1.210 1289 I CB -0.276 37.712 38.000 -0.019 0.000 1.456 1289 I HN 0.634 nan 8.210 nan 0.000 0.504 1290 H N 3.286 122.393 119.070 0.062 0.000 2.534 1290 H HA 0.057 4.613 4.556 0.000 0.000 0.364 1290 H C 0.699 176.107 175.328 0.133 0.000 1.328 1290 H CA -0.268 55.840 56.048 0.100 0.000 1.415 1290 H CB 1.515 31.332 29.762 0.092 0.000 1.573 1290 H HN 0.554 nan 8.280 nan 0.000 0.601 1291 W N 1.748 123.129 121.300 0.136 0.000 1.183 1291 W HA -0.269 4.391 4.660 0.000 0.000 0.258 1291 W C 1.588 178.139 176.519 0.053 0.000 0.716 1291 W CA 1.527 58.910 57.345 0.063 0.000 0.885 1291 W CB -0.168 29.318 29.460 0.043 0.000 0.970 1291 W HN 0.822 nan 8.180 nan 0.000 0.556 1292 E N 0.766 120.733 120.200 -0.387 0.000 2.786 1292 E HA -0.460 3.891 4.350 0.000 0.000 0.237 1292 E C 1.807 178.209 176.600 -0.330 0.000 0.950 1292 E CA 3.300 59.468 56.400 -0.385 0.000 1.380 1292 E CB -1.951 27.736 29.700 -0.022 0.000 1.351 1292 E HN 0.437 nan 8.360 nan 0.000 0.484 1293 S N 2.524 118.142 115.700 -0.136 0.000 2.354 1293 S HA -0.029 4.441 4.470 0.000 0.000 0.219 1293 S C 2.065 176.586 174.600 -0.132 0.000 1.035 1293 S CA 3.092 61.233 58.200 -0.100 0.000 1.037 1293 S CB -1.028 62.161 63.200 -0.018 0.000 0.956 1293 S HN 1.214 nan 8.310 nan 0.000 0.428 1294 A N 2.176 124.944 122.820 -0.087 0.000 4.368 1294 A HA -0.418 3.902 4.320 0.000 0.000 0.362 1294 A C 2.301 179.836 177.584 -0.081 0.000 2.036 1294 A CA 4.204 56.191 52.037 -0.082 0.000 0.807 1294 A CB -2.515 16.392 19.000 -0.155 0.000 1.408 1294 A HN 1.668 nan 8.150 nan 0.000 0.477 1295 S N -0.120 115.506 115.700 -0.123 0.000 2.434 1295 S HA -0.127 4.343 4.470 0.000 0.000 0.243 1295 S C 0.895 175.456 174.600 -0.065 0.000 1.045 1295 S CA 1.519 59.665 58.200 -0.091 0.000 1.019 1295 S CB -1.011 62.122 63.200 -0.112 0.000 0.811 1295 S HN 1.806 nan 8.310 nan 0.000 0.485 1296 L N 2.172 123.356 121.223 -0.064 0.000 2.776 1296 L HA 0.061 4.401 4.340 0.000 0.000 0.283 1296 L C -0.584 176.262 176.870 -0.041 0.000 1.194 1296 L CA 0.384 55.196 54.840 -0.045 0.000 0.947 1296 L CB -0.345 41.695 42.059 -0.032 0.000 1.255 1296 L HN 0.238 nan 8.230 nan 0.000 0.481 1297 L N 6.900 128.098 121.223 -0.042 0.000 2.385 1297 L HA 0.314 4.655 4.340 0.000 0.000 0.285 1297 L C 0.572 177.404 176.870 -0.064 0.000 1.125 1297 L CA 0.421 55.233 54.840 -0.046 0.000 0.890 1297 L CB 0.023 42.059 42.059 -0.039 0.000 1.251 1297 L HN 0.516 nan 8.230 nan 0.000 0.445 1298 R N 1.743 122.191 120.500 -0.088 0.000 2.340 1298 R HA 0.559 4.899 4.340 0.000 0.000 0.300 1298 R C 0.057 176.251 176.300 -0.176 0.000 1.069 1298 R CA -0.197 55.806 56.100 -0.162 0.000 0.984 1298 R CB 0.980 31.134 30.300 -0.244 0.000 1.003 1298 R HN 0.690 nan 8.270 nan 0.000 0.459 1299 S N 1.570 117.164 115.700 -0.176 0.000 2.570 1299 S HA 0.571 5.041 4.470 0.000 0.000 0.286 1299 S C -0.832 173.685 174.600 -0.139 0.000 1.099 1299 S CA -1.130 56.992 58.200 -0.129 0.000 0.913 1299 S CB 2.668 65.823 63.200 -0.075 0.000 1.085 1299 S HN 0.377 nan 8.310 nan 0.000 0.480 1300 E N 0.854 120.990 120.200 -0.106 0.000 2.314 1300 E HA 0.569 4.919 4.350 0.000 0.000 0.272 1300 E C -1.411 175.142 176.600 -0.077 0.000 0.884 1300 E CA -0.532 55.814 56.400 -0.090 0.000 0.753 1300 E CB 2.214 31.854 29.700 -0.100 0.000 1.213 1300 E HN 0.742 nan 8.360 nan 0.000 0.432 1301 E N 0.416 120.579 120.200 -0.063 0.000 2.222 1301 E HA 0.548 4.898 4.350 0.000 0.000 0.267 1301 E C -0.953 175.613 176.600 -0.057 0.000 0.884 1301 E CA -0.755 55.615 56.400 -0.051 0.000 0.764 1301 E CB 1.925 31.607 29.700 -0.030 0.000 1.169 1301 E HN 0.409 nan 8.360 nan 0.000 0.413 1302 T N -1.071 113.449 114.554 -0.055 0.000 2.881 1302 T HA 0.371 4.722 4.350 0.000 0.000 0.291 1302 T C 0.228 174.915 174.700 -0.022 0.000 0.990 1302 T CA -1.071 60.999 62.100 -0.051 0.000 0.976 1302 T CB 1.146 69.961 68.868 -0.087 0.000 0.970 1302 T HN 0.340 nan 8.240 nan 0.000 0.438 1303 K N 1.063 121.456 120.400 -0.012 0.000 2.555 1303 K HA 0.081 4.401 4.320 0.000 0.000 0.193 1303 K C 0.608 177.212 176.600 0.007 0.000 1.032 1303 K CA 0.452 56.741 56.287 0.003 0.000 1.004 1303 K CB 0.286 32.789 32.500 0.006 0.000 0.804 1303 K HN 0.697 nan 8.250 nan 0.000 0.496 1304 E N 1.216 121.415 120.200 -0.001 0.000 2.222 1304 E HA 0.098 4.449 4.350 0.000 0.000 0.267 1304 E C -1.310 175.297 176.600 0.011 0.000 0.884 1304 E CA -0.807 55.596 56.400 0.004 0.000 0.764 1304 E CB 1.071 30.771 29.700 0.001 0.000 1.169 1304 E HN -0.104 nan 8.360 nan 0.000 0.413 1305 N N 3.686 122.395 118.700 0.014 0.000 2.415 1305 N HA 0.043 4.783 4.740 0.000 0.000 0.250 1305 N C -1.164 174.374 175.510 0.046 0.000 1.127 1305 N CA 0.225 53.290 53.050 0.026 0.000 0.945 1305 N CB 0.467 38.951 38.487 -0.005 0.000 1.196 1305 N HN 0.357 nan 8.380 nan 0.000 0.499 1306 E N 1.224 121.481 120.200 0.096 0.000 2.281 1306 E HA 0.504 4.854 4.350 0.000 0.000 0.262 1306 E C -0.287 176.440 176.600 0.211 0.000 0.933 1306 E CA -1.054 55.422 56.400 0.127 0.000 0.809 1306 E CB 1.585 31.354 29.700 0.115 0.000 1.242 1306 E HN 0.566 nan 8.360 nan 0.000 0.418 1307 G N 1.622 110.513 108.800 0.153 0.000 2.547 1307 G HA2 0.513 4.473 3.960 0.000 0.000 0.327 1307 G HA3 0.513 4.473 3.960 0.000 0.000 0.327 1307 G C -0.539 174.439 174.900 0.129 0.000 1.118 1307 G CA -0.440 44.709 45.100 0.082 0.000 1.022 1307 G HN 0.281 nan 8.290 nan 0.000 0.464 1308 F N 0.433 120.380 119.950 -0.004 0.000 2.631 1308 F HA 0.909 5.436 4.527 0.000 0.000 0.350 1308 F C -0.043 175.757 175.800 0.000 0.000 1.080 1308 F CA -1.245 56.755 58.000 -0.001 0.000 1.026 1308 F CB 1.518 40.519 39.000 0.002 0.000 1.347 1308 F HN 0.188 nan 8.300 nan 0.000 0.501 1309 T N 1.083 115.727 114.554 0.149 0.000 2.886 1309 T HA 0.590 4.940 4.350 0.000 0.000 0.292 1309 T C -1.105 173.678 174.700 0.138 0.000 1.012 1309 T CA -0.610 61.512 62.100 0.035 0.000 0.982 1309 T CB 1.910 70.794 68.868 0.026 0.000 1.018 1309 T HN 0.557 nan 8.240 nan 0.000 0.451 1310 V N 2.683 122.643 119.914 0.077 0.000 2.483 1310 V HA 0.647 4.767 4.120 0.000 0.000 0.295 1310 V C 0.005 176.133 176.094 0.057 0.000 1.035 1310 V CA -0.631 61.733 62.300 0.106 0.000 0.896 1310 V CB 1.945 33.833 31.823 0.109 0.000 0.986 1310 V HN 1.009 nan 8.190 nan 0.000 0.447 1311 T N 3.941 118.530 114.554 0.058 0.000 2.864 1311 T HA 0.693 5.043 4.350 0.000 0.000 0.299 1311 T C -0.039 174.681 174.700 0.033 0.000 1.011 1311 T CA -0.207 61.915 62.100 0.037 0.000 0.975 1311 T CB 1.432 70.319 68.868 0.033 0.000 0.962 1311 T HN 0.938 nan 8.240 nan 0.000 0.448 1312 A N 2.929 125.763 122.820 0.024 0.000 2.269 1312 A HA 0.911 5.231 4.320 0.000 0.000 0.319 1312 A C -0.172 177.418 177.584 0.010 0.000 1.110 1312 A CA -0.621 51.426 52.037 0.017 0.000 0.847 1312 A CB 1.043 20.052 19.000 0.015 0.000 1.161 1312 A HN 0.798 nan 8.150 nan 0.000 0.497 1313 E N -0.649 119.553 120.200 0.003 0.000 2.400 1313 E HA 0.484 4.834 4.350 0.000 0.000 0.285 1313 E C -0.413 176.181 176.600 -0.011 0.000 1.005 1313 E CA 0.101 56.501 56.400 -0.001 0.000 0.816 1313 E CB 1.527 31.229 29.700 0.002 0.000 1.220 1313 E HN 2.269 nan 8.360 nan 0.000 0.426 1314 G N 2.335 111.130 108.800 -0.009 0.000 2.498 1314 G HA2 -0.104 3.856 3.960 0.000 0.000 0.651 1314 G HA3 -0.104 3.856 3.960 0.000 0.000 0.651 1314 G C -1.245 173.646 174.900 -0.014 0.000 1.284 1314 G CA -0.494 44.597 45.100 -0.014 0.000 0.950 1314 G HN 0.486 nan 8.290 nan 0.000 0.511 1315 K N -0.009 120.381 120.400 -0.017 0.000 2.102 1315 K HA 0.751 5.071 4.320 0.000 0.000 0.244 1315 K C 0.804 177.397 176.600 -0.013 0.000 1.021 1315 K CA 0.968 57.245 56.287 -0.017 0.000 0.913 1315 K CB 0.837 33.321 32.500 -0.026 0.000 1.062 1315 K HN 2.441 nan 8.250 nan 0.000 0.485 1316 G N -0.049 108.746 108.800 -0.009 0.000 2.619 1316 G HA2 -0.092 3.868 3.960 0.000 0.000 0.686 1316 G HA3 -0.092 3.868 3.960 0.000 0.000 0.686 1316 G C -1.572 173.339 174.900 0.017 0.000 1.256 1316 G CA -0.851 44.255 45.100 0.010 0.000 0.826 1316 G HN 0.523 nan 8.290 nan 0.000 0.619 1317 Q N -0.148 119.672 119.800 0.033 0.000 2.321 1317 Q HA 0.669 5.009 4.340 0.000 0.000 0.270 1317 Q C 0.274 176.293 176.000 0.031 0.000 1.032 1317 Q CA -0.169 55.653 55.803 0.032 0.000 0.784 1317 Q CB 1.662 30.425 28.738 0.042 0.000 1.264 1317 Q HN 1.544 nan 8.270 nan 0.000 0.448 1318 G N 1.102 109.915 108.800 0.022 0.000 2.949 1318 G HA2 0.710 4.670 3.960 0.000 0.000 0.285 1318 G HA3 0.710 4.670 3.960 0.000 0.000 0.285 1318 G C -1.256 173.653 174.900 0.015 0.000 1.395 1318 G CA -0.463 44.648 45.100 0.017 0.000 0.901 1318 G HN 0.479 nan 8.290 nan 0.000 0.519 1319 T N 0.025 114.586 114.554 0.011 0.000 2.893 1319 T HA 0.526 4.876 4.350 0.000 0.000 0.293 1319 T C -1.446 173.261 174.700 0.011 0.000 1.027 1319 T CA -0.302 61.804 62.100 0.010 0.000 0.988 1319 T CB 1.820 70.693 68.868 0.009 0.000 1.043 1319 T HN 0.473 nan 8.240 nan 0.000 0.461 1320 L N 3.733 124.965 121.223 0.014 0.000 2.342 1320 L HA 0.695 5.036 4.340 0.000 0.000 0.276 1320 L C -0.436 176.446 176.870 0.021 0.000 0.997 1320 L CA -0.296 54.557 54.840 0.021 0.000 0.838 1320 L CB 1.264 43.340 42.059 0.029 0.000 1.224 1320 L HN 0.721 nan 8.230 nan 0.000 0.416 1321 S N 4.173 119.886 115.700 0.023 0.000 2.596 1321 S HA 0.820 5.290 4.470 0.000 0.000 0.318 1321 S C -0.780 173.842 174.600 0.036 0.000 1.097 1321 S CA -0.706 57.508 58.200 0.023 0.000 1.080 1321 S CB 1.461 64.669 63.200 0.014 0.000 0.991 1321 S HN 0.335 nan 8.310 nan 0.000 0.471 1322 V N 3.727 123.669 119.914 0.047 0.000 2.417 1322 V HA 0.646 4.766 4.120 0.000 0.000 0.291 1322 V C -0.513 175.614 176.094 0.055 0.000 1.024 1322 V CA -0.574 61.769 62.300 0.071 0.000 0.861 1322 V CB 1.488 33.384 31.823 0.121 0.000 0.985 1322 V HN 0.857 nan 8.190 nan 0.000 0.436 1323 V N 3.599 123.544 119.914 0.052 0.000 2.709 1323 V HA 0.637 4.757 4.120 0.000 0.000 0.308 1323 V C 0.079 176.207 176.094 0.057 0.000 1.062 1323 V CA -0.565 61.764 62.300 0.048 0.000 0.901 1323 V CB 2.537 34.381 31.823 0.034 0.000 1.003 1323 V HN 0.978 nan 8.190 nan 0.000 0.425 1324 T N 1.888 116.485 114.554 0.072 0.000 2.895 1324 T HA 0.803 5.153 4.350 0.000 0.000 0.283 1324 T C -0.522 174.258 174.700 0.133 0.000 1.014 1324 T CA -0.647 61.507 62.100 0.090 0.000 1.037 1324 T CB 1.908 70.822 68.868 0.077 0.000 1.006 1324 T HN 0.614 nan 8.240 nan 0.000 0.468 1325 M N 3.478 123.155 119.600 0.128 0.000 2.259 1325 M HA 0.597 5.077 4.480 0.000 0.000 0.304 1325 M C -1.914 174.475 176.300 0.148 0.000 1.019 1325 M CA -0.851 54.507 55.300 0.096 0.000 0.922 1325 M CB 1.321 33.924 32.600 0.005 0.000 1.600 1325 M HN 0.997 nan 8.290 nan 0.000 0.433 1326 Y N 0.644 120.883 120.300 -0.102 0.000 2.744 1326 Y HA 0.530 5.080 4.550 0.000 0.000 0.330 1326 Y C -1.508 174.276 175.900 -0.194 0.000 1.263 1326 Y CA -1.255 56.782 58.100 -0.106 0.000 1.065 1326 Y CB 1.098 39.551 38.460 -0.012 0.000 1.306 1326 Y HN 0.507 nan 8.280 nan 0.000 0.459 1327 H N 1.666 120.734 119.070 -0.002 0.000 2.690 1327 H HA 0.638 5.194 4.556 0.000 0.000 0.289 1327 H C -0.256 175.030 175.328 -0.071 0.000 1.089 1327 H CA -0.113 55.873 56.048 -0.102 0.000 1.299 1327 H CB 1.125 30.895 29.762 0.013 0.000 1.405 1327 H HN 0.875 nan 8.280 nan 0.000 0.463 1328 A N 3.695 126.368 122.820 -0.244 0.000 2.313 1328 A HA 0.158 4.478 4.320 0.000 0.000 0.261 1328 A C 0.581 178.208 177.584 0.072 0.000 1.090 1328 A CA -0.588 51.435 52.037 -0.023 0.000 0.807 1328 A CB 0.532 19.437 19.000 -0.160 0.000 1.055 1328 A HN 0.672 nan 8.150 nan 0.000 0.492 1329 K N 1.540 122.005 120.400 0.108 0.000 2.273 1329 K HA 0.425 4.746 4.320 0.000 0.000 0.287 1329 K C -0.138 176.491 176.600 0.048 0.000 1.089 1329 K CA -0.089 56.242 56.287 0.074 0.000 0.909 1329 K CB 0.254 32.799 32.500 0.075 0.000 1.123 1329 K HN 0.718 nan 8.250 nan 0.000 0.473 1330 A N 4.800 127.641 122.820 0.035 0.000 2.409 1330 A HA 0.123 4.443 4.320 0.000 0.000 0.267 1330 A C 0.084 177.683 177.584 0.026 0.000 1.127 1330 A CA -0.304 51.748 52.037 0.026 0.000 0.795 1330 A CB 0.173 19.186 19.000 0.022 0.000 1.061 1330 A HN 0.831 nan 8.150 nan 0.000 0.502 1331 K N 2.339 122.753 120.400 0.024 0.000 3.256 1331 K HA 0.024 4.344 4.320 0.000 0.000 0.285 1331 K C -0.523 176.089 176.600 0.020 0.000 1.086 1331 K CA 0.197 56.497 56.287 0.022 0.000 1.125 1331 K CB -0.419 