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 3l5n_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 XXXXXLTcNK FDLKVTIKPA XXXXXXXXXX XNTMILEIcT 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 0.000 176.904 176.870 0.057 0.000 1.165 729 L CA 0.000 54.864 54.840 0.041 0.000 0.813 729 L CB 0.000 42.081 42.059 0.037 0.000 0.961 730 D N 1.812 122.241 120.400 0.049 0.000 2.325 730 D HA 0.139 4.779 4.640 0.000 0.000 0.225 730 D C 0.576 176.912 176.300 0.060 0.000 1.096 730 D CA 0.148 54.184 54.000 0.061 0.000 0.844 730 D CB 0.451 41.279 40.800 0.047 0.000 0.925 730 D HN 0.450 nan 8.370 nan 0.000 0.513 731 E N 0.127 120.348 120.200 0.035 0.000 2.371 731 E HA 0.004 4.355 4.350 0.000 0.000 0.257 731 E C -0.170 176.396 176.600 -0.058 0.000 1.134 731 E CA -0.299 56.094 56.400 -0.012 0.000 0.919 731 E CB 0.591 30.268 29.700 -0.039 0.000 1.025 731 E HN -0.032 nan 8.360 nan 0.000 0.438 732 D N 2.210 122.505 120.400 -0.175 0.000 2.600 732 D HA 0.230 4.870 4.640 0.000 0.000 0.226 732 D C -0.537 175.324 176.300 -0.733 0.000 1.119 732 D CA 0.532 54.278 54.000 -0.424 0.000 1.051 732 D CB -0.606 39.984 40.800 -0.351 0.000 1.106 732 D HN 0.345 nan 8.370 nan 0.000 0.491 733 I N 0.543 120.647 120.570 -0.777 0.000 3.069 733 I HA 0.247 4.417 4.170 0.000 0.000 0.321 733 I C -1.653 174.391 176.117 -0.122 0.000 1.566 733 I CA -0.786 60.182 61.300 -0.553 0.000 0.924 733 I CB 1.024 38.715 38.000 -0.514 0.000 1.258 733 I HN -0.215 nan 8.210 nan 0.000 0.505 734 I N 2.137 122.667 120.570 -0.067 0.000 2.497 734 I HA 0.520 4.690 4.170 0.000 0.000 0.284 734 I C 0.375 176.495 176.117 0.005 0.000 1.060 734 I CA -0.008 61.328 61.300 0.061 0.000 1.071 734 I CB 1.476 39.548 38.000 0.120 0.000 1.216 734 I HN 0.549 nan 8.210 nan 0.000 0.442 735 A N 4.531 127.362 122.820 0.019 0.000 2.482 735 A HA 0.059 4.379 4.320 0.000 0.000 0.249 735 A C 1.389 178.986 177.584 0.021 0.000 1.114 735 A CA 0.134 52.177 52.037 0.010 0.000 0.797 735 A CB 0.187 19.201 19.000 0.022 0.000 1.067 735 A HN 0.799 nan 8.150 nan 0.000 0.514 736 E N -0.344 119.869 120.200 0.021 0.000 2.472 736 E HA -0.133 4.218 4.350 0.000 0.000 0.200 736 E C 0.959 177.578 176.600 0.032 0.000 1.046 736 E CA 0.973 57.390 56.400 0.028 0.000 0.871 736 E CB -0.016 29.700 29.700 0.027 0.000 0.806 736 E HN 0.711 nan 8.360 nan 0.000 0.533 737 E N -0.424 119.795 120.200 0.032 0.000 2.502 737 E HA -0.005 4.345 4.350 0.000 0.000 0.194 737 E C 0.470 177.090 176.600 0.034 0.000 1.062 737 E CA 0.399 56.819 56.400 0.032 0.000 0.867 737 E CB 0.203 29.921 29.700 0.030 0.000 0.888 737 E HN 0.275 nan 8.360 nan 0.000 0.510 738 N N -1.090 117.635 118.700 0.041 0.000 2.011 738 N HA 0.171 4.911 4.740 0.000 0.000 0.228 738 N C -0.449 175.093 175.510 0.053 0.000 1.378 738 N CA -0.166 52.911 53.050 0.044 0.000 0.852 738 N CB 0.934 39.449 38.487 0.047 0.000 1.111 738 N HN -0.032 nan 8.380 nan 0.000 0.497 739 I N 2.282 122.886 120.570 0.057 0.000 2.472 739 I HA 0.049 4.219 4.170 0.000 0.000 0.305 739 I C -0.089 176.062 176.117 0.057 