32.093 32.500 0.020 0.000 1.292 1331 K HN 0.742 nan 8.250 nan 0.000 0.312 1332 D N 0.327 120.740 120.400 0.021 0.000 2.811 1332 D HA -0.257 4.383 4.640 0.000 0.000 0.231 1332 D C 0.129 176.442 176.300 0.021 0.000 1.157 1332 D CA 0.906 54.919 54.000 0.021 0.000 0.716 1332 D CB -1.232 39.580 40.800 0.020 0.000 1.077 1332 D HN 0.599 nan 8.370 nan 0.000 0.428 1333 Q N 0.109 119.921 119.800 0.019 0.000 2.326 1333 Q HA -0.007 4.333 4.340 0.000 0.000 0.314 1333 Q C 0.202 176.214 176.000 0.019 0.000 1.091 1333 Q CA -0.351 55.462 55.803 0.016 0.000 0.974 1333 Q CB 0.432 29.178 28.738 0.014 0.000 1.220 1333 Q HN 0.173 nan 8.270 nan 0.000 0.398 1334 L N 5.157 126.390 121.223 0.017 0.000 2.771 1334 L HA -0.097 4.243 4.340 0.000 0.000 0.278 1334 L C 1.183 178.068 176.870 0.026 0.000 1.175 1334 L CA 1.470 56.322 54.840 0.020 0.000 0.973 1334 L CB -0.189 41.877 42.059 0.013 0.000 1.286 1334 L HN 1.015 nan 8.230 nan 0.000 0.481 1335 T N -0.304 114.271 114.554 0.034 0.000 3.085 1335 T HA -0.050 4.300 4.350 0.000 0.000 0.263 1335 T C 1.743 176.471 174.700 0.047 0.000 1.127 1335 T CA 0.557 62.680 62.100 0.039 0.000 1.103 1335 T CB -0.131 68.762 68.868 0.043 0.000 0.921 1335 T HN 0.689 nan 8.240 nan 0.000 0.510 1336 c N 1.518 120.149 118.600 0.052 0.000 2.587 1336 c HA 0.203 4.773 4.570 0.000 0.000 0.287 1336 c C 0.678 174.812 174.090 0.073 0.000 1.374 1336 c CA -0.104 56.270 56.329 0.075 0.000 1.770 1336 c CB -1.071 41.489 42.510 0.083 0.000 2.137 1336 c HN 0.854 nan 8.230 nan 0.000 0.550 1337 N N 1.512 120.232 118.700 0.033 0.000 2.661 1337 N HA -0.240 4.500 4.740 0.000 0.000 0.304 1337 N C -0.256 175.222 175.510 -0.053 0.000 1.273 1337 N CA 1.287 54.327 53.050 -0.017 0.000 0.684 1337 N CB -0.902 37.572 38.487 -0.022 0.000 1.036 1337 N HN 0.825 nan 8.380 nan 0.000 0.527 1338 K N -1.231 119.064 120.400 -0.175 0.000 3.368 1338 K HA -0.084 4.236 4.320 0.000 0.000 0.225 1338 K C -1.085 175.149 176.600 -0.610 0.000 1.163 1338 K CA 0.531 56.530 56.287 -0.480 0.000 0.910 1338 K CB -1.212 31.111 32.500 -0.294 0.000 1.663 1338 K HN 0.455 nan 8.250 nan 0.000 0.611 1339 F N 1.770 121.693 119.950 -0.045 0.000 3.361 1339 F HA 0.217 4.744 4.527 0.000 0.000 0.390 1339 F C -0.673 175.141 175.800 0.022 0.000 1.251 1339 F CA -1.094 56.928 58.000 0.037 0.000 1.260 1339 F CB 1.148 40.197 39.000 0.081 0.000 1.847 1339 F HN -0.204 nan 8.300 nan 0.000 0.673 1340 D N 3.048 123.536 120.400 0.147 0.000 2.382 1340 D HA 0.439 5.079 4.640 0.000 0.000 0.245 1340 D C -0.779 175.598 176.300 0.128 0.000 1.120 1340 D CA 0.331 54.394 54.000 0.105 0.000 0.890 1340 D CB 1.849 42.684 40.800 0.057 0.000 1.201 1340 D HN 0.293 nan 8.370 nan 0.000 0.433 1341 L N 1.939 123.215 121.223 0.088 0.000 2.580 1341 L HA 0.334 4.674 4.340 0.000 0.000 0.266 1341 L C -1.591 175.303 176.870 0.041 0.000 0.955 1341 L CA -0.569 54.310 54.840 0.066 0.000 0.886 1341 L CB 1.586 43.679 42.059 0.056 0.000 1.263 1341 L HN 0.119 nan 8.230 nan 0.000 0.406 1342 K N 4.032 124.448 120.400 0.028 0.000 2.450 1342 K HA 0.747 5.067 4.320 0.000 0.000 0.257 1342 K C -1.229 175.367 176.600 -0.006 0.000 0.953 1342 K CA -0.401 55.896 56.287 0.018 0.000 0.844 1342 K CB 2.312 34.822 32.500 0.015 0.000 1.103 1342 K HN 0.316 nan 8.250 nan 0.000 0.429 1343 V N 2.777 122.690 119.914 -0.002 0.000 2.398 1343 V HA 0.508 4.628 4.120 0.000 0.000 0.286 1343 V C -0.339 175.728 176.094 -0.046 0.000 1.026 1343 V CA -0.595 61.676 62.300 -0.048 0.000 0.868 1343 V CB 1.785 33.595 31.823 -0.020 0.000 0.982 1343 V HN 0.776 nan 8.190 nan 0.000 0.443 1344 T N 5.605 120.088 114.554 -0.118 0.000 2.876 1344 T HA 0.670 5.020 4.350 0.000 0.000 0.289 1344 T C -0.866 173.731 174.700 -0.171 0.000 1.014 1344 T CA -0.296 61.746 62.100 -0.096 0.000 0.986 1344 T CB 1.890 70.712 68.868 -0.077 0.000 1.021 1344 T HN 0.475 nan 8.240 nan 0.000 0.458 1345 I N 2.908 123.414 120.570 -0.107 0.000 2.439 1345 I HA 0.503 4.673 4.170 0.000 0.000 0.285 1345 I C -1.047 175.013 176.117 -0.095 0.000 1.021 1345 I CA -0.473 60.745 61.300 -0.137 0.000 1.091 1345 I CB 0.684 38.651 38.000 -0.056 0.000 1.242 1345 I HN 0.471 nan 8.210 nan 0.000 0.439 1346 K N 7.585 127.916 120.400 -0.114 0.000 2.385 1346 K HA 0.659 4.979 4.320 0.000 0.000 0.248 1346 K C -2.652 173.904 176.600 -0.073 0.000 0.955 1346 K CA -1.787 54.455 56.287 -0.076 0.000 0.816 1346 K CB 1.599 34.059 32.500 -0.066 0.000 1.250 1346 K HN 0.255 nan 8.250 nan 0.000 0.434 1347 P HA 0.017 nan 4.420 nan 0.000 0.271 1347 P C -1.200 176.085 177.300 -0.024 0.000 1.244 1347 P CA -0.279 62.807 63.100 -0.023 0.000 0.793 1347 P CB 0.522 32.219 31.700 -0.005 0.000 0.984 1348 A N 1.168 123.984 122.820 -0.007 0.000 2.320 1348 A HA 0.622 4.942 4.320 0.000 0.000 0.334 1348 A C -2.282 175.307 177.584 0.008 0.000 1.147 1348 A CA -1.569 50.465 52.037 -0.005 0.000 0.820 1348 A CB -0.733 18.268 19.000 0.002 0.000 1.218 1348 A HN 0.394 nan 8.150 nan 0.000 0.482 1349 P HA 0.265 nan 4.420 nan 0.000 0.264 1349 P C -0.521 176.790 177.300 0.018 0.000 1.236 1349 P CA 0.094 63.200 63.100 0.010 0.000 0.811 1349 P CB 0.147 31.852 31.700 0.008 0.000 0.840 1350 E N 1.812 122.024 120.200 0.019 0.000 2.422 1350 E HA 0.523 4.873 4.350 0.000 0.000 0.260 1350 E C 0.532 177.143 176.600 0.019 0.000 1.108 1350 E CA -0.239 56.175 56.400 0.023 0.000 0.943 1350 E CB -0.331 29.381 29.700 0.021 0.000 0.961 1350 E HN 0.559 nan 8.360 nan 0.000 0.443 1359 K N 0.150 120.584 120.400 0.057 0.000 1.993 1359 K HA 0.122 4.442 4.320 0.000 0.000 0.222 1359 K C 1.047 177.700 176.600 0.088 0.000 1.021 1359 K CA 1.640 57.968 56.287 0.069 0.000 1.023 1359 K CB -0.079 32.481 32.500 0.101 0.000 0.799 1359 K HN 0.295 nan 8.250 nan 0.000 0.444 1360 N N -2.491 116.291 118.700 0.137 0.000 1.939 1360 N HA -0.065 4.675 4.740 0.000 0.000 0.265 1360 N C -1.292 174.344 175.510 0.209 0.000 1.348 1360 N CA 0.311 53.465 53.050 0.173 0.000 0.746 1360 N CB 0.349 38.974 38.487 0.230 0.000 1.341 1360 N HN 0.256 nan 8.380 nan 0.000 0.582 1361 T N 2.305 116.997 114.554 0.230 0.000 2.190 1361 T HA -0.202 4.148 4.350 0.000 0.000 0.175 1361 T C 0.340 175.068 174.700 0.045 0.000 1.091 1361 T CA 0.927 63.107 62.100 0.134 0.000 1.860 1361 T CB -0.598 68.328 68.868 0.097 0.000 0.973 1361 T HN 0.103 nan 8.240 nan 0.000 0.415 1362 M N 4.464 124.075 119.600 0.018 0.000 2.817 1362 M HA 0.620 5.101 4.480 0.000 0.000 0.288 1362 M C 0.073 176.280 176.300 -0.156 0.000 1.202 1362 M CA -1.106 54.148 55.300 -0.077 0.000 0.871 1362 M CB 1.597 34.117 32.600 -0.133 0.000 1.611 1362 M HN 0.411 nan 8.290 nan 0.000 0.517 1363 I N 1.674 122.132 120.570 -0.186 0.000 2.436 1363 I HA 0.336 4.506 4.170 0.000 0.000 0.289 1363 I C -1.370 174.535 176.117 -0.354 0.000 1.010 1363 I CA -0.862 60.291 61.300 -0.245 0.000 1.098 1363 I CB 1.912 39.811 38.000 -0.169 0.000 1.266 1363 I HN 0.344 nan 8.210 nan 0.000 0.434 1364 L N 6.994 127.882 121.223 -0.559 0.000 2.276 1364 L HA 0.438 4.778 4.340 0.000 0.000 0.286 1364 L C -0.304 176.210 176.870 -0.594 0.000 1.024 1364 L CA 0.063 54.482 54.840 -0.702 0.000 0.826 1364 L CB 1.059 42.499 42.059 -1.031 0.000 1.211 1364 L HN 0.582 nan 8.230 nan 0.000 0.422 1365 E N 5.326 125.298 120.200 -0.380 0.000 2.171 1365 E HA 0.526 4.877 4.350 0.000 0.000 0.271 1365 E C -1.344 175.146 176.600 -0.184 0.000 0.916 1365 E CA -0.557 55.703 56.400 -0.233 0.000 0.774 1365 E CB 1.188 30.796 29.700 -0.153 0.000 1.128 1365 E HN 0.657 nan 8.360 nan 0.000 0.403 1366 I N 4.325 124.829 120.570 -0.110 0.000 2.436 1366 I HA 0.364 4.534 4.170 0.000 0.000 0.289 1366 I C -0.848 175.258 176.117 -0.019 0.000 1.010 1366 I CA -0.880 60.382 61.300 -0.063 0.000 1.098 1366 I CB 1.620 39.601 38.000 -0.032 0.000 1.266 1366 I HN 0.526 nan 8.210 nan 0.000 0.434 1367 c N 3.776 122.372 118.600 -0.007 0.000 2.441 1367 c HA 0.800 5.370 4.570 0.000 0.000 0.318 1367 c C 0.323 174.440 174.090 0.045 0.000 1.222 1367 c CA -0.442 55.897 56.329 0.018 0.000 1.474 1367 c CB 1.613 44.129 42.510 0.009 0.000 2.125 1367 c HN 0.806 nan 8.230 nan 0.000 0.479 1368 T N 2.415 117.013 114.554 0.073 0.000 2.883 1368 T HA 0.757 5.107 4.350 0.000 0.000 0.301 1368 T C -1.453 173.329 174.700 0.137 0.000 1.158 1368 T CA -0.504 61.673 62.100 0.128 0.000 1.007 1368 T CB 1.500 70.475 68.868 0.180 0.000 1.186 1368 T HN 0.886 nan 8.240 nan 0.000 0.499 1369 R N 1.952 122.547 120.500 0.159 0.000 2.604 1369 R HA 0.420 4.760 4.340 0.000 0.000 0.270 1369 R C -2.094 174.249 176.300 0.072 0.000 1.052 1369 R CA -0.741 55.429 56.100 0.117 0.000 0.902 1369 R CB 1.462 31.800 30.300 0.063 0.000 1.233 1369 R HN 0.704 nan 8.270 nan 0.000 0.455 1370 Y N 3.053 123.290 120.300 -0.106 0.000 2.336 1370 Y HA 0.284 4.835 4.550 0.000 0.000 0.335 1370 Y C 0.367 176.180 175.900 -0.146 0.000 1.046 1370 Y CA -0.174 57.742 58.100 -0.306 0.000 1.198 1370 Y CB 1.034 39.327 38.460 -0.279 0.000 1.182 1370 Y HN 0.526 nan 8.280 nan 0.000 0.502 1371 R N 4.241 124.336 120.500 -0.675 0.000 3.192 1371 R HA 0.210 4.550 4.340 0.000 0.000 0.264 1371 R C 0.244 176.262 176.300 -0.471 0.000 1.464 1371 R CA 0.150 55.997 56.100 -0.422 0.000 1.309 1371 R CB -0.328 29.776 30.300 -0.325 0.000 1.283 1371 R HN 0.806 nan 8.270 nan 0.000 0.584 1372 G N -0.768 107.770 108.800 -0.437 0.000 2.735 1372 G HA2 0.113 4.073 3.960 0.000 0.000 0.301 1372 G HA3 0.113 4.073 3.960 0.000 0.000 0.301 1372 G C -0.261 174.576 174.900 -0.105 0.000 1.279 1372 G CA -0.527 44.486 45.100 -0.145 0.000 1.019 1372 G HN -0.012 nan 8.290 nan 0.000 0.497 1373 D N -0.660 119.649 120.400 -0.152 0.000 2.305 1373 D HA 0.082 4.722 4.640 0.000 0.000 0.206 1373 D C 0.739 176.671 176.300 -0.613 0.000 0.974 1373 D CA 0.845 54.639 54.000 -0.343 0.000 0.871 1373 D CB 0.379 41.089 40.800 -0.151 0.000 0.947 1373 D HN 0.188 nan 8.370 nan 0.000 0.516 1374 Q N 0.756 120.377 119.800 -0.299 0.000 2.301 1374 Q HA 0.281 4.621 4.340 0.000 0.000 0.267 1374 Q C -0.837 175.124 176.000 -0.065 0.000 1.035 1374 Q CA -0.609 55.081 55.803 -0.188 0.000 0.856 1374 Q CB 1.201 29.896 28.738 -0.072 0.000 1.337 1374 Q HN -0.055 nan 8.270 nan 0.000 0.450 1375 D N 1.450 121.888 120.400 0.065 0.000 2.349 1375 D HA 0.241 4.881 4.640 0.000 0.000 0.266 1375 D C -0.069 176.169 176.300 -0.103 0.000 1.293 1375 D CA 0.216 54.268 54.000 0.086 0.000 0.926 1375 D CB 0.313 41.179 40.800 0.111 0.000 1.090 1375 D HN 0.519 nan 8.370 nan 0.000 0.502 1376 A N 2.963 125.571 122.820 -0.354 0.000 2.587 1376 A HA 0.231 4.551 4.320 0.000 0.000 0.233 1376 A C 1.464 178.970 177.584 -0.130 0.000 1.049 1376 A CA 0.165 51.881 52.037 -0.535 0.000 0.754 1376 A CB -0.041 18.366 19.000 -0.988 0.000 0.977 1376 A HN 0.645 nan 8.150 nan 0.000 0.509 1377 T N 1.270 115.822 114.554 -0.003 0.000 5.825 1377 T HA 0.194 4.544 4.350 0.000 0.000 0.383 1377 T C 0.859 175.625 174.700 0.111 0.000 0.920 1377 T CA 0.656 62.807 62.100 0.085 0.000 0.947 1377 T CB -0.105 68.872 68.868 0.182 0.000 1.292 1377 T HN 0.665 nan 8.240 nan 0.000 0.356 1378 M N 1.741 121.422 119.600 0.135 0.000 2.156 1378 M HA 0.349 4.829 4.480 0.000 0.000 0.345 1378 M C -0.893 175.504 176.300 0.162 0.000 1.398 1378 M CA -0.026 55.318 55.300 0.074 0.000 1.148 1378 M CB -0.097 32.442 32.600 -0.102 0.000 1.663 1378 M HN 0.605 nan 8.290 nan 0.000 0.464 1379 S N 4.242 119.998 115.700 0.094 0.000 2.786 1379 S HA 0.806 5.276 4.470 0.000 0.000 0.307 1379 S C -0.839 173.693 174.600 -0.114 0.000 1.121 1379 S CA -0.720 57.475 58.200 -0.007 0.000 0.975 1379 S CB 1.368 64.573 63.200 0.008 0.000 1.220 1379 S HN 0.637 nan 8.310 nan 0.000 0.550 1380 I N 0.804 121.133 120.570 -0.403 0.000 2.647 1380 I HA 0.422 4.593 4.170 0.000 0.000 0.295 1380 I C -1.196 174.635 176.117 -0.476 0.000 1.078 1380 I CA -0.167 60.853 61.300 -0.466 0.000 1.048 1380 I CB 1.553 39.179 38.000 -0.625 0.000 1.239 1380 I HN 0.367 nan 8.210 nan 0.000 0.421 1381 L N 4.682 125.698 121.223 -0.344 0.000 2.301 1381 L HA 0.399 4.740 4.340 0.000 0.000 0.278 1381 L C -0.815 175.936 176.870 -0.198 0.000 1.022 1381 L CA -0.413 54.288 54.840 -0.231 0.000 0.854 1381 L CB 0.884 42.849 42.059 -0.155 0.000 1.226 1381 L HN 0.506 nan 8.230 nan 0.000 0.429 1382 D N 4.855 125.186 120.400 -0.115 0.000 2.347 1382 D HA 0.394 5.034 4.640 0.000 0.000 0.235 1382 D C -0.457 175.827 176.300 -0.027 0.000 1.149 1382 D CA -0.019 53.950 54.000 -0.053 0.000 0.850 1382 D CB 0.756 41.582 40.800 0.044 0.000 1.061 1382 D HN 0.240 nan 8.370 nan 0.000 0.487 1383 I N 2.157 122.715 120.570 -0.021 0.000 2.441 1383 I HA 0.279 4.449 4.170 0.000 0.000 0.295 1383 I C 0.015 176.168 176.117 0.059 0.000 0.994 1383 I CA -0.875 60.451 61.300 0.044 0.000 1.144 1383 I CB 1.921 39.968 38.000 0.079 0.000 1.314 1383 I HN 0.308 nan 8.210 nan 0.000 0.445 1384 S N 6.567 122.331 115.700 0.107 0.000 2.596 1384 S HA 0.570 5.040 4.470 0.000 0.000 0.318 1384 S C -0.348 174.334 174.600 0.137 0.000 1.097 1384 S CA -1.011 57.239 58.200 0.083 0.000 1.080 1384 S CB 1.238 64.464 63.200 0.043 0.000 0.991 1384 S HN 0.394 nan 8.310 nan 0.000 0.471 1385 M N 2.740 122.419 119.600 0.132 0.000 2.207 1385 M HA 0.248 4.729 4.480 0.000 0.000 0.311 1385 M C 0.326 176.686 176.300 0.099 0.000 1.127 1385 M CA 0.417 55.825 55.300 0.180 0.000 1.181 1385 M CB -0.139 32.570 32.600 0.182 0.000 1.409 1385 M HN 0.675 nan 8.290 nan 0.000 0.461 1386 M N 0.962 120.623 119.600 0.102 0.000 2.143 1386 M HA 0.071 4.551 4.480 0.000 0.000 0.348 1386 M C 0.566 177.004 176.300 0.229 0.000 1.375 1386 M CA -0.104 55.232 55.300 0.060 0.000 1.124 1386 M CB 0.213 32.760 32.600 -0.088 0.000 1.669 1386 M HN 0.673 nan 8.290 nan 0.000 0.469 1387 T N 3.520 118.147 114.554 0.121 0.000 2.419 1387 T HA 0.039 4.389 4.350 0.000 0.000 0.229 1387 T C 1.091 175.843 174.700 0.087 0.000 1.095 1387 T CA 1.765 63.909 62.100 0.074 0.000 1.402 1387 T CB -0.676 68.222 68.868 0.052 0.000 1.078 1387 T HN 1.068 nan 8.240 nan 0.000 0.485 1388 G N 3.780 112.564 108.800 -0.028 0.000 2.145 1388 G HA2 -0.086 3.874 3.960 0.000 0.000 0.145 1388 G HA3 -0.086 3.874 3.960 0.000 0.000 0.145 1388 G C -0.263 174.408 174.900 -0.381 0.000 1.017 1388 G CA -0.455 44.453 45.100 -0.321 0.000 0.682 1388 G HN 0.688 nan 8.290 nan 0.000 0.504 1389 F N 0.458 120.472 119.950 0.105 0.000 2.561 1389 F HA 0.740 5.267 4.527 0.000 0.000 0.313 1389 F C 0.192 176.068 175.800 0.126 0.000 1.126 1389 F CA -0.270 57.839 58.000 0.182 0.000 0.918 1389 F CB 2.447 41.514 39.000 0.113 0.000 1.199 1389 F HN 0.407 nan 8.300 nan 0.000 0.444 1390 A N 4.456 127.318 122.820 0.069 0.000 2.343 1390 A HA 0.867 5.187 4.320 0.000 0.000 0.316 1390 A C -2.924 174.520 177.584 -0.233 0.000 1.104 1390 A CA -2.072 49.745 52.037 -0.366 0.000 0.768 1390 A CB 1.212 19.495 19.000 -1.195 0.000 1.213 1390 A HN 0.372 nan 8.150 nan 0.000 0.456 1391 P HA 0.071 nan 4.420 nan 0.000 0.266 1391 P C -0.637 176.787 177.300 0.206 0.000 1.195 1391 P CA 0.130 63.321 63.100 0.152 0.000 0.768 1391 P CB 0.471 32.161 31.700 -0.016 0.000 0.838 1392 D N 1.279 121.897 120.400 0.364 0.000 2.401 1392 D HA -0.020 4.621 4.640 0.000 0.000 0.254 1392 D C 1.246 177.684 176.300 0.230 0.000 1.192 1392 D CA 0.349 54.608 54.000 0.433 0.000 0.885 1392 D CB 0.534 41.587 40.800 0.422 0.000 1.147 1392 D HN 0.351 nan 8.370 nan 0.000 0.478 1393 T N 1.079 115.761 114.554 0.214 0.000 2.652 1393 T HA -0.240 4.111 4.350 0.000 0.000 0.267 1393 T C 1.258 175.995 174.700 0.060 0.000 1.039 1393 T CA 1.323 63.482 62.100 0.098 0.000 1.153 1393 T CB -0.223 68.694 68.868 0.083 0.000 0.863 1393 T HN 0.319 nan 8.240 nan 0.000 0.428 1394 D N 1.755 122.202 120.400 0.078 0.000 2.123 1394 D HA -0.070 4.570 4.640 0.000 0.000 0.196 1394 D C 1.951 178.284 176.300 0.055 0.000 0.992 1394 D CA 1.362 55.395 54.000 0.055 0.000 0.833 1394 D CB -0.639 40.196 40.800 0.059 0.000 0.954 1394 D HN 0.444 nan 8.370 nan 0.000 0.455 1395 D N -0.123 120.329 120.400 0.087 0.000 2.178 1395 D HA -0.061 4.580 4.640 0.000 0.000 0.202 1395 D C 2.228 178.544 176.300 0.026 0.000 0.974 1395 D CA 0.312 54.364 54.000 0.086 0.000 0.841 1395 D CB -0.220 40.678 40.800 0.163 0.000 0.953 1395 D HN 0.219 nan 8.370 nan 0.000 0.478 1396 L N 0.095 121.305 121.223 -0.021 0.000 2.093 1396 L HA -0.148 4.192 4.340 0.000 0.000 0.208 1396 L C 2.139 178.971 176.870 -0.064 0.000 1.085 1396 L CA 0.943 55.725 54.840 -0.098 0.000 0.755 1396 L CB -0.223 41.758 42.059 -0.131 0.000 0.904 1396 L HN -0.087 nan 8.230 nan 0.000 0.435 1397 K N -0.079 120.303 120.400 -0.030 0.000 2.097 1397 K HA -0.225 4.095 4.320 0.000 0.000 0.206 1397 K C 2.056 178.650 176.600 -0.010 0.000 1.049 1397 K CA 1.140 57.415 56.287 -0.021 0.000 0.933 1397 K CB -0.290 32.206 32.500 -0.007 0.000 0.717 1397 K HN 0.097 nan 8.250 nan 0.000 0.442 1398 Q N 0.553 120.355 119.800 0.002 0.000 2.050 1398 Q HA -0.018 4.322 4.340 0.000 0.000 0.202 1398 Q C 1.740 177.744 176.000 0.008 0.000 0.980 1398 Q CA 1.559 57.369 55.803 0.012 0.000 0.840 1398 Q CB -0.182 28.571 28.738 0.025 0.000 0.898 1398 Q HN 0.314 nan 8.270 nan 0.000 0.424 1399 L N -0.279 120.943 121.223 -0.002 0.000 2.201 1399 L HA -0.055 4.285 4.340 0.000 0.000 0.212 1399 L C 2.293 179.156 176.870 -0.012 0.000 1.105 1399 L CA 0.769 55.606 54.840 -0.005 0.000 0.775 1399 L CB -0.643 41.401 42.059 -0.025 0.000 0.913 1399 L HN 0.289 nan 8.230 nan 0.000 0.440 1400 A N 0.619 123.422 122.820 -0.028 0.000 1.854 1400 A HA -0.171 4.149 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 1.608 53.629 52.037 -0.027 0.000 0.611 1400 A CB -0.679 18.284 19.000 -0.062 0.000 0.832 1400 A HN 0.466 nan 8.150 nan 0.000 0.442 1401 N N 0.091 118.798 118.700 0.012 0.000 2.289 1401 N HA -0.043 4.697 4.740 0.000 0.000 0.184 1401 N C 1.041 176.568 175.510 0.029 0.000 1.016 1401 N CA 0.220 53.283 53.050 0.023 0.000 0.872 1401 N CB -0.237 38.259 38.487 0.016 0.000 0.973 1401 N HN 0.478 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 0.210 4.170 3.960 0.000 0.000 0.239 1402 G HA3 0.210 4.170 3.960 0.000 0.000 0.239 1402 G C 0.008 174.930 174.900 0.038 0.000 1.291 1402 G CA -0.355 44.762 45.100 0.028 0.000 0.863 1402 G HN 0.006 nan 8.290 nan 0.000 0.560 1403 V N 2.385 122.318 119.914 0.032 0.000 3.096 1403 V HA 0.187 4.307 4.120 0.000 0.000 0.306 1403 V C 1.003 177.120 176.094 0.037 0.000 1.088 1403 V CA 1.006 63.325 62.300 0.033 0.000 1.129 1403 V CB 0.835 32.671 31.823 0.021 0.000 1.014 1403 V HN 1.019 nan 8.190 nan 0.000 0.486 1404 D N 1.601 122.024 120.400 0.038 0.000 2.946 1404 D HA -0.150 4.490 4.640 0.000 0.000 0.202 1404 D C 0.240 176.578 176.300 0.063 0.000 1.068 1404 D CA 1.452 55.477 54.000 0.041 0.000 1.011 1404 D CB -0.696 40.124 40.800 0.034 0.000 1.105 1404 D HN 0.743 nan 8.370 nan 0.000 0.425 1405 R N -0.599 119.949 120.500 0.080 0.000 2.795 1405 R HA 0.666 5.006 4.340 0.000 0.000 0.275 1405 R C -1.099 175.310 176.300 0.181 0.000 0.981 1405 R CA -0.826 55.337 56.100 0.105 0.000 0.917 1405 R CB 2.525 32.861 30.300 0.058 0.000 1.202 1405 R HN 0.093 nan 8.270 nan 0.000 0.469 1406 Y N 2.012 122.345 120.300 0.056 0.000 2.442 1406 Y HA 0.500 5.050 4.550 0.000 0.000 0.330 1406 Y C -1.750 174.231 175.900 0.134 0.000 1.100 1406 Y CA -0.743 57.401 58.100 0.072 0.000 1.034 1406 Y CB 1.461 39.952 38.460 0.051 0.000 1.285 1406 Y HN 0.515 nan 8.280 nan 0.000 0.440 1407 I N 6.087 126.250 120.570 -0.678 0.000 2.468 1407 I HA 0.267 4.438 4.170 0.000 0.000 0.284 1407 I C -0.272 175.386 176.117 -0.764 0.000 1.038 1407 I CA -0.962 59.995 61.300 -0.572 0.000 1.083 1407 I CB 1.954 39.788 38.000 -0.277 0.000 1.223 1407 I HN 0.761 nan 8.210 nan 0.000 0.443 1408 S N 4.710 119.999 115.700 -0.685 0.000 2.558 1408 S HA -0.045 4.425 4.470 0.000 0.000 0.291 1408 S C 1.195 175.742 174.600 -0.088 0.000 1.306 1408 S CA -0.233 57.799 58.200 -0.280 0.000 1.056 1408 S CB 1.109 64.351 63.200 0.071 0.000 0.836 1408 S HN 0.855 nan 8.310 nan 0.000 0.504 1409 K N 1.647 122.049 120.400 0.004 0.000 2.160 1409 K HA -0.243 4.077 4.320 0.000 0.000 0.206 1409 K C 1.692 178.317 176.600 0.041 0.000 1.047 1409 K CA 1.613 57.911 56.287 0.018 0.000 0.930 1409 K CB -0.382 32.147 32.500 0.047 0.000 0.720 1409 K HN 0.841 nan 8.250 nan 0.000 0.450 1410 Y N 1.312 121.600 120.300 -0.021 0.000 2.256 1410 Y HA -0.228 4.322 4.550 0.000 0.000 0.288 1410 Y C 2.040 177.918 175.900 -0.037 0.000 1.155 1410 Y CA 2.058 60.148 58.100 -0.015 0.000 1.203 1410 Y CB 0.080 38.545 38.460 0.008 0.000 0.980 1410 Y HN 0.216 nan 8.280 nan 0.000 0.530 1411 E N -0.527 119.735 120.200 0.104 0.000 2.230 1411 E HA -0.060 4.290 4.350 0.000 0.000 0.192 1411 E C 1.689 178.242 176.600 -0.078 0.000 0.987 1411 E CA 0.561 56.968 56.400 0.012 0.000 0.841 1411 E CB -0.188 29.509 29.700 -0.004 0.000 0.783 1411 E HN 0.370 nan 8.360 nan 0.000 0.481 1412 L N 1.325 122.500 121.223 -0.081 0.000 1.937 1412 L HA -0.128 4.212 4.340 0.000 0.000 0.213 1412 L C 0.968 177.784 176.870 -0.090 0.000 1.077 1412 L CA 1.981 56.770 54.840 -0.085 0.000 0.758 1412 L CB -0.883 41.134 42.059 -0.069 0.000 0.888 1412 L HN 0.233 nan 8.230 nan 0.000 0.433 1413 D N -0.669 119.670 120.400 -0.102 0.000 2.982 1413 D HA -0.044 4.596 4.640 0.000 0.000 0.238 1413 D C 0.873 177.088 176.300 -0.142 0.000 1.168 1413 D CA 0.222 54.160 54.000 -0.104 0.000 0.947 1413 D CB -0.483 40.261 40.800 -0.094 0.000 1.147 1413 D HN 0.292 nan 8.370 nan 0.000 0.450 1414 K N 0.195 120.512 120.400 -0.139 0.000 2.379 1414 K HA 0.337 4.657 4.320 0.000 0.000 0.194 1414 K C 0.539 177.070 176.600 -0.115 0.000 1.031 1414 K CA 0.399 56.594 56.287 -0.153 0.000 1.037 1414 K CB 0.170 32.579 32.500 -0.153 0.000 0.824 1414 K HN 0.398 nan 8.250 nan 0.000 0.516 1415 A N 0.607 123.381 122.820 -0.077 0.000 2.770 1415 A HA -0.252 4.068 4.320 0.000 0.000 0.674 1415 A C 0.444 178.009 177.584 -0.032 0.000 0.315 1415 A CA 0.086 52.104 52.037 -0.032 0.000 0.133 1415 A CB -1.452 17.522 19.000 -0.044 0.000 3.903 1415 A HN 0.294 nan 8.150 nan 0.000 0.543 1416 F N 1.142 120.988 119.950 -0.172 0.000 2.333 1416 F HA -0.070 4.457 4.527 0.000 0.000 0.300 1416 F C 2.630 178.177 175.800 -0.422 0.000 1.083 1416 F CA 2.471 60.319 58.000 -0.252 0.000 1.395 1416 F CB -0.140 38.720 39.000 -0.234 0.000 1.056 1416 F HN 0.840 nan 8.300 nan 0.000 0.529 1417 S N -0.719 114.872 115.700 -0.181 0.000 2.353 1417 S HA -0.221 4.249 4.470 0.000 0.000 0.222 1417 S C 0.650 175.083 174.600 -0.279 0.000 1.035 1417 S CA 1.784 59.843 58.200 -0.235 0.000 1.025 1417 S CB -0.305 62.828 63.200 -0.111 0.000 0.902 1417 S HN 0.398 nan 8.310 nan 0.000 0.440 1418 D N -0.455 119.815 120.400 -0.217 0.000 2.323 1418 D HA 0.380 5.020 4.640 0.000 0.000 0.242 1418 D C -0.400 175.807 176.300 -0.155 0.000 1.347 1418 D CA -0.339 53.560 54.000 -0.167 0.000 0.988 1418 D CB 0.578 41.305 40.800 -0.122 0.000 1.314 1418 D HN 0.240 nan 8.370 nan 0.000 0.564 1419 R N 3.463 123.869 120.500 -0.156 0.000 2.452 1419 R HA 0.019 4.359 4.340 0.000 0.000 0.361 1419 R C 0.445 176.694 176.300 -0.086 0.000 0.918 1419 R CA -0.092 55.934 56.100 -0.124 0.000 1.080 1419 R CB -0.134 30.075 30.300 -0.152 0.000 1.471 1419 R HN 0.297 nan 8.270 nan 0.000 0.633 1420 N N -0.247 118.416 118.700 -0.062 0.000 2.272 1420 N HA -0.112 4.628 4.740 0.000 0.000 0.185 1420 N C 0.341 175.844 175.510 -0.011 0.000 1.014 1420 N CA 1.608 54.646 53.050 -0.020 0.000 0.870 1420 N CB -0.204 38.263 38.487 -0.033 0.000 0.975 1420 N HN 0.256 nan 8.380 nan 0.000 0.433 1421 T N -1.639 112.896 114.554 -0.032 0.000 2.779 1421 T HA 0.596 4.946 4.350 0.000 0.000 0.280 1421 T C -0.514 174.160 174.700 -0.043 0.000 0.987 1421 T CA -1.055 61.029 62.100 -0.026 0.000 0.966 1421 T CB 1.658 70.507 68.868 -0.031 0.000 0.933 1421 T HN 0.108 nan 8.240 nan 0.000 0.442 1422 L N 3.410 124.603 121.223 -0.051 0.000 2.354 1422 L HA 0.766 5.106 4.340 0.000 0.000 0.269 1422 L C -1.303 175.485 176.870 -0.137 0.000 1.005 1422 L CA -1.271 53.507 54.840 -0.104 0.000 0.819 1422 L CB 1.659 43.632 42.059 -0.142 0.000 1.311 1422 L HN 0.807 nan 8.230 nan 0.000 0.423 1423 I N 5.960 126.412 120.570 -0.196 0.000 2.468 1423 I HA 0.375 4.545 4.170 0.000 0.000 0.284 1423 I C -0.910 174.947 176.117 -0.432 0.000 1.038 1423 I CA -0.284 60.817 61.300 -0.331 0.000 1.083 1423 I CB 1.553 39.325 38.000 -0.381 0.000 1.223 1423 I HN 0.448 nan 8.210 nan 0.000 0.443 1424 I N 6.610 126.947 120.570 -0.388 0.000 2.337 1424 I HA 0.259 4.429 4.170 0.000 0.000 0.285 1424 I C -0.695 175.265 176.117 -0.261 0.000 1.041 1424 I CA -0.624 60.508 61.300 -0.280 0.000 1.199 1424 I CB 0.460 38.352 38.000 -0.180 0.000 1.370 1424 I HN 0.396 nan 8.210 nan 0.000 0.470 1425 Y N 6.442 126.738 120.300 -0.007 0.000 2.402 1425 Y HA 0.310 4.860 4.550 0.000 0.000 0.333 1425 Y C 0.269 176.193 175.900 0.040 0.000 1.076 1425 Y CA -0.176 57.948 58.100 0.040 0.000 1.299 1425 Y CB 0.465 39.035 38.460 0.183 0.000 1.197 1425 Y HN 0.365 nan 8.280 nan 0.000 0.517 1426 L N 3.667 124.968 121.223 0.129 0.000 2.317 1426 L HA 0.312 4.653 4.340 0.000 0.000 0.281 1426 L C 0.216 177.134 176.870 0.080 0.000 1.024 1426 L CA -0.675 54.218 54.840 0.087 0.000 0.810 1426 L CB 1.508 43.597 42.059 0.049 0.000 1.240 1426 L HN 0.620 nan 8.230 nan 0.000 0.427 1427 D N 1.305 121.742 120.400 0.061 0.000 2.289 1427 D HA -0.002 4.638 4.640 0.000 0.000 0.207 1427 D C 0.057 176.376 176.300 0.032 0.000 0.966 1427 D CA 0.991 55.009 54.000 0.028 0.000 0.868 1427 D CB 0.319 41.127 40.800 0.014 0.000 0.943 1427 D HN 0.521 nan 8.370 nan 0.000 0.514 1428 K N -1.496 118.932 120.400 0.047 0.000 2.660 1428 K HA 0.489 4.809 4.320 0.000 0.000 0.285 1428 K C -1.513 175.127 176.600 0.067 0.000 0.997 1428 K CA -1.061 55.254 56.287 0.048 0.000 0.861 1428 K CB 1.762 34.282 32.500 0.033 0.000 1.469 1428 K HN -0.174 nan 8.250 nan 0.000 0.395 1429 V N -1.695 118.263 119.914 0.073 0.000 2.569 1429 V HA 0.546 4.666 4.120 0.000 0.000 0.301 1429 V C -0.036 176.119 176.094 0.101 0.000 1.044 1429 V CA -0.722 61.643 62.300 0.108 0.000 0.874 1429 V CB 1.242 33.187 31.823 0.203 0.000 1.002 1429 V HN 0.895 nan 8.190 nan 0.000 0.424 1430 S N 2.246 117.996 115.700 0.083 0.000 2.566 1430 S HA 0.172 4.642 4.470 0.000 0.000 0.280 1430 S C 0.955 175.623 174.600 0.113 0.000 1.343 1430 S CA 0.993 59.230 58.200 0.061 0.000 1.036 1430 S CB 0.262 63.459 63.200 -0.006 0.000 0.866 1430 S HN 1.389 nan 8.310 nan 0.000 0.526 1431 H N 0.756 119.870 119.070 0.074 0.000 2.740 1431 H HA 0.464 5.020 4.556 0.000 0.000 0.265 1431 H C 1.505 176.858 175.328 0.041 0.000 0.978 1431 H CA 0.527 56.626 56.048 0.084 0.000 1.198 1431 H CB -0.092 29.744 29.762 0.124 0.000 1.467 1431 H HN 0.344 nan 8.280 nan 0.000 0.511 1432 S N 0.018 115.443 115.700 -0.458 0.000 2.324 1432 S HA 0.030 4.501 4.470 0.000 0.000 0.210 1432 S C 0.555 175.088 174.600 -0.112 0.000 1.027 1432 S CA 0.935 58.956 58.200 -0.297 0.000 0.945 1432 S CB 0.063 63.062 63.200 -0.335 0.000 0.908 1432 S HN 0.668 nan 8.310 nan 0.000 0.496 1433 E N 1.193 121.339 120.200 -0.090 0.000 2.518 1433 E HA 0.532 4.883 4.350 0.000 0.000 0.248 1433 E C -1.578 175.016 176.600 -0.009 0.000 1.028 1433 E CA -0.917 55.461 56.400 -0.037 0.000 0.922 1433 E CB -0.030 29.651 29.700 -0.032 0.000 1.299 1433 E HN -0.112 nan 8.360 nan 0.000 0.457 1434 D N 0.297 120.700 120.400 0.005 0.000 2.233 1434 D HA 0.292 4.932 4.640 0.000 0.000 0.240 1434 D C -0.970 175.345 176.300 0.025 0.000 1.074 1434 D CA -0.441 53.573 54.000 0.024 0.000 0.838 1434 D CB 0.851 41.664 40.800 0.023 0.000 1.124 1434 D HN 0.229 nan 8.370 nan 0.000 0.475 1435 D N 1.545 121.970 120.400 0.041 0.000 2.365 1435 D HA 0.185 4.826 4.640 0.000 0.000 0.237 1435 D C -0.348 175.974 176.300 0.037 0.000 1.190 1435 D CA -0.114 53.909 54.000 0.039 0.000 0.867 1435 D CB 0.393 41.224 40.800 0.052 0.000 1.050 1435 D HN 0.194 nan 8.370 nan 0.000 0.491 1436 c N 3.192 121.806 118.600 0.024 0.000 2.382 1436 c HA 0.765 5.335 4.570 0.000 0.000 0.327 1436 c C -0.128 173.973 174.090 0.019 0.000 1.250 1436 c CA -0.853 55.486 56.329 0.017 0.000 1.707 1436 c CB -0.020 42.492 42.510 0.004 0.000 2.272 1436 c HN 0.542 nan 8.230 nan 0.000 0.506 1437 L N 1.151 122.388 121.223 0.023 0.000 2.359 1437 L HA 1.100 5.441 4.340 0.000 0.000 0.256 1437 L C -0.465 176.427 176.870 0.036 0.000 1.026 1437 L CA -0.830 54.036 54.840 0.043 0.000 0.828 1437 L CB 1.347 43.448 42.059 0.069 0.000 1.406 1437 L HN 0.798 nan 8.230 nan 0.000 0.413 1438 A N 1.065 123.922 122.820 0.060 0.000 2.574 1438 A HA 0.909 5.229 4.320 0.000 0.000 0.297 1438 A C -1.416 176.229 177.584 0.101 0.000 1.062 1438 A CA -0.422 51.606 52.037 -0.015 0.000 0.686 1438 A CB 1.312 20.262 19.000 -0.083 0.000 1.285 1438 A HN 1.255 nan 8.150 nan 0.000 0.403 1439 F N -0.666 119.246 119.950 -0.064 0.000 2.626 1439 F HA 0.785 5.313 4.527 0.000 0.000 0.311 1439 F C -0.490 175.276 175.800 -0.057 0.000 1.088 1439 F CA -1.114 56.859 58.000 -0.044 0.000 0.949 1439 F CB 1.294 40.272 39.000 -0.036 0.000 1.322 1439 F HN 0.460 nan 8.300 nan 0.000 0.461 1440 K N 1.711 122.180 120.400 0.115 0.000 2.185 1440 K HA 0.682 5.002 4.320 0.000 0.000 0.271 1440 K C -0.930 175.683 176.600 0.023 0.000 1.013 1440 K CA -0.911 55.358 56.287 -0.030 0.000 0.943 1440 K CB 1.906 34.392 32.500 -0.024 0.000 0.998 1440 K HN 0.674 nan 8.250 nan 0.000 0.468 1441 V N -0.903 118.936 119.914 -0.124 0.000 2.709 1441 V HA 0.469 4.589 4.120 0.000 0.000 0.308 1441 V C -0.815 175.304 176.094 0.041 0.000 1.062 1441 V CA -0.921 61.413 62.300 0.057 0.000 0.901 1441 V CB 1.659 33.557 31.823 0.124 0.000 1.003 1441 V HN 0.727 nan 8.190 nan 0.000 0.425 1442 H N 2.531 121.915 119.070 0.523 0.000 2.621 1442 H HA 0.516 5.072 4.556 0.000 0.000 0.360 1442 H C -1.061 174.450 175.328 0.305 0.000 1.163 1442 H CA -0.564 55.784 56.048 0.500 0.000 1.194 1442 H CB 2.703 32.809 29.762 0.574 0.000 1.649 1442 H HN 0.842 nan 8.280 nan 0.000 0.532 1443 Q N 1.810 121.660 119.800 0.083 0.000 2.303 1443 Q HA 0.119 4.459 4.340 0.000 0.000 0.257 1443 Q C -0.602 175.402 176.000 0.007 0.000 0.941 1443 Q CA -0.540 54.970 55.803 -0.488 0.000 0.931 1443 Q CB 0.534 28.846 28.738 -0.711 0.000 1.215 1443 Q HN 0.781 nan 8.270 nan 0.000 0.437 1444 Y N 2.414 122.698 120.300 -0.028 0.000 2.453 1444 Y HA 0.439 4.990 4.550 0.000 0.000 0.247 1444 Y C -0.843 175.146 175.900 0.148 0.000 1.124 1444 Y CA -0.689 57.488 58.100 0.129 0.000 1.243 1444 Y CB 0.708 39.352 38.460 0.306 0.000 1.213 1444 Y HN 0.431 nan 8.280 nan 0.000 0.523 1445 F N 3.687 123.195 119.950 -0.737 0.000 2.824 1445 F HA 0.340 4.867 4.527 0.000 0.000 0.375 1445 F C -0.320 175.257 175.800 -0.372 0.000 1.190 1445 F CA -1.567 56.064 58.000 -0.615 0.000 1.180 1445 F CB 0.377 38.813 39.000 -0.940 0.000 1.477 1445 F HN 0.088 nan 8.300 nan 0.000 0.542 1446 N N 3.544 122.057 118.700 -0.312 0.000 2.454 1446 N HA 0.291 5.031 4.740 0.000 0.000 0.260 1446 N C -1.348 174.067 175.510 -0.158 0.000 1.218 1446 N CA 0.636 53.567 53.050 -0.197 0.000 0.904 1446 N CB 1.105 39.493 38.487 -0.165 0.000 1.065 1446 N HN 0.360 nan 8.380 nan 0.000 0.462 1447 V N 2.567 122.446 119.914 -0.058 0.000 2.950 1447 V HA 0.122 4.242 4.120 0.000 0.000 0.295 1447 V C -0.749 175.364 176.094 0.031 0.000 1.297 1447 V CA -0.995 61.301 62.300 -0.007 0.000 0.962 1447 V CB 2.025 33.877 31.823 0.048 0.000 1.081 1447 V HN 0.810 nan 8.190 nan 0.000 0.432 1448 E N 5.273 125.494 120.200 0.035 0.000 2.331 1448 E HA 0.675 5.025 4.350 0.000 0.000 0.272 1448 E C -0.543 176.107 176.600 0.082 0.000 1.036 1448 E CA -0.539 55.893 56.400 0.053 0.000 0.864 1448 E CB 1.251 30.976 29.700 0.040 0.000 1.035 1448 E HN 0.621 nan 8.360 nan 0.000 0.408 1449 L N 2.096 123.378 121.223 0.098 0.000 3.162 1449 L HA -0.234 4.106 4.340 0.000 0.000 0.673 1449 L C -0.508 176.455 176.870 0.155 0.000 1.045 1449 L CA 0.076 54.990 54.840 0.124 0.000 1.297 1449 L CB -1.625 40.496 42.059 0.103 0.000 1.732 1449 L HN 0.698 nan 8.230 nan 0.000 0.855 1450 I N -0.539 120.142 120.570 0.184 0.000 2.577 1450 I HA 0.495 4.665 4.170 0.000 0.000 0.300 1450 I C 0.440 176.672 176.117 0.192 0.000 0.990 1450 I CA -0.139 61.267 61.300 0.176 0.000 1.283 1450 I CB 1.122 39.210 38.000 0.147 0.000 1.411 1450 I HN 0.447 nan 8.210 nan 0.000 0.515 1451 Q N 5.185 125.075 119.800 0.151 0.000 2.288 1451 Q HA 0.424 4.764 4.340 0.000 0.000 0.258 1451 Q C -2.334 173.697 176.000 0.053 0.000 0.957 1451 Q CA -1.894 53.970 55.803 0.102 0.000 0.919 1451 Q CB 0.902 29.705 28.738 0.108 0.000 1.185 1451 Q HN 0.496 nan 8.270 nan 0.000 0.408 1452 P HA -0.019 nan 4.420 nan 0.000 0.264 1452 P C -0.300 176.900 177.300 -0.167 0.000 1.193 1452 P CA 0.174 63.262 63.100 -0.020 0.000 0.763 1452 P CB 0.684 32.372 31.700 -0.019 0.000 0.810 1453 G N 1.892 110.335 108.800 -0.594 0.000 2.588 1453 G HA2 0.556 4.516 3.960 0.000 0.000 0.278 1453 G HA3 0.556 4.516 3.960 0.000 0.000 0.278 1453 G C -0.931 173.815 174.900 -0.258 0.000 1.307 1453 G CA -0.081 44.618 45.100 -0.669 0.000 1.016 1453 G HN 0.678 nan 8.290 nan 0.000 0.503 1454 A N -1.842 120.987 122.820 0.016 0.000 2.577 1454 A HA 0.607 4.927 4.320 0.000 0.000 0.297 1454 A C -1.388 176.221 177.584 0.041 0.000 1.060 1454 A CA -0.391 51.626 52.037 -0.034 0.000 0.697 1454 A CB 1.712 20.608 19.000 -0.175 0.000 1.281 1454 A HN 1.244 nan 8.150 nan 0.000 0.402 1455 V N 1.895 121.773 119.914 -0.060 0.000 2.577 1455 V HA 0.589 4.709 4.120 0.000 0.000 0.303 1455 V C -0.156 175.878 176.094 -0.099 0.000 1.042 1455 V CA -0.593 61.685 62.300 -0.035 0.000 0.872 1455 V CB 1.852 33.670 31.823 -0.008 0.000 0.998 1455 V HN 0.917 nan 8.190 nan 0.000 0.423 1456 K N 3.660 124.023 120.400 -0.062 0.000 2.270 1456 K HA 0.833 5.153 4.320 0.000 0.000 0.255 1456 K C -1.126 175.451 176.600 -0.037 0.000 0.936 1456 K CA -0.568 55.697 56.287 -0.038 0.000 0.809 1456 K CB 2.153 34.661 32.500 0.013 0.000 1.131 1456 K HN 0.631 nan 8.250 nan 0.000 0.427 1457 V N 1.460 121.316 119.914 -0.096 0.000 2.680 1457 V HA 0.809 4.929 4.120 0.000 0.000 0.309 1457 V C -1.363 174.446 176.094 -0.475 0.000 1.052 1457 V CA -0.639 61.455 62.300 -0.343 0.000 0.908 1457 V CB 0.779 32.359 31.823 -0.404 0.000 1.001 1457 V HN 0.903 nan 8.190 nan 0.000 0.431 1458 Y N 1.425 121.276 120.300 -0.748 0.000 2.687 1458 Y HA 0.865 5.415 4.550 0.000 0.000 0.338 1458 Y C -0.319 175.387 175.900 -0.323 0.000 1.189 1458 Y CA -0.804 56.921 58.100 -0.626 0.000 1.097 1458 Y CB 0.525 38.809 38.460 -0.293 0.000 1.342 1458 Y HN 1.127 nan 8.280 nan 0.000 0.461 1459 A N 1.631 124.440 122.820 -0.019 0.000 2.313 1459 A HA 0.364 4.684 4.320 0.000 0.000 0.261 1459 A C 0.314 177.887 177.584 -0.019 0.000 1.090 1459 A CA -0.011 51.995 52.037 -0.052 0.000 0.807 1459 A CB -0.228 18.553 19.000 -0.365 0.000 1.055 1459 A HN 1.348 nan 8.150 nan 0.000 0.492 1460 Y N -0.459 119.837 120.300 -0.007 0.000 2.439 1460 Y HA -0.091 4.459 4.550 0.000 0.000 0.292 1460 Y C 1.400 177.383 175.900 0.137 0.000 1.130 1460 Y CA 1.493 59.654 58.100 0.102 0.000 1.254 1460 Y CB -0.595 37.935 38.460 0.118 0.000 1.000 1460 Y HN 0.691 nan 8.280 nan 0.000 0.554 1461 Y N -0.105 119.793 120.300 -0.670 0.000 2.478 1461 Y HA 0.365 4.915 4.550 0.000 0.000 0.261 1461 Y C -0.326 175.470 175.900 -0.174 0.000 1.127 1461 Y CA -0.735 57.025 58.100 -0.566 0.000 1.288 1461 Y CB -0.319 37.713 38.460 -0.713 0.000 1.084 1461 Y HN 0.152 nan 8.280 nan 0.000 0.530 1462 N N 0.495 118.917 118.700 -0.464 0.000 2.454 1462 N HA 0.258 4.998 4.740 0.000 0.000 0.291 1462 N C -0.538 174.900 175.510 -0.121 0.000 1.079 1462 N CA -0.402 52.508 53.050 -0.234 0.000 0.893 1462 N CB 1.562 39.889 38.487 -0.267 0.000 1.512 1462 N HN 0.165 nan 8.380 nan 0.000 0.497 1463 L N 3.460 124.621 121.223 -0.103 0.000 2.357 1463 L HA 0.375 4.715 4.340 0.000 0.000 0.211 1463 L C 1.637 178.416 176.870 -0.151 0.000 1.075 1463 L CA 1.485 56.205 54.840 -0.200 0.000 0.830 1463 L CB -0.114 41.804 42.059 -0.235 0.000 0.996 1463 L HN 0.607 nan 8.230 nan 0.000 0.467 1464 E N 0.940 121.095 120.200 -0.075 0.000 2.038 1464 E HA -0.223 4.127 4.350 0.000 0.000 0.195 1464 E C 0.847 177.444 176.600 -0.005 0.000 1.000 1464 E CA 1.587 57.965 56.400 -0.037 0.000 0.803 1464 E CB -0.320 29.373 29.700 -0.012 0.000 0.750 1464 E HN 0.668 nan 8.360 nan 0.000 0.448 1465 E N 1.360 121.577 120.200 0.028 0.000 2.222 1465 E HA 0.108 4.458 4.350 0.000 0.000 0.312 1465 E C -0.719 175.968 176.600 0.145 0.000 1.263 1465 E CA -0.201 56.256 56.400 0.095 0.000 1.356 1465 E CB -0.210 29.570 29.700 0.132 0.000 1.180 1465 E HN 0.036 nan 8.360 nan 0.000 0.494 1466 S N 0.741 116.481 115.700 0.068 0.000 2.607 1466 S HA 0.589 5.059 4.470 0.000 0.000 0.303 1466 S C -0.667 173.961 174.600 0.046 0.000 1.086 1466 S CA -1.025 57.197 58.200 0.037 0.000 0.995 1466 S CB 1.964 65.131 63.200 -0.055 0.000 1.084 1466 S HN 0.452 nan 8.310 nan 0.000 0.507 1467 c N 1.899 120.514 118.600 0.025 0.000 2.498 1467 c HA 0.842 5.412 4.570 0.000 0.000 0.316 1467 c C -0.582 173.492 174.090 -0.027 0.000 1.209 1467 c CA 0.073 56.422 56.329 0.034 0.000 1.518 1467 c CB 0.743 43.315 42.510 0.104 0.000 2.147 1467 c HN 1.003 nan 8.230 nan 0.000 0.483 1468 T N 5.078 119.598 114.554 -0.058 0.000 2.841 1468 T HA 0.569 4.919 4.350 0.000 0.000 0.285 1468 T C -0.659 173.888 174.700 -0.254 0.000 0.991 1468 T CA -0.473 61.520 62.100 -0.178 0.000 0.966 1468 T CB 1.234 69.962 68.868 -0.234 0.000 0.962 1468 T HN 0.622 nan 8.240 nan 0.000 0.438 1469 R N 1.387 121.715 120.500 -0.287 0.000 2.832 1469 R HA 0.830 5.170 4.340 0.000 0.000 0.271 1469 R C -1.205 174.872 176.300 -0.372 0.000 0.996 1469 R CA -0.949 55.027 56.100 -0.208 0.000 0.977 1469 R CB 0.803 31.089 30.300 -0.022 0.000 1.168 1469 R HN 0.494 nan 8.270 nan 0.000 0.482 1470 F N 1.078 121.089 119.950 0.100 0.000 2.594 1470 F HA 0.573 5.100 4.527 0.000 0.000 0.335 1470 F C -0.491 175.417 175.800 0.179 0.000 1.058 1470 F CA -0.683 57.371 58.000 0.090 0.000 0.981 1470 F CB 1.270 40.270 39.000 0.001 0.000 1.289 1470 F HN 0.443 nan 8.300 nan 0.000 0.490 1471 Y N -0.827 119.601 120.300 0.212 0.000 2.442 1471 Y HA 0.602 5.152 4.550 0.000 0.000 0.330 1471 Y C -1.666 174.303 175.900 0.114 0.000 1.100 1471 Y CA -0.954 57.208 58.100 0.104 0.000 1.034 1471 Y CB 1.192 39.654 38.460 0.003 0.000 1.285 1471 Y HN 0.723 nan 8.280 nan 0.000 0.440 1472 H N 4.626 123.729 119.070 0.054 0.000 2.865 1472 H HA 0.337 4.894 4.556 0.000 0.000 0.362 1472 H C -2.600 172.737 175.328 0.016 0.000 1.114 1472 H CA -2.338 53.698 56.048 -0.021 0.000 1.208 1472 H CB 3.283 33.018 29.762 -0.046 0.000 1.727 1472 H HN 0.510 nan 8.280 nan 0.000 0.534 1473 P HA -0.072 nan 4.420 nan 0.000 0.223 1473 P C 0.244 177.589 177.300 0.075 0.000 1.144 1473 P CA 1.313 64.353 63.100 -0.101 0.000 0.783 1473 P CB 0.675 32.252 31.700 -0.205 0.000 0.771 1474 E N -1.398 119.009 120.200 0.346 0.000 2.870 1474 E HA 0.115 4.465 4.350 0.000 0.000 0.185 1474 E C 0.292 176.999 176.600 0.179 0.000 1.084 1474 E CA -0.308 56.251 56.400 0.265 0.000 1.246 1474 E CB -0.075 29.783 29.700 0.264 0.000 1.382 1474 E HN 0.077 nan 8.360 nan 0.000 0.492 1475 K N 1.918 122.384 120.400 0.111 0.000 2.455 1475 K HA -0.097 4.223 4.320 0.000 0.000 0.269 1475 K C 0.807 177.421 176.600 0.023 0.000 0.972 1475 K CA 0.067 56.315 56.287 -0.065 0.000 0.938 1475 K CB 0.510 32.832 32.500 -0.297 0.000 0.931 1475 K HN 0.048 nan 8.250 nan 0.000 0.507 1476 E N 1.961 122.160 120.200 -0.002 0.000 2.041 1476 E HA -0.266 4.084 4.350 0.000 0.000 0.227 1476 E C 0.261 176.895 176.600 0.057 0.000 1.039 1476 E CA 2.503 58.916 56.400 0.023 0.000 0.904 1476 E CB 0.033 29.737 29.700 0.007 0.000 0.808 1476 E HN 0.753 nan 8.360 nan 0.000 0.510 1477 D N -2.506 117.932 120.400 0.064 0.000 2.952 1477 D HA 0.273 4.913 4.640 0.000 0.000 0.373 1477 D C 0.781 177.179 176.300 0.162 0.000 1.360 1477 D CA 0.380 54.451 54.000 0.119 0.000 0.788 1477 D CB 0.352 41.221 40.800 0.115 0.000 1.192 1477 D HN 0.495 nan 8.370 nan 0.000 0.462 1478 G N 0.638 109.504 108.800 0.109 0.000 2.336 1478 G HA2 -0.334 3.626 3.960 0.000 0.000 0.233 1478 G HA3 -0.334 3.626 3.960 0.000 0.000 0.233 1478 G C 0.363 175.165 174.900 -0.164 0.000 1.053 1478 G CA -0.094 45.040 45.100 0.057 0.000 0.625 1478 G HN 0.412 nan 8.290 nan 0.000 0.511 1479 K N 2.095 122.417 120.400 -0.129 0.000 2.466 1479 K HA 0.437 4.757 4.320 0.000 0.000 0.278 1479 K C 1.451 177.941 176.600 -0.184 0.000 1.048 1479 K CA 0.080 56.252 56.287 -0.192 0.000 1.088 1479 K CB -0.075 32.374 32.500 -0.086 0.000 0.884 1479 K HN 0.493 nan 8.250 nan 0.000 0.478 1480 L N 2.123 123.216 121.223 -0.216 0.000 2.367 1480 L HA -0.011 4.329 4.340 0.000 0.000 0.215 1480 L C 0.567 177.353 176.870 -0.140 0.000 1.197 1480 L CA -0.081 54.648 54.840 -0.186 0.000 0.836 1480 L CB 0.111 42.069 42.059 -0.169 0.000 1.242 1480 L HN 0.588 nan 8.230 nan 0.000 0.553 1481 N N 1.378 120.003 118.700 -0.125 0.000 2.422 1481 N HA 0.316 5.056 4.740 0.000 0.000 0.266 1481 N C -1.152 174.300 175.510 -0.096 0.000 1.007 1481 N CA -0.374 52.615 53.050 -0.101 0.000 0.941 1481 N CB 1.125 39.557 38.487 -0.092 0.000 1.115 1481 N HN 0.413 nan 8.380 nan 0.000 0.492 1482 K N 0.183 120.524 120.400 -0.099 0.000 2.525 1482 K HA 0.429 4.750 4.320 0.000 0.000 0.254 1482 K C -1.409 175.107 176.600 -0.140 0.000 0.934 1482 K CA -0.968 55.251 56.287 -0.114 0.000 0.802 1482 K CB 1.718 34.162 32.500 -0.094 0.000 1.295 1482 K HN 0.131 nan 8.250 nan 0.000 0.433 1483 L N 2.539 123.645 121.223 -0.196 0.000 2.276 1483 L HA 0.496 4.836 4.340 0.000 0.000 0.286 1483 L C -1.456 175.241 176.870 -0.289 0.000 1.061 1483 L CA 0.078 54.756 54.840 -0.270 0.000 0.807 1483 L CB 0.845 42.714 42.059 -0.318 0.000 1.177 1483 L HN 0.898 nan 8.230 nan 0.000 0.429 1484 c N 5.062 123.482 118.600 -0.299 0.000 2.609 1484 c HA 0.665 5.235 4.570 0.000 0.000 0.313 1484 c C -0.349 173.580 174.090 -0.268 0.000 1.175 1484 c CA -0.970 55.243 56.329 -0.193 0.000 1.434 1484 c CB 1.879 44.333 42.510 -0.094 0.000 2.005 1484 c HN 0.874 nan 8.230 nan 0.000 0.471 1485 R N 2.118 122.534 120.500 -0.139 0.000 2.502 1485 R HA 0.451 4.791 4.340 0.000 0.000 0.300 1485 R C -0.340 175.971 176.300 0.018 0.000 0.984 1485 R CA -0.110 55.945 56.100 -0.076 0.000 0.882 1485 R CB 0.842 31.137 30.300 -0.007 0.000 1.180 1485 R HN 0.982 nan 8.270 nan 0.000 0.444 1486 D N 2.495 122.906 120.400 0.019 0.000 4.438 1486 D HA -0.278 4.362 4.640 0.000 0.000 0.158 1486 D C -0.127 176.178 176.300 0.009 0.000 0.686 1486 D CA 2.096 56.108 54.000 0.020 0.000 1.183 1486 D CB -0.284 40.532 40.800 0.027 0.000 0.623 1486 D HN 0.809 nan 8.370 nan 0.000 0.521 1487 E N -0.269 119.935 120.200 0.007 0.000 2.812 1487 E HA 0.322 4.672 4.350 0.000 0.000 0.211 1487 E C -0.440 176.163 176.600 0.004 0.000 0.986 1487 E CA -0.220 56.179 56.400 -0.001 0.000 1.119 1487 E CB 0.943 30.634 29.700 -0.014 0.000 1.046 1487 E HN 0.063 nan 8.360 nan 0.000 0.474 1488 L N 1.626 122.874 121.223 0.042 0.000 2.337 1488 L HA 0.352 4.692 4.340 0.000 0.000 0.269 1488 L C -1.075 175.984 176.870 0.315 0.000 1.018 1488 L CA -0.439 54.466 54.840 0.109 0.000 0.876 1488 L CB 0.497 42.577 42.059 0.035 0.000 1.236 1488 L HN 0.048 nan 8.230 nan 0.000 0.436 1489 c N 3.982 122.750 118.600 0.281 0.000 2.529 1489 c HA 0.901 5.471 4.570 0.000 0.000 0.329 1489 c C 0.094 174.337 174.090 0.255 0.000 1.194 1489 c CA -0.877 55.564 56.329 0.187 0.000 1.779 1489 c CB 1.786 44.322 42.510 0.044 0.000 2.322 1489 c HN 0.887 nan 8.230 nan 0.000 0.500 1490 R N 0.223 120.679 120.500 -0.074 0.000 2.836 1490 R HA 0.640 4.980 4.340 0.000 0.000 0.269 1490 R C -1.012 175.202 176.300 -0.143 0.000 1.010 1490 R CA -0.497 55.494 56.100 -0.181 0.000 0.930 1490 R CB 0.610 30.435 30.300 -0.792 0.000 1.218 1490 R HN 0.666 nan 8.270 nan 0.000 0.473 1491 c N 2.503 121.054 118.600 -0.081 0.000 2.485 1491 c HA 0.390 4.960 4.570 0.000 0.000 0.408 1491 c C 1.428 175.469 174.090 -0.081 0.000 1.034 1491 c CA 0.058 56.357 56.329 -0.051 0.000 1.267 1491 c CB -1.574 40.947 42.510 0.018 0.000 1.703 1491 c HN 0.788 nan 8.230 nan 0.000 0.530 1492 A N 3.598 126.352 122.820 -0.112 0.000 2.252 1492 A HA 0.083 4.403 4.320 0.000 0.000 0.207 1492 A C 1.245 178.785 177.584 -0.073 0.000 1.194 1492 A CA 0.461 52.433 52.037 -0.109 0.000 0.809 1492 A CB -0.287 18.638 19.000 -0.126 0.000 0.814 1492 A HN 0.840 nan 8.150 nan 0.000 0.482 1493 E N 1.840 122.003 120.200 -0.061 0.000 1.896 1493 E HA 0.078 4.428 4.350 0.000 0.000 0.276 1493 E C 0.217 176.799 176.600 -0.031 0.000 1.171 1493 E CA 0.371 56.741 56.400 -0.050 0.000 1.118 1493 E CB -0.530 29.141 29.700 -0.049 0.000 1.077 1493 E HN 0.891 nan 8.360 nan 0.000 0.452 1494 E N 0.704 120.886 120.200 -0.031 0.000 2.394 1494 E HA 0.354 4.705 4.350 0.000 0.000 0.266 1494 E C -0.642 175.949 176.600 -0.015 0.000 1.065 1494 E CA -0.938 55.452 56.400 -0.017 0.000 0.885 1494 E CB 0.587 30.277 29.700 -0.016 0.000 1.659 1494 E HN -0.100 nan 8.360 nan 0.000 0.462 1495 N N -0.681 118.015 118.700 -0.006 0.000 2.538 1495 N HA 0.410 5.150 4.740 0.000 0.000 0.292 1495 N C -0.653 174.854 175.510 -0.005 0.000 1.262 1495 N CA -0.505 52.543 53.050 -0.004 0.000 0.976 1495 N CB 0.893 39.382 38.487 0.003 0.000 1.161 1495 N HN 0.568 nan 8.380 nan 0.000 0.598 1496 c N -1.079 117.517 118.600 -0.006 0.000 2.596 1496 c HA 0.892 5.462 4.570 0.000 0.000 0.372 1496 c C -0.493 173.589 174.090 -0.013 0.000 1.881 1496 c CA -0.187 56.137 56.329 -0.010 0.000 1.902 1496 c CB -0.264 42.238 42.510 -0.014 0.000 1.922 1496 c HN 0.453 nan 8.230 nan 0.000 0.495 1497 F N -0.104 119.830 119.950 -0.027 0.000 2.605 1497 F HA 0.849 5.376 4.527 0.000 0.000 0.320 1497 F C -0.398 175.351 175.800 -0.085 0.000 1.159 1497 F CA -0.125 57.848 58.000 -0.046 0.000 0.999 1497 F CB 0.307 39.285 39.000 -0.037 0.000 1.258 1497 F HN 1.359 nan 8.300 nan 0.000 0.464 1502 D N 1.639 122.014 120.400 -0.043 0.000 3.060 1502 D HA -0.158 4.482 4.640 0.000 0.000 0.209 1502 D C 0.493 176.790 176.300 -0.007 0.000 1.232 1502 D CA 1.322 55.306 54.000 -0.027 0.000 0.841 1502 D CB -0.568 40.214 40.800 -0.030 0.000 0.863 1502 D HN 0.568 nan 8.370 nan 0.000 0.389 1503 D N 2.174 122.578 120.400 0.007 0.000 1.971 1503 D HA -0.031 4.609 4.640 0.000 0.000 0.253 1503 D C 0.793 177.104 176.300 0.018 0.000 1.019 1503 D CA 1.021 55.029 54.000 0.014 0.000 0.947 1503 D CB 0.021 40.836 40.800 0.025 0.000 1.256 1503 D HN 0.515 nan 8.370 nan 0.000 0.493 1504 K N 0.666 121.085 120.400 0.032 0.000 3.084 1504 K HA 0.300 4.620 4.320 0.000 0.000 0.172 1504 K C -0.888 175.736 176.600 0.041 0.000 1.078 1504 K CA -0.237 56.067 56.287 0.027 0.000 0.875 1504 K CB 1.811 34.322 32.500 0.019 0.000 1.064 1504 K HN 0.062 nan 8.250 nan 0.000 0.597 1505 V N -0.201 119.749 119.914 0.060 0.000 2.425 1505 V HA 0.157 4.277 4.120 0.000 0.000 0.276 1505 V C 0.367 176.480 176.094 0.033 0.000 1.017 1505 V CA 0.117 62.467 62.300 0.084 0.000 1.062 1505 V CB -0.152 31.764 31.823 0.154 0.000 0.997 1505 V HN 0.544 nan 8.190 nan 0.000 0.476 1506 T N 2.581 117.144 114.554 0.015 0.000 2.804 1506 T HA 0.501 4.851 4.350 0.000 0.000 0.272 1506 T C 0.898 175.590 174.700 -0.014 0.000 0.986 1506 T CA -0.348 61.750 62.100 -0.003 0.000 0.999 1506 T CB 1.574 70.441 68.868 -0.002 0.000 1.307 1506 T HN 0.510 nan 8.240 nan 0.000 0.586 1507 L N 0.083 121.304 121.223 -0.005 0.000 2.217 1507 L HA 0.032 4.373 4.340 0.000 0.000 0.211 1507 L C 2.281 179.168 176.870 0.028 0.000 1.107 1507 L CA 1.443 56.296 54.840 0.022 0.000 0.783 1507 L CB -0.297 41.773 42.059 0.018 0.000 0.919 1507 L HN 0.711 nan 8.230 nan 0.000 0.442 1508 E N -0.590 119.610 120.200 -0.000 0.000 2.190 1508 E HA -0.123 4.227 4.350 0.000 0.000 0.191 1508 E C 1.985 178.571 176.600 -0.024 0.000 0.978 1508 E CA 0.430 56.825 56.400 -0.009 0.000 0.839 1508 E CB 0.040 29.732 29.700 -0.013 0.000 0.787 1508 E HN 0.287 nan 8.360 nan 0.000 0.473 1509 E N 0.622 120.805 120.200 -0.029 0.000 2.204 1509 E HA -0.106 4.245 4.350 0.000 0.000 0.194 1509 E C 1.814 178.344 176.600 -0.118 0.000 0.989 1509 E CA 0.763 57.136 56.400 -0.045 0.000 0.824 1509 E CB 0.001 29.695 29.700 -0.010 0.000 0.756 1509 E HN 0.269 nan 8.360 nan 0.000 0.477 1510 R N 0.022 120.435 120.500 -0.144 0.000 2.090 1510 R HA 0.156 4.496 4.340 0.000 0.000 0.219 1510 R C 2.590 178.804 176.300 -0.143 0.000 1.100 1510 R CA 0.281 56.206 56.100 -0.291 0.000 0.991 1510 R CB -0.220 29.780 30.300 -0.500 0.000 0.893 1510 R HN 0.082 nan 8.270 nan 0.000 0.443 1511 L N 1.113 122.370 121.223 0.057 0.000 2.261 1511 L HA -0.192 4.148 4.340 0.000 0.000 0.216 1511 L C 1.177 177.994 176.870 -0.087 0.000 1.114 1511 L CA 1.006 55.868 54.840 0.037 0.000 0.777 1511 L CB -0.321 41.743 42.059 0.008 0.000 0.910 1511 L HN 0.181 nan 8.230 nan 0.000 0.440 1512 D N -0.232 120.107 120.400 -0.102 0.000 2.201 1512 D HA -0.072 4.568 4.640 0.000 0.000 0.209 1512 D C 1.993 178.205 176.300 -0.147 0.000 0.961 1512 D CA 0.941 54.880 54.000 -0.101 0.000 0.861 1512 D CB 0.084 40.846 40.800 -0.063 0.000 0.997 1512 D HN 0.171 nan 8.370 nan 0.000 0.486 1513 K N 0.303 120.584 120.400 -0.199 0.000 2.459 1513 K HA 0.202 4.522 4.320 0.000 0.000 0.193 1513 K C 1.193 177.509 176.600 -0.472 0.000 1.030 1513 K CA 0.271 56.434 56.287 -0.207 0.000 1.026 1513 K CB 0.504 32.931 32.500 -0.122 0.000 0.809 1513 K HN -0.029 nan 8.250 nan 0.000 0.504 1514 A N -0.311 122.111 122.820 -0.663 0.000 2.430 1514 A HA 0.090 4.410 4.320 0.000 0.000 0.243 1514 A C 1.039 178.336 177.584 -0.479 0.000 1.254 1514 A CA -0.107 51.352 52.037 -0.963 0.000 0.914 1514 A CB 0.046 18.445 19.000 -1.001 0.000 0.998 1514 A HN 0.292 nan 8.150 nan 0.000 0.515 1515 c N 0.386 118.806 118.600 -0.301 0.000 3.240 1515 c HA 0.272 4.843 4.570 0.000 0.000 0.271 1515 c C 0.699 174.715 174.090 -0.123 0.000 1.534 1515 c CA -0.784 55.437 56.329 -0.181 0.000 1.796 1515 c CB -1.162 41.268 42.510 -0.134 0.000 2.892 1515 c HN 0.565 nan 8.230 nan 0.000 0.566 1516 E N 1.998 122.121 120.200 -0.129 0.000 2.391 1516 E HA 0.080 4.431 4.350 0.000 0.000 0.255 1516 E C -1.423 175.156 176.600 -0.035 0.000 1.187 1516 E CA -0.938 55.424 56.400 -0.063 0.000 0.941 1516 E CB 0.557 30.233 29.700 -0.039 0.000 1.010 1516 E HN 0.074 nan 8.360 nan 0.000 0.458 1517 P HA -0.194 nan 4.420 nan 0.000 0.210 1517 P C 1.274 178.592 177.300 0.029 0.000 1.185 1517 P CA 1.560 64.668 63.100 0.014 0.000 0.924 1517 P CB -0.197 31.517 31.700 0.024 0.000 0.786 1518 G N -0.477 108.351 108.800 0.046 0.000 2.479 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 0.363 175.307 174.900 0.074 0.000 1.115 1518 G CA 0.139 45.285 45.100 0.076 0.000 0.757 1518 G HN 0.216 nan 8.290 nan 0.000 0.560 1519 V N 1.754 121.682 119.914 0.022 0.000 2.486 1519 V HA -0.022 4.098 4.120 0.000 0.000 0.290 1519 V C 1.179 177.281 176.094 0.014 0.000 0.991 1519 V CA 1.136 63.418 62.300 -0.030 0.000 1.142 1519 V CB 0.837 32.573 31.823 -0.145 0.000 0.926 1519 V HN 0.471 nan 8.190 nan 0.000 0.472 1520 D N 4.016 124.449 120.400 0.056 0.000 2.766 1520 D HA 0.040 4.680 4.640 0.000 0.000 0.284 1520 D C 0.198 176.634 176.300 0.227 0.000 1.050 1520 D CA 0.274 54.392 54.000 0.197 0.000 0.945 1520 D CB 0.760 41.798 40.800 0.398 0.000 1.272 1520 D HN 0.570 nan 8.370 nan 0.000 0.482 1521 Y N -0.056 120.322 120.300 0.129 0.000 2.462 1521 Y HA 0.666 5.216 4.550 0.000 0.000 0.346 1521 Y C -1.273 174.496 175.900 -0.218 0.000 0.976 1521 Y CA -1.241 56.816 58.100 -0.072 0.000 1.044 1521 Y CB 1.898 40.423 38.460 0.108 0.000 1.230 1521 Y HN -0.266 nan 8.280 nan 0.000 0.455 1522 V N 4.635 124.282 119.914 -0.446 0.000 2.567 1522 V HA 0.415 4.535 4.120 0.000 0.000 0.298 1522 V C -1.479 174.451 176.094 -0.273 0.000 1.047 1522 V CA -0.868 61.323 62.300 -0.182 0.000 0.880 1522 V CB 0.679 32.531 31.823 0.048 0.000 1.009 1522 V HN 0.782 nan 8.190 nan 0.000 0.429 1523 Y N 1.721 122.237 120.300 0.360 0.000 2.576 1523 Y HA 0.577 5.127 4.550 0.000 0.000 0.346 1523 Y C 0.087 176.100 175.900 0.189 0.000 1.018 1523 Y CA -1.513 56.733 58.100 0.242 0.000 1.050 1523 Y CB 2.043 40.627 38.460 0.207 0.000 1.280 1523 Y HN 0.487 nan 8.280 nan 0.000 0.474 1524 K N 2.333 122.875 120.400 0.238 0.000 2.357 1524 K HA 0.364 4.684 4.320 0.000 0.000 0.251 1524 K C -0.783 175.820 176.600 0.005 0.000 1.069 1524 K CA -0.249 56.041 56.287 0.006 0.000 0.994 1524 K CB 0.148 32.445 32.500 -0.338 0.000 1.411 1524 K HN 0.888 nan 8.250 nan 0.000 0.450 1525 T N 0.353 114.947 114.554 0.067 0.000 2.927 1525 T HA 0.405 4.755 4.350 0.000 0.000 0.281 1525 T C -0.217 174.494 174.700 0.018 0.000 0.998 1525 T CA -0.979 61.144 62.100 0.038 0.000 1.019 1525 T CB 1.646 70.521 68.868 0.012 0.000 1.061 1525 T HN 0.527 nan 8.240 nan 0.000 0.518 1526 R N 1.364 121.847 120.500 -0.029 0.000 2.451 1526 R HA 0.437 4.777 4.340 0.000 0.000 0.307 1526 R C -1.187 175.076 176.300 -0.062 0.000 0.965 1526 R CA -0.968 55.050 56.100 -0.138 0.000 0.865 1526 R CB 1.069 31.215 30.300 -0.256 0.000 1.174 1526 R HN 0.614 nan 8.270 nan 0.000 0.455 1527 L N 6.074 127.292 121.223 -0.009 0.000 2.500 1527 L HA 0.055 4.395 4.340 0.000 0.000 0.272 1527 L C 0.123 176.999 176.870 0.010 0.000 1.149 1527 L CA 0.715 55.568 54.840 0.022 0.000 0.897 1527 L CB 1.309 43.404 42.059 0.059 0.000 1.178 1527 L HN 0.621 nan 8.230 nan 0.000 0.473 1528 V N 4.103 124.030 119.914 0.022 0.000 2.581 1528 V HA 0.164 4.285 4.120 0.000 0.000 0.240 1528 V C 0.858 176.967 176.094 0.025 0.000 1.054 1528 V CA 0.678 62.986 62.300 0.013 0.000 1.076 1528 V CB -0.340 31.491 31.823 0.013 0.000 0.748 1528 V HN 0.790 nan 8.190 nan 0.000 0.474 1529 K N 0.151 120.574 120.400 0.039 0.000 2.422 1529 K HA 0.627 4.947 4.320 0.000 0.000 0.251 1529 K C -1.898 174.723 176.600 0.036 0.000 0.933 1529 K CA -0.425 55.878 56.287 0.028 0.000 0.798 1529 K CB 2.613 35.120 32.500 0.012 0.000 1.238 1529 K HN -0.013 nan 8.250 nan 0.000 0.428 1530 V N 4.446 124.366 119.914 0.010 0.000 2.357 1530 V HA 0.280 4.400 4.120 0.000 0.000 0.281 1530 V C -0.640 175.389 176.094 -0.108 0.000 1.015 1530 V CA -0.785 61.496 62.300 -0.031 0.000 0.827 1530 V CB 1.235 33.086 31.823 0.047 0.000 1.018 1530 V HN 0.780 nan 8.190 nan 0.000 0.432 1531 Q N 3.601 123.288 119.800 -0.188 0.000 2.215 1531 Q HA 0.806 5.146 4.340 0.000 0.000 0.256 1531 Q C -1.125 174.707 176.000 -0.280 0.000 0.972 1531 Q CA -0.803 54.885 55.803 -0.191 0.000 0.889 1531 Q CB 3.184 31.822 28.738 -0.167 0.000 1.281 1531 Q HN 0.585 nan 8.270 nan 0.000 0.456 1532 L N 0.600 121.691 121.223 -0.219 0.000 2.543 1532 L HA 0.407 4.747 4.340 0.000 0.000 0.265 1532 L C -1.215 175.557 176.870 -0.163 0.000 0.945 1532 L CA -0.136 54.570 54.840 -0.224 0.000 0.869 1532 L CB 2.310 44.275 42.059 -0.155 0.000 1.294 1532 L HN 0.629 nan 8.230 nan 0.000 0.405 1533 S N 1.521 117.113 115.700 -0.180 0.000 2.786 1533 S HA 0.354 4.824 4.470 0.000 0.000 0.307 1533 S C 0.423 175.029 174.600 0.011 0.000 1.121 1533 S CA -0.644 57.519 58.200 -0.062 0.000 0.975 1533 S CB 1.545 64.736 63.200 -0.014 0.000 1.220 1533 S HN 0.722 nan 8.310 nan 0.000 0.550 1534 N N 0.806 119.542 118.700 0.060 0.000 2.398 1534 N HA 0.004 4.744 4.740 0.000 0.000 0.188 1534 N C 0.038 175.601 175.510 0.090 0.000 1.122 1534 N CA 0.624 53.708 53.050 0.057 0.000 0.866 1534 N CB -0.058 38.454 38.487 0.043 0.000 0.970 1534 N HN 0.656 nan 8.380 nan 0.000 0.462 1535 D N -1.772 118.736 120.400 0.180 0.000 2.514 1535 D HA 0.161 4.801 4.640 0.000 0.000 0.225 1535 D C -0.048 176.461 176.300 0.348 0.000 1.159 1535 D CA -0.348 53.763 54.000 0.185 0.000 0.823 1535 D CB -0.120 40.736 40.800 0.094 0.000 1.097 1535 D HN 0.252 nan 8.370 nan 0.000 0.519 1536 F N -0.710 119.219 119.950 -0.035 0.000 2.780 1536 F HA 0.363 4.891 4.527 0.000 0.000 0.320 1536 F C -2.106 173.655 175.800 -0.065 0.000 1.118 1536 F CA -1.627 56.346 58.000 -0.044 0.000 0.964 1536 F CB 0.668 39.641 39.000 -0.044 0.000 1.249 1536 F HN -0.165 nan 8.300 nan 0.000 0.455 1537 D N 0.814 121.061 120.400 -0.254 0.000 2.487 1537 D HA 0.709 5.349 4.640 0.000 0.000 0.262 1537 D C -1.114 174.845 176.300 -0.569 0.000 1.130 1537 D CA -0.252 53.475 54.000 -0.455 0.000 1.038 1537 D CB 1.717 42.315 40.800 -0.337 0.000 1.142 1537 D HN 0.912 nan 8.370 nan 0.000 0.575 1538 E N -2.362 117.401 120.200 -0.728 0.000 2.423 1538 E HA 0.486 4.836 4.350 0.000 0.000 0.280 1538 E C -1.600 174.514 176.600 -0.811 0.000 1.030 1538 E CA -1.086 54.974 56.400 -0.568 0.000 0.812 1538 E CB 1.154 30.644 29.700 -0.349 0.000 1.313 1538 E HN 0.480 nan 8.360 nan 0.000 0.456 1539 Y N 0.376 120.693 120.300 0.028 0.000 2.315 1539 Y HA 0.379 4.929 4.550 0.000 0.000 0.324 1539 Y C -0.437 175.519 175.900 0.093 0.000 1.062 1539 Y CA -0.884 57.228 58.100 0.020 0.000 1.159 1539 Y CB 1.532 39.965 38.460 -0.045 0.000 1.145 1539 Y HN 0.409 nan 8.280 nan 0.000 0.442 1540 I N 5.260 125.929 120.570 0.166 0.000 2.293 1540 I HA 0.211 4.381 4.170 0.000 0.000 0.299 1540 I C -0.314 175.882 176.117 0.131 0.000 1.153 1540 I CA 0.377 61.765 61.300 0.146 0.000 1.302 1540 I CB -0.152 37.894 38.000 0.077 0.000 1.460 1540 I HN 0.512 nan 8.210 nan 0.000 0.552 1541 M N 4.877 124.577 119.600 0.168 0.000 2.404 1541 M HA 0.603 5.083 4.480 0.000 0.000 0.338 1541 M C -0.057 176.289 176.300 0.078 0.000 1.150 1541 M CA -0.498 54.849 55.300 0.079 0.000 1.016 1541 M CB 2.077 34.656 32.600 -0.036 0.000 1.672 1541 M HN 0.518 nan 8.290 nan 0.000 0.448 1542 A N 3.951 126.788 122.820 0.029 0.000 2.276 1542 A HA 0.670 4.990 4.320 0.000 0.000 0.316 1542 A C -0.302 177.280 177.584 -0.003 0.000 1.229 1542 A CA -0.699 51.346 52.037 0.014 0.000 0.851 1542 A CB 0.251 19.254 19.000 0.005 0.000 1.165 1542 A HN 0.899 nan 8.150 nan 0.000 0.513 1543 I N 2.495 123.048 120.570 -0.028 0.000 2.517 1543 I HA 0.049 4.219 4.170 0.000 0.000 0.285 1543 I C 0.908 177.019 176.117 -0.011 0.000 1.106 1543 I CA 0.289 61.564 61.300 -0.041 0.000 1.402 1543 I CB 0.792 38.692 38.000 -0.167 0.000 1.399 1543 I HN 0.847 nan 8.210 nan 0.000 0.535 1544 E N 5.194 125.396 120.200 0.003 0.000 2.447 1544 E HA -0.005 4.345 4.350 0.000 0.000 0.195 1544 E C -0.153 176.445 176.600 -0.003 0.000 1.028 1544 E CA 0.180 56.575 56.400 -0.009 0.000 0.876 1544 E CB 0.417 30.099 29.700 -0.031 0.000 0.885 1544 E HN 0.702 nan 8.360 nan 0.000 0.500 1545 Q N -0.447 119.375 119.800 0.038 0.000 2.574 1545 Q HA 0.171 4.511 4.340 0.000 0.000 0.265 1545 Q C -1.126 174.993 176.000 0.199 0.000 0.975 1545 Q CA -0.768 55.082 55.803 0.078 0.000 0.923 1545 Q CB 0.781 29.541 28.738 0.036 0.000 1.518 1545 Q HN -0.057 nan 8.270 nan 0.000 0.401 1546 T N 0.551 115.240 114.554 0.224 0.000 3.016 1546 T HA 0.405 4.755 4.350 0.000 0.000 0.335 1546 T C 1.015 175.860 174.700 0.242 0.000 1.176 1546 T CA -0.609 61.718 62.100 0.379 0.000 0.987 1546 T CB -0.295 68.780 68.868 0.346 0.000 1.073 1546 T HN 0.652 nan 8.240 nan 0.000 0.547 1547 I N 0.910 121.606 120.570 0.211 0.000 2.264 1547 I HA -0.028 4.142 4.170 0.000 0.000 0.248 1547 I C 1.417 177.571 176.117 0.062 0.000 1.111 1547 I CA 1.172 62.541 61.300 0.115 0.000 1.382 1547 I CB -0.008 38.072 38.000 0.133 0.000 1.060 1547 I HN 0.523 nan 8.210 nan 0.000 0.418 1548 K N 0.913 121.345 120.400 0.053 0.000 2.687 1548 K HA 0.270 4.590 4.320 0.000 0.000 0.249 1548 K C -0.924 175.739 176.600 0.105 0.000 0.994 1548 K CA -0.291 56.020 56.287 0.040 0.000 0.913 1548 K CB 1.403 33.890 32.500 -0.022 0.000 1.202 1548 K HN -0.142 nan 8.250 nan 0.000 0.460 1549 S N 1.695 117.499 115.700 0.174 0.000 2.549 1549 S HA 0.270 4.740 4.470 0.000 0.000 0.283 1549 S C 0.477 175.221 174.600 0.241 0.000 1.320 1549 S CA -0.139 58.216 58.200 0.259 0.000 1.058 1549 S CB 1.300 64.619 63.200 0.198 0.000 0.882 1549 S HN 0.758 nan 8.310 nan 0.000 0.498 1550 G N 1.164 110.172 108.800 0.348 0.000 2.940 1550 G HA2 0.333 4.293 3.960 0.000 0.000 0.164 1550 G HA3 0.333 4.293 3.960 0.000 0.000 0.164 1550 G C 0.663 175.707 174.900 0.240 0.000 1.326 1550 G CA -0.560 44.745 45.100 0.342 0.000 1.020 1550 G HN 0.580 nan 8.290 nan 0.000 0.586 1551 S N -0.202 115.614 115.700 0.194 0.000 2.555 1551 S HA 0.036 4.506 4.470 0.000 0.000 0.230 1551 S C 0.306 174.850 174.600 -0.093 0.000 0.978 1551 S CA 0.496 58.678 58.200 -0.029 0.000 0.934 1551 S CB -0.046 63.024 63.200 -0.216 0.000 0.766 1551 S HN 0.520 nan 8.310 nan 0.000 0.533 1552 D N 2.501 122.944 120.400 0.072 0.000 2.373 1552 D HA 0.105 4.745 4.640 0.000 0.000 0.227 1552 D C -0.566 175.818 176.300 0.140 0.000 1.091 1552 D CA -0.389 53.662 54.000 0.085 0.000 0.840 1552 D CB 0.517 41.484 40.800 0.278 0.000 1.060 1552 D HN -0.072 nan 8.370 nan 0.000 0.502 1553 E N 2.872 123.110 120.200 0.064 0.000 1.881 1553 E HA 0.130 4.480 4.350 0.000 0.000 0.264 1553 E C -0.504 176.134 176.600 0.064 0.000 1.243 1553 E CA -0.138 56.302 56.400 0.067 0.000 0.965 1553 E CB 1.017 30.736 29.700 0.031 0.000 1.055 1553 E HN 0.188 nan 8.360 nan 0.000 0.412 1554 V N 3.485 123.449 119.914 0.084 0.000 2.531 1554 V HA 0.214 4.334 4.120 0.000 0.000 0.301 1554 V C -0.687 175.427 176.094 0.033 0.000 1.034 1554 V CA -0.754 61.571 62.300 0.042 0.000 0.865 1554 V CB 2.059 33.884 31.823 0.004 0.000 0.995 1554 V HN 0.415 nan 8.190 nan 0.000 0.424 1555 Q N 3.294 123.107 119.800 0.021 0.000 2.256 1555 Q HA 0.515 4.855 4.340 0.000 0.000 0.232 1555 Q C -0.422 175.582 176.000 0.007 0.000 0.965 1555 Q CA -0.187 55.630 55.803 0.023 0.000 0.908 1555 Q CB 1.721 30.471 28.738 0.020 0.000 1.209 1555 Q HN 0.690 nan 8.270 nan 0.000 0.489 1556 V N 2.087 122.011 119.914 0.017 0.000 2.450 1556 V HA 0.351 4.471 4.120 0.000 0.000 0.281 1556 V C 1.189 177.285 176.094 0.003 0.000 1.019 1556 V CA 1.761 64.067 62.300 0.010 0.000 1.062 1556 V CB -0.090 31.746 31.823 0.022 0.000 0.979 1556 V HN 1.010 nan 8.190 nan 0.000 0.477 1557 G N 3.702 112.499 108.800 -0.005 0.000 2.699 1557 G HA2 -0.139 3.821 3.960 0.000 0.000 0.198 1557 G HA3 -0.139 3.821 3.960 0.000 0.000 0.198 1557 G C 0.210 175.108 174.900 -0.002 0.000 1.033 1557 G CA -0.269 44.830 45.100 -0.001 0.000 0.728 1557 G HN 0.567 nan 8.290 nan 0.000 0.484 1558 Q N 0.615 120.412 119.800 -0.006 0.000 2.524 1558 Q HA 0.489 4.829 4.340 0.000 0.000 0.246 1558 Q C -0.073 175.928 176.000 0.002 0.000 1.063 1558 Q CA 0.461 56.264 55.803 -0.000 0.000 0.945 1558 Q CB 0.388 29.126 28.738 -0.000 0.000 1.292 1558 Q HN 0.502 nan 8.270 nan 0.000 0.518 1559 Q N 1.050 120.862 119.800 0.020 0.000 2.322 1559 Q HA 0.383 4.723 4.340 0.000 0.000 0.265 1559 Q C -0.890 175.150 176.000 0.067 0.000 0.985 1559 Q CA -0.638 55.191 55.803 0.043 0.000 0.849 1559 Q CB 1.543 30.309 28.738 0.047 0.000 1.274 1559 Q HN 0.193 nan 8.270 nan 0.000 0.449 1560 R N 1.740 122.302 120.500 0.103 0.000 2.387 1560 R HA 0.369 4.709 4.340 0.000 0.000 0.314 1560 R C -0.641 175.775 176.300 0.193 0.000 0.958 1560 R CA -0.503 55.679 56.100 0.136 0.000 0.846 1560 R CB 1.589 31.962 30.300 0.121 0.000 1.147 1560 R HN 0.531 nan 8.270 nan 0.000 0.447 1561 T N 4.080 118.721 114.554 0.145 0.000 2.851 1561 T HA 0.320 4.670 4.350 0.000 0.000 0.298 1561 T C -0.124 174.651 174.700 0.125 0.000 0.977 1561 T CA 0.339 62.545 62.100 0.177 0.000 1.126 1561 T CB 0.107 69.049 68.868 0.123 0.000 0.916 1561 T HN 0.172 nan 8.240 nan 0.000 0.529 1562 F N 2.359 122.412 119.950 0.172 0.000 2.480 1562 F HA 0.635 5.162 4.527 0.000 0.000 0.329 1562 F C 0.348 176.254 175.800 0.177 0.000 1.091 1562 F CA -1.181 56.939 58.000 0.201 0.000 0.972 1562 F CB 1.185 40.289 39.000 0.174 0.000 1.150 1562 F HN 0.322 nan 8.300 nan 0.000 0.467 1563 I N 1.591 122.350 120.570 0.315 0.000 2.608 1563 I HA 0.517 4.688 4.170 0.000 0.000 0.295 1563 I C -0.625 175.621 176.117 0.215 0.000 1.049 1563 I CA -0.550 60.881 61.300 0.218 0.000 1.063 1563 I CB 2.263 40.401 38.000 0.231 0.000 1.248 1563 I HN 0.500 nan 8.210 nan 0.000 0.424 1564 S N 5.806 121.612 115.700 0.177 0.000 2.541 1564 S HA 0.619 5.089 4.470 0.000 0.000 0.271 1564 S C -2.817 171.860 174.600 0.129 0.000 1.133 1564 S CA -1.298 56.996 58.200 0.157 0.000 0.876 1564 S CB 2.220 65.544 63.200 0.207 0.000 1.105 1564 S HN 0.168 nan 8.310 nan 0.000 0.470 1565 P HA 0.193 nan 4.420 nan 0.000 0.269 1565 P C 0.729 178.071 177.300 0.070 0.000 1.217 1565 P CA -0.170 62.981 63.100 0.085 0.000 0.783 1565 P CB 0.337 32.060 31.700 0.039 0.000 0.898 1566 I N 0.981 121.590 120.570 0.065 0.000 2.830 1566 I HA -0.156 4.014 4.170 0.000 0.000 0.263 1566 I C 1.372 177.504 176.117 0.024 0.000 1.230 1566 I CA 1.230 62.552 61.300 0.037 0.000 1.480 1566 I CB 0.027 38.051 38.000 0.039 0.000 1.095 1566 I HN 0.296 nan 8.210 nan 0.000 0.455 1567 K N -0.444 119.970 120.400 0.022 0.000 2.365 1567 K HA 0.021 4.341 4.320 0.000 0.000 0.197 1567 K C 1.356 177.961 176.600 0.008 0.000 1.042 1567 K CA 0.478 56.771 56.287 0.011 0.000 0.987 1567 K CB 0.060 32.564 32.500 0.005 0.000 0.779 1567 K HN 0.354 nan 8.250 nan 0.000 0.484 1568 c N 1.236 119.846 118.600 0.017 0.000 2.525 1568 c HA 0.212 4.782 4.570 0.000 0.000 0.313 1568 c C 1.592 175.693 174.090 0.019 0.000 1.311 1568 c CA -0.467 55.868 56.329 0.010 0.000 1.725 1568 c CB -1.231 41.289 42.510 0.016 0.000 1.926 1568 c HN 0.339 nan 8.230 nan 0.000 0.595 1569 R N 0.836 121.350 120.500 0.024 0.000 2.280 1569 R HA -0.089 4.251 4.340 0.000 0.000 0.207 1569 R C 1.815 178.118 176.300 0.004 0.000 1.043 1569 R CA 0.770 56.889 56.100 0.032 0.000 1.006 1569 R CB 0.029 30.344 30.300 0.024 0.000 0.885 1569 R HN 0.647 nan 8.270 nan 0.000 0.467 1570 E N 0.370 120.563 120.200 -0.012 0.000 2.460 1570 E HA 0.076 4.426 4.350 0.000 0.000 0.200 1570 E C 1.454 178.025 176.600 -0.048 0.000 1.011 1570 E CA 0.264 56.648 56.400 -0.027 0.000 0.912 1570 E CB 0.299 29.985 29.700 -0.023 0.000 0.953 1570 E HN 0.259 nan 8.360 nan 0.000 0.494 1571 A N 1.132 123.918 122.820 -0.055 0.000 1.830 1571 A HA -0.039 4.281 4.320 0.000 0.000 0.214 1571 A C 0.772 178.285 177.584 -0.120 0.000 1.218 1571 A CA 0.738 52.722 52.037 -0.088 0.000 0.628 1571 A CB -0.145 18.801 19.000 -0.091 0.000 0.860 1571 A HN 0.271 nan 8.150 nan 0.000 0.454 1572 L N 0.497 121.628 121.223 -0.154 0.000 2.353 1572 L HA 0.261 4.601 4.340 0.000 0.000 0.270 1572 L C -0.751 175.997 176.870 -0.203 0.000 1.003 1572 L CA -0.142 54.580 54.840 -0.198 0.000 0.862 1572 L CB 1.189 43.070 42.059 -0.297 0.000 1.221 1572 L HN 0.394 nan 8.230 nan 0.000 0.430 1573 K N 5.023 125.353 120.400 -0.117 0.000 2.062 1573 K HA 0.127 4.447 4.320 0.000 0.000 0.251 1573 K C 0.019 176.560 176.600 -0.098 0.000 1.113 1573 K CA 0.044 56.288 56.287 -0.071 0.000 1.096 1573 K CB -0.093 32.390 32.500 -0.028 0.000 1.099 1573 K HN 0.458 nan 8.250 nan 0.000 0.350 1574 L N 3.238 124.313 121.223 -0.247 0.000 2.617 1574 L HA 0.023 4.363 4.340 0.000 0.000 0.282 1574 L C 0.956 177.807 176.870 -0.031 0.000 1.174 1574 L CA 0.095 54.721 54.840 -0.357 0.000 1.016 1574 L CB -0.527 40.990 42.059 -0.904 0.000 1.337 1574 L HN 0.566 nan 8.230 nan 0.000 0.460 1575 E N 2.354 122.615 120.200 0.103 0.000 2.397 1575 E HA 0.117 4.467 4.350 0.000 0.000 0.254 1575 E C -0.146 176.524 176.600 0.118 0.000 1.231 1575 E CA -0.427 56.039 56.400 0.111 0.000 0.954 1575 E CB 0.770 30.537 29.700 0.112 0.000 1.024 1575 E HN 0.466 nan 8.360 nan 0.000 0.481 1576 E N 1.137 121.383 120.200 0.075 0.000 2.266 1576 E HA 0.095 4.446 4.350 0.000 0.000 0.277 1576 E C -0.589 176.020 176.600 0.013 0.000 1.018 1576 E CA -0.507 55.922 56.400 0.049 0.000 0.840 1576 E CB 0.997 30.716 29.700 0.033 0.000 1.082 1576 E HN 0.359 nan 8.360 nan 0.000 0.395 1577 K N 0.933 121.316 120.400 -0.028 0.000 3.230 1577 K HA -0.170 4.150 4.320 0.000 0.000 0.285 1577 K C -0.780 175.704 176.600 -0.193 0.000 1.196 1577 K CA 1.027 57.252 56.287 -0.103 0.000 0.838 1577 K CB -1.544 30.920 32.500 -0.059 0.000 1.262 1577 K HN 0.527 nan 8.250 nan 0.000 0.492 1578 K N 0.609 120.905 120.400 -0.173 0.000 2.203 1578 K HA 0.375 4.695 4.320 0.000 0.000 0.251 1578 K C 0.055 176.328 176.600 -0.545 0.000 0.944 1578 K CA -0.812 55.290 56.287 -0.308 0.000 0.829 1578 K CB 1.466 33.880 32.500 -0.143 0.000 1.125 1578 K HN 0.113 nan 8.250 nan 0.000 0.430 1579 H N 1.429 120.195 119.070 -0.506 0.000 2.481 1579 H HA 0.291 4.847 4.556 0.000 0.000 0.339 1579 H C -0.842 174.056 175.328 -0.717 0.000 1.131 1579 H CA 0.008 55.786 56.048 -0.450 0.000 1.301 1579 H CB 0.842 30.366 29.762 -0.397 0.000 1.476 1579 H HN 0.460 nan 8.280 nan 0.000 0.529 1580 Y N 0.487 120.820 120.300 0.055 0.000 2.479 1580 Y HA 0.143 4.693 4.550 0.000 0.000 0.338 1580 Y C -0.641 175.353 175.900 0.157 0.000 1.055 1580 Y CA -0.907 57.236 58.100 0.071 0.000 1.023 1580 Y CB 1.693 40.106 38.460 -0.079 0.000 1.287 1580 Y HN 0.368 nan 8.280 nan 0.000 0.447 1581 L N 4.583 126.063 121.223 0.429 0.000 2.264 1581 L HA 0.700 5.040 4.340 0.000 0.000 0.289 1581 L C -1.111 175.905 176.870 0.243 0.000 1.044 1581 L CA -0.261 54.838 54.840 0.431 0.000 0.807 1581 L CB 0.288 42.688 42.059 0.568 0.000 1.192 1581 L HN 0.678 nan 8.230 nan 0.000 0.425 1582 M N 5.176 124.914 119.600 0.231 0.000 2.501 1582 M HA 0.560 5.040 4.480 0.000 0.000 0.293 1582 M C -1.817 174.604 176.300 0.203 0.000 1.192 1582 M CA -0.418 54.935 55.300 0.089 0.000 0.886 1582 M CB 2.420 35.059 32.600 0.065 0.000 1.710 1582 M HN 0.708 nan 8.290 nan 0.000 0.457 1583 W N 0.729 122.059 121.300 0.050 0.000 3.479 1583 W HA 0.869 5.530 4.660 0.000 0.000 0.304 1583 W C -1.225 175.059 176.519 -0.391 0.000 1.243 1583 W CA -0.878 56.250 57.345 -0.361 0.000 1.202 1583 W CB 0.207 29.520 29.460 -0.245 0.000 1.346 1583 W HN 0.790 nan 8.180 nan 0.000 0.539 1584 G N 1.517 109.911 108.800 -0.677 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 -1.564 173.320 174.900 -0.027 0.000 1.334 1584 G CA -1.305 43.717 45.100 -0.130 0.000 0.843 1584 G HN 0.706 nan 8.290 nan 0.000 0.548 1585 L N 0.355 121.684 121.223 0.176 0.000 2.400 1585 L HA 0.349 4.689 4.340 0.000 0.000 0.264 1585 L C 1.882 178.930 176.870 0.296 0.000 1.061 1585 L CA -0.404 54.558 54.840 0.203 0.000 0.799 1585 L CB 1.845 44.002 42.059 0.164 0.000 1.240 1585 L HN 0.706 nan 8.230 nan 0.000 0.461 1586 S N -1.630 114.275 115.700 0.342 0.000 2.489 1586 S HA -0.110 4.360 4.470 0.000 0.000 0.228 1586 S C 1.489 176.371 174.600 0.470 0.000 0.995 1586 S CA 0.608 59.134 58.200 0.544 0.000 0.934 1586 S CB -0.322 63.146 63.200 0.446 0.000 0.771 1586 S HN 0.754 nan 8.310 nan 0.000 0.522 1587 S N 0.776 116.646 115.700 0.282 0.000 2.607 1587 S HA 0.100 4.570 4.470 0.000 0.000 0.224 1587 S C 0.447 175.166 174.600 0.198 0.000 0.969 1587 S CA 0.214 58.551 58.200 0.229 0.000 0.927 1587 S CB -0.235 63.064 63.200 0.165 0.000 0.772 1587 S HN 0.385 nan 8.310 nan 0.000 0.533 1588 D N 0.357 120.855 120.400 0.164 0.000 2.369 1588 D HA 0.308 4.948 4.640 0.000 0.000 0.211 1588 D C -0.292 176.008 176.300 0.001 0.000 1.077 1588 D CA -0.272 53.776 54.000 0.079 0.000 0.842 1588 D CB -0.144 40.717 40.800 0.102 0.000 0.947 1588 D HN 0.354 nan 8.370 nan 0.000 0.509 1589 F N 0.455 120.449 119.950 0.075 0.000 2.506 1589 F HA 0.154 4.681 4.527 0.000 0.000 0.351 1589 F C 0.590 176.497 175.800 0.179 0.000 1.136 1589 F CA 0.021 58.007 58.000 -0.024 0.000 1.298 1589 F CB 0.623 39.577 39.000 -0.077 0.000 1.145 1589 F HN -0.089 nan 8.300 nan 0.000 0.593 1590 W N 4.005 125.332 121.300 0.045 0.000 2.884 1590 W HA 0.463 5.123 4.660 0.000 0.000 0.336 1590 W C -0.216 176.301 176.519 -0.005 0.000 1.038 1590 W CA -0.228 57.125 57.345 0.012 0.000 1.247 1590 W CB 1.585 31.043 29.460 -0.003 0.000 1.351 1590 W HN 0.850 nan 8.180 nan 0.000 0.446 1591 G N 3.605 112.065 108.800 -0.566 0.000 2.396 1591 G HA2 -0.129 3.831 3.960 0.000 0.000 0.254 1591 G HA3 -0.129 3.831 3.960 0.000 0.000 0.254 1591 G C -1.413 173.311 174.900 -0.294 0.000 1.248 1591 G CA -0.865 43.922 45.100 -0.523 0.000 1.033 1591 G HN 0.343 nan 8.290 nan 0.000 0.502 1592 E N 0.634 120.697 120.200 -0.228 0.000 2.248 1592 E HA 0.421 4.772 4.350 0.000 0.000 0.267 1592 E C -0.074 176.446 176.600 -0.133 0.000 0.877 1592 E CA -0.792 55.507 56.400 -0.169 0.000 0.759 1592 E CB 1.819 31.425 29.700 -0.157 0.000 1.182 1592 E HN 0.599 nan 8.360 nan 0.000 0.418 1593 K N 2.075 122.399 120.400 -0.127 0.000 2.469 1593 K HA 0.059 4.379 4.320 0.000 0.000 0.274 1593 K C -1.481 175.071 176.600 -0.081 0.000 0.983 1593 K CA -0.862 55.361 56.287 -0.106 0.000 0.974 1593 K CB 0.147 32.578 32.500 -0.114 0.000 0.913 1593 K HN 0.165 nan 8.250 nan 0.000 0.493 1594 P HA 0.010 nan 4.420 nan 0.000 0.245 1594 P C -0.712 176.557 177.300 -0.050 0.000 1.206 1594 P CA 0.469 63.537 63.100 -0.054 0.000 0.781 1594 P CB 0.279 31.959 31.700 -0.034 0.000 0.994 1595 N N 0.845 119.509 118.700 -0.059 0.000 3.050 1595 N HA 0.122 4.862 4.740 0.000 0.000 0.289 1595 N C -0.001 175.466 175.510 -0.071 0.000 1.209 1595 N CA 0.368 53.386 53.050 -0.053 0.000 1.154 1595 N CB -0.435 38.019 38.487 -0.056 0.000 1.444 1595 N HN 0.219 nan 8.380 nan 0.000 0.529 1596 L N -0.289 120.900 121.223 -0.057 0.000 2.440 1596 L HA 0.565 4.905 4.340 0.000 0.000 0.262 1596 L C 0.343 177.191 176.870 -0.036 0.000 1.072 1596 L CA -0.605 54.200 54.840 -0.058 0.000 0.798 1596 L CB 0.953 42.981 42.059 -0.051 0.000 1.307 1596 L HN 0.096 nan 8.230 nan 0.000 0.475 1597 S N -1.299 114.381 115.700 -0.033 0.000 2.603 1597 S HA 0.451 4.921 4.470 0.000 0.000 0.274 1597 S C -1.292 173.230 174.600 -0.129 0.000 1.168 1597 S CA -0.677 57.521 58.200 -0.003 0.000 0.963 1597 S CB 1.112 64.422 63.200 0.183 0.000 1.078 1597 S HN 0.219 nan 8.310 nan 0.000 0.477 1598 Y N 2.035 122.126 120.300 -0.348 0.000 2.301 1598 Y HA 0.476 5.026 4.550 0.000 0.000 0.328 1598 Y C 0.529 176.308 175.900 -0.202 0.000 1.242 1598 Y CA -0.571 57.211 58.100 -0.531 0.000 1.323 1598 Y CB 0.532 38.199 38.460 -1.321 0.000 1.266 1598 Y HN 0.404 nan 8.280 nan 0.000 0.527 1599 I N 3.912 124.525 120.570 0.071 0.000 2.447 1599 I HA 0.216 4.386 4.170 0.000 0.000 0.287 1599 I C -0.402 175.835 176.117 0.199 0.000 1.023 1599 I CA -0.877 60.492 61.300 0.116 0.000 1.083 1599 I CB 1.436 39.446 38.000 0.017 0.000 1.245 1599 I HN 0.562 nan 8.210 nan 0.000 0.434 1600 I N 6.250 126.958 120.570 0.229 0.000 2.352 1600 I HA 0.133 4.303 4.170 0.000 0.000 0.303 1600 I C 1.172 177.350 176.117 0.102 0.000 1.194 1600 I CA 0.149 61.563 61.300 0.190 0.000 1.518 1600 I CB -0.251 37.841 38.000 0.154 0.000 1.489 1600 I HN 0.625 nan 8.210 nan 0.000 0.702 1601 G N 4.225 113.085 108.800 0.098 0.000 2.568 1601 G HA2 0.248 4.208 3.960 0.000 0.000 0.293 1601 G HA3 0.248 4.208 3.960 0.000 0.000 0.293 1601 G C 0.930 175.858 174.900 0.046 0.000 1.347 1601 G CA -0.593 44.542 45.100 0.059 0.000 1.039 1601 G HN 0.666 nan 8.290 nan 0.000 0.523 1602 K N -0.988 119.433 120.400 0.036 0.000 2.152 1602 K HA -0.088 4.232 4.320 0.000 0.000 0.206 1602 K C 0.474 177.108 176.600 0.056 0.000 1.048 1602 K CA 1.802 58.108 56.287 0.032 0.000 0.933 1602 K CB 0.044 32.562 32.500 0.029 0.000 0.721 1602 K HN 0.212 nan 8.250 nan 0.000 0.447 1603 D N 1.047 121.496 120.400 0.081 0.000 2.325 1603 D HA 0.037 4.677 4.640 0.000 0.000 0.225 1603 D C -0.414 175.967 176.300 0.135 0.000 1.096 1603 D CA 0.318 54.390 54.000 0.121 0.000 0.844 1603 D CB 0.555 41.429 40.800 0.124 0.000 0.925 1603 D HN 0.128 nan 8.370 nan 0.000 0.513 1604 T N 1.073 115.681 114.554 0.089 0.000 2.743 1604 T HA 0.063 4.413 4.350 0.000 0.000 0.293 1604 T C -0.319 174.347 174.700 -0.057 0.000 0.945 1604 T CA -0.621 61.514 62.100 0.058 0.000 1.030 1604 T CB 1.272 70.201 68.868 0.101 0.000 0.912 1604 T HN 0.136 nan 8.240 nan 0.000 0.483 1605 W N 5.700 126.722 121.300 -0.464 0.000 2.342 1605 W HA 0.490 5.151 4.660 0.000 0.000 0.310 1605 W C -1.599 174.569 176.519 -0.585 0.000 1.128 1605 W CA -0.754 56.166 57.345 -0.708 0.000 1.322 1605 W CB 0.495 28.985 29.460 -1.616 0.000 1.251 1605 W HN 0.269 nan 8.180 nan 0.000 0.439 1606 V N 6.508 126.000 119.914 -0.704 0.000 2.357 1606 V HA 0.263 4.383 4.120 0.000 0.000 0.284 1606 V C -0.213 175.551 176.094 -0.549 0.000 1.018 1606 V CA -0.540 61.459 62.300 -0.503 0.000 0.841 1606 V CB 1.429 33.004 31.823 -0.414 0.000 0.991 1606 V HN 0.529 nan 8.190 nan 0.000 0.437 1607 E N 2.783 122.839 120.200 -0.240 0.000 2.293 1607 E HA 0.413 4.763 4.350 0.000 0.000 0.270 1607 E C -1.218 175.523 176.600 0.235 0.000 0.879 1607 E CA -0.920 55.439 56.400 -0.067 0.000 0.756 1607 E CB 1.837 31.559 29.700 0.037 0.000 1.208 1607 E HN 0.827 nan 8.360 nan 0.000 0.428 1608 H N 3.938 123.082 119.070 0.124 0.000 2.819 1608 H HA 0.101 4.657 4.556 0.000 0.000 0.303 1608 H C -1.231 174.108 175.328 0.017 0.000 1.058 1608 H CA -0.218 55.877 56.048 0.078 0.000 1.471 1608 H CB 0.512 30.297 29.762 0.037 0.000 1.480 1608 H HN 0.336 nan 8.280 nan 0.000 0.517 1609 W N 9.341 130.239 121.300 -0.670 0.000 2.308 1609 W HA 0.276 4.936 4.660 0.000 0.000 0.311 1609 W C -2.741 173.463 176.519 -0.525 0.000 1.088 1609 W CA -2.996 54.101 57.345 -0.413 0.000 1.309 1609 W CB 0.696 30.016 29.460 -0.234 0.000 1.229 1609 W HN 0.631 nan 8.180 nan 0.000 0.427 1610 P HA -0.089 nan 4.420 nan 0.000 0.267 1610 P C -0.093 177.306 177.300 0.165 0.000 1.201 1610 P CA 0.510 63.640 63.100 0.049 0.000 0.775 1610 P CB 0.845 32.555 31.700 0.017 0.000 0.854 1611 E N 0.891 121.168 120.200 0.128 0.000 2.405 1611 E HA -0.016 4.334 4.350 0.000 0.000 0.253 1611 E C 1.247 177.895 176.600 0.080 0.000 1.257 1611 E CA 0.003 56.473 56.400 0.117 0.000 0.960 1611 E CB 0.217 29.983 29.700 0.111 0.000 1.077 1611 E HN 0.352 nan 8.360 nan 0.000 0.512 1612 E N 0.347 120.576 120.200 0.048 0.000 2.051 1612 E HA -0.182 4.169 4.350 0.000 0.000 0.192 1612 E C 0.593 177.216 176.600 0.038 0.000 0.991 1612 E CA 2.014 58.435 56.400 0.036 0.000 0.799 1612 E CB -0.169 29.542 29.700 0.018 0.000 0.748 1612 E HN 0.558 nan 8.360 nan 0.000 0.449 1613 D N -0.676 119.747 120.400 0.038 0.000 2.336 1613 D HA -0.008 4.632 4.640 0.000 0.000 0.228 1613 D C 0.686 177.006 176.300 0.033 0.000 1.120 1613 D CA 0.126 54.144 54.000 0.031 0.000 0.839 1613 D CB 0.010 40.826 40.800 0.028 0.000 0.932 1613 D HN 0.382 nan 8.370 nan 0.000 0.509 1614 E N -0.678 119.548 120.200 0.042 0.000 2.413 1614 E HA 0.073 4.423 4.350 0.000 0.000 0.203 1614 E C 1.062 177.680 176.600 0.029 0.000 0.957 1614 E CA -0.004 56.422 56.400 0.043 0.000 0.950 1614 E CB 0.240 29.980 29.700 0.067 0.000 0.957 1614 E HN 0.231 nan 8.360 nan 0.000 0.497 1615 c N 2.058 120.673 118.600 0.026 0.000 2.466 1615 c HA -0.012 4.558 4.570 0.000 0.000 0.283 1615 c C 2.237 176.331 174.090 0.006 0.000 1.472 1615 c CA 0.292 56.627 56.329 0.009 0.000 1.765 1615 c CB -0.624 41.892 42.510 0.009 0.000 1.724 1615 c HN 0.396 nan 8.230 nan 0.000 0.560 1616 Q N 0.774 120.581 119.800 0.011 0.000 2.230 1616 Q HA -0.008 4.333 4.340 0.000 0.000 0.202 1616 Q C 0.632 176.634 176.000 0.005 0.000 0.963 1616 Q CA 0.811 56.619 55.803 0.008 0.000 0.866 1616 Q CB -0.528 28.217 28.738 0.011 0.000 0.931 1616 Q HN 0.627 nan 8.270 nan 0.000 0.452 1617 D N 2.357 122.760 120.400 0.006 0.000 2.458 1617 D HA -0.082 4.558 4.640 0.000 0.000 0.243 1617 D C 0.636 176.934 176.300 -0.003 0.000 1.146 1617 D CA 0.144 54.146 54.000 0.002 0.000 0.877 1617 D CB 0.662 41.464 40.800 0.004 0.000 1.176 1617 D HN 0.242 nan 8.370 nan 0.000 0.461 1618 E N 2.046 122.244 120.200 -0.004 0.000 2.461 1618 E HA -0.059 4.291 4.350 0.000 0.000 0.196 1618 E C 0.289 176.884 176.600 -0.009 0.000 1.129 1618 E CA 0.535 56.931 56.400 -0.007 0.000 0.902 1618 E CB -0.020 29.677 29.700 -0.006 0.000 0.963 1618 E HN 0.576 nan 8.360 nan 0.000 0.503 1619 E N 0.136 120.330 120.200 -0.010 0.000 2.508 1619 E HA 0.118 4.468 4.350 0.000 0.000 0.217 1619 E C 0.703 177.294 176.600 -0.016 0.000 0.896 1619 E CA 0.005 56.397 56.400 -0.013 0.000 1.118 1619 E CB 0.404 30.097 29.700 -0.013 0.000 1.133 1619 E HN 0.320 nan 8.360 nan 0.000 0.526 1620 N N 0.649 119.341 118.700 -0.014 0.000 2.205 1620 N HA 0.044 4.784 4.740 0.000 0.000 0.201 1620 N C 1.319 176.810 175.510 -0.031 0.000 1.128 1620 N CA -0.060 52.980 53.050 -0.018 0.000 0.867 1620 N CB 0.476 38.961 38.487 -0.004 0.000 0.996 1620 N HN 0.048 nan 8.380 nan 0.000 0.503 1621 Q N 0.955 120.739 119.800 -0.026 0.000 2.079 1621 Q HA -0.120 4.220 4.340 0.000 0.000 0.200 1621 Q C 1.750 177.726 176.000 -0.040 0.000 0.974 1621 Q CA 1.135 56.921 55.803 -0.029 0.000 0.840 1621 Q CB 0.018 28.745 28.738 -0.019 0.000 0.898 1621 Q HN 0.064 nan 8.270 nan 0.000 0.430 1622 K N 1.186 121.564 120.400 -0.036 0.000 2.211 1622 K HA -0.204 4.116 4.320 0.000 0.000 0.204 1622 K C 1.782 178.348 176.600 -0.056 0.000 1.047 1622 K CA 1.439 57.704 56.287 -0.038 0.000 0.935 1622 K CB 0.023 32.506 32.500 -0.028 0.000 0.728 1622 K HN 0.196 nan 8.250 nan 0.000 0.452 1623 Q N -1.405 118.351 119.800 -0.073 0.000 2.297 1623 Q HA -0.006 4.334 4.340 0.000 0.000 0.203 1623 Q C 1.742 177.630 176.000 -0.187 0.000 0.931 1623 Q CA 0.848 56.581 55.803 -0.116 0.000 0.885 1623 Q CB 0.073 28.747 28.738 -0.107 0.000 0.991 1623 Q HN 0.379 nan 8.270 nan 0.000 0.498 1624 c N 1.002 119.509 118.600 -0.155 0.000 2.440 1624 c HA -0.075 4.495 4.570 0.000 0.000 0.278 1624 c C 2.446 176.459 174.090 -0.129 0.000 1.295 1624 c CA 0.713 56.938 56.329 -0.173 0.000 1.738 1624 c CB -0.643 41.814 42.510 -0.089 0.000 1.987 1624 c HN 0.585 nan 8.230 nan 0.000 0.492 1625 Q N 0.485 120.235 119.800 -0.083 0.000 2.123 1625 Q HA -0.134 4.206 4.340 0.000 0.000 0.199 1625 Q C 1.574 177.543 176.000 -0.051 0.000 0.966 1625 Q CA 1.206 56.979 55.803 -0.050 0.000 0.845 1625 Q CB -0.166 28.551 28.738 -0.035 0.000 0.907 1625 Q HN 0.637 nan 8.270 nan 0.000 0.439 1626 D N 0.860 121.217 120.400 -0.073 0.000 2.097 1626 D HA -0.095 4.545 4.640 0.000 0.000 0.197 1626 D C 1.938 178.206 176.300 -0.053 0.000 0.984 1626 D CA 0.881 54.849 54.000 -0.053 0.000 0.826 1626 D CB -0.124 40.636 40.800 -0.067 0.000 0.973 1626 D HN 0.154 nan 8.370 nan 0.000 0.460 1627 L N 0.508 121.613 121.223 -0.197 0.000 2.056 1627 L HA -0.041 4.299 4.340 0.000 0.000 0.207 1627 L C 2.539 179.370 176.870 -0.066 0.000 1.078 1627 L CA 1.396 56.040 54.840 -0.326 0.000 0.749 1627 L CB -0.688 40.759 42.059 -1.020 0.000 0.901 1627 L HN 0.097 nan 8.230 nan 0.000 0.433 1628 G N -0.526 108.249 108.800 -0.043 0.000 2.418 1628 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 1628 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 1628 G C 1.738 176.695 174.900 0.096 0.000 1.158 1628 G CA 0.783 45.939 45.100 0.092 0.000 0.771 1628 G HN 0.463 nan 8.290 nan 0.000 0.545 1629 A N 0.180 123.035 122.820 0.059 0.000 1.929 1629 A HA 0.174 4.494 4.320 0.000 0.000 0.216 1629 A C 2.120 179.740 177.584 0.060 0.000 1.176 1629 A CA 1.274 53.333 52.037 0.037 0.000 0.628 1629 A CB -0.474 18.532 19.000 0.009 0.000 0.816 1629 A HN 0.392 nan 8.150 nan 0.000 0.444 1630 F N 1.456 121.389 119.950 -0.027 0.000 2.269 1630 F HA -0.124 4.403 4.527 0.000 0.000 0.301 1630 F C 2.294 178.115 175.800 0.035 0.000 1.082 1630 F CA 2.025 60.015 58.000 -0.017 0.000 1.360 1630 F CB -0.354 38.638 39.000 -0.013 0.000 1.041 1630 F HN 0.197 nan 8.300 nan 0.000 0.512 1631 T N 0.146 114.798 114.554 0.162 0.000 2.668 1631 T HA -0.180 4.171 4.350 0.000 0.000 0.262 1631 T C 1.720 176.414 174.700 -0.010 0.000 1.045 1631 T CA 1.799 63.975 62.100 0.126 0.000 1.152 1631 T CB -0.317 68.709 68.868 0.264 0.000 0.864 1631 T HN 0.359 nan 8.240 nan 0.000 0.419 1632 E N 0.987 121.190 120.200 0.004 0.000 2.150 1632 E HA -0.059 4.291 4.350 0.000 0.000 0.193 1632 E C 2.209 178.773 176.600 -0.061 0.000 0.985 1632 E CA 0.812 57.204 56.400 -0.013 0.000 0.814 1632 E CB -0.142 29.556 29.700 -0.003 0.000 0.752 1632 E HN 0.284 nan 8.360 nan 0.000 0.466 1633 S N -0.477 115.137 115.700 -0.143 0.000 2.603 1633 S HA -0.011 4.460 4.470 0.000 0.000 0.229 1633 S C 1.538 176.022 174.600 -0.194 0.000 0.972 1633 S CA 0.517 58.593 58.200 -0.207 0.000 0.935 1633 S CB 0.129 63.171 63.200 -0.262 0.000 0.769 1633 S HN 0.128 nan 8.310 nan 0.000 0.536 1634 M N 0.181 119.641 119.600 -0.233 0.000 2.838 1634 M HA 0.158 4.638 4.480 0.000 0.000 0.251 1634 M C 2.165 178.413 176.300 -0.087 0.000 1.393 1634 M CA 0.800 55.958 55.300 -0.238 0.000 1.196 1634 M CB -1.000 31.341 32.600 -0.431 0.000 1.276 1634 M HN 0.293 nan 8.290 nan 0.000 0.541 1635 V N -1.923 117.963 119.914 -0.046 0.000 2.295 1635 V HA -0.115 4.005 4.120 0.000 0.000 0.246 1635 V C 2.071 178.176 176.094 0.018 0.000 1.049 1635 V CA 1.979 64.279 62.300 0.001 0.000 1.024 1635 V CB -1.499 30.336 31.823 0.020 0.000 0.648 1635 V HN 0.282 nan 8.190 nan 0.000 0.447 1636 V N -1.931 118.013 119.914 0.049 0.000 3.263 1636 V HA 0.219 4.339 4.120 0.000 0.000 0.248 1636 V C 1.863 177.999 176.094 0.069 0.000 1.145 1636 V CA 0.865 63.203 62.300 0.063 0.000 1.107 1636 V CB 0.561 32.441 31.823 0.095 0.000 0.797 1636 V HN 0.411 nan 8.190 nan 0.000 0.467 1637 F N 0.867 120.775 119.950 -0.070 0.000 2.231 1637 F HA 0.642 5.169 4.527 0.000 0.000 0.267 1637 F C 1.387 177.138 175.800 -0.081 0.000 1.108 1637 F CA 1.574 59.530 58.000 -0.073 0.000 1.098 1637 F CB 0.067 39.017 39.000 -0.084 0.000 1.088 1637 F HN 0.331 nan 8.300 nan 0.000 0.541 1638 G N -1.225 107.652 108.800 0.127 0.000 2.353 1638 G HA2 -0.087 3.873 3.960 0.000 0.000 0.615 1638 G HA3 -0.087 3.873 3.960 0.000 0.000 0.615 1638 G C -1.410 173.491 174.900 0.003 0.000 1.280 1638 G CA -1.024 44.078 45.100 0.002 0.000 1.000 1638 G HN 0.492 nan 8.290 nan 0.000 0.516 1639 c N 1.628 120.202 118.600 -0.043 0.000 2.652 1639 c HA 0.488 5.058 4.570 0.000 0.000 0.412 1639 c C 0.012 174.093 174.090 -0.015 0.000 1.294 1639 c CA 0.076 56.376 56.329 -0.048 0.000 2.127 1639 c CB 0.783 43.251 42.510 -0.071 0.000 2.691 1639 c HN 0.684 nan 8.230 nan 0.000 0.615 1640 P HA 0.015 nan 4.420 nan 0.000 0.253 1640 P C -0.109 177.187 177.300 -0.006 0.000 1.281 1640 P CA 0.739 63.843 63.100 0.007 0.000 0.792 1640 P CB 0.037 31.738 31.700 0.003 0.000 1.193 1641 N N 0.000 118.690 118.700 -0.017 0.000 1.763 1641 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1641 N CA 0.000 53.040 53.050 -0.016 0.000 0.885 1641 N CB 0.000 38.475 38.487 -0.019 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667