0.000 1.196 739 I CA -0.166 61.175 61.300 0.069 0.000 1.613 739 I CB -0.447 37.598 38.000 0.074 0.000 1.501 739 I HN -0.152 nan 8.210 nan 0.000 0.754 740 V N 4.614 124.560 119.914 0.053 0.000 2.673 740 V HA -0.046 4.075 4.120 0.000 0.000 0.303 740 V C 0.869 176.989 176.094 0.044 0.000 1.046 740 V CA 0.281 62.606 62.300 0.041 0.000 1.126 740 V CB 0.789 32.633 31.823 0.035 0.000 0.934 740 V HN 0.652 nan 8.190 nan 0.000 0.487 741 S N 5.185 120.905 115.700 0.034 0.000 2.525 741 S HA 0.422 4.892 4.470 0.000 0.000 0.278 741 S C 0.206 174.826 174.600 0.035 0.000 1.234 741 S CA -0.818 57.403 58.200 0.035 0.000 1.058 741 S CB 0.787 64.001 63.200 0.023 0.000 0.983 741 S HN 0.610 nan 8.310 nan 0.000 0.495 742 R N 2.253 122.779 120.500 0.044 0.000 2.429 742 R HA 0.135 4.475 4.340 0.000 0.000 0.302 742 R C 0.397 176.732 176.300 0.059 0.000 1.268 742 R CA -0.096 56.033 56.100 0.049 0.000 1.090 742 R CB -0.120 30.212 30.300 0.054 0.000 1.102 742 R HN 0.725 nan 8.270 nan 0.000 0.522 743 S N 0.303 116.035 115.700 0.052 0.000 2.557 743 S HA 0.084 4.554 4.470 0.000 0.000 0.223 743 S C 0.467 175.128 174.600 0.101 0.000 0.969 743 S CA -0.428 57.811 58.200 0.065 0.000 0.927 743 S CB 0.460 63.682 63.200 0.037 0.000 0.806 743 S HN 0.358 nan 8.310 nan 0.000 0.489 744 E N 1.702 121.961 120.200 0.098 0.000 2.261 744 E HA 0.230 4.580 4.350 0.000 0.000 0.308 744 E C 0.102 176.822 176.600 0.200 0.000 1.400 744 E CA -0.461 56.004 56.400 0.109 0.000 1.542 744 E CB -0.431 29.298 29.700 0.049 0.000 1.369 744 E HN 0.514 nan 8.360 nan 0.000 0.493 745 F N 2.708 122.702 119.950 0.073 0.000 2.171 745 F HA -0.019 4.508 4.527 0.000 0.000 0.300 745 F C -1.138 174.743 175.800 0.134 0.000 1.090 745 F CA -0.109 57.941 58.000 0.084 0.000 1.293 745 F CB -0.832 38.203 39.000 0.058 0.000 1.013 745 F HN 0.127 nan 8.300 nan 0.000 0.486 746 P HA 0.009 nan 4.420 nan 0.000 0.268 746 P C -0.145 177.238 177.300 0.138 0.000 1.205 746 P CA 0.265 63.358 63.100 -0.010 0.000 0.771 746 P CB 0.984 32.749 31.700 0.108 0.000 0.858 747 E N 0.896 121.153 120.200 0.095 0.000 2.072 747 E HA -0.052 4.298 4.350 0.000 0.000 0.190 747 E C 0.604 177.401 176.600 0.328 0.000 0.982 747 E CA 0.612 57.169 56.400 0.261 0.000 0.803 747 E CB -0.386 29.369 29.700 0.091 0.000 0.755 747 E HN 0.525 nan 8.360 nan 0.000 0.453 748 S N 1.377 117.184 115.700 0.180 0.000 2.499 748 S HA 0.445 4.915 4.470 0.000 0.000 0.279 748 S C -0.397 174.328 174.600 0.209 0.000 1.219 748 S CA -0.954 57.309 58.200 0.106 0.000 1.062 748 S CB 0.374 63.573 63.200 -0.002 0.000 0.978 748 S HN 0.466 nan 8.310 nan 0.000 0.489 749 W N 1.317 122.600 121.300 -0.029 0.000 2.881 749 W HA 0.450 5.110 4.660 0.000 0.000 0.380 749 W C -0.782 175.727 176.519 -0.016 0.000 1.170 749 W CA -1.320 55.988 57.345 -0.062 0.000 1.171 749 W CB 0.029 29.374 29.460 -0.192 0.000 1.464 749 W HN 0.942 nan 8.180 nan 0.000 0.574 750 L N 1.725 123.063 121.223 0.191 0.000 3.781 750 L HA -0.235 4.105 4.340 0.000 0.000 0.426 750 L C 0.055 176.877 176.870 -0.081 0.000 1.197 750 L CA 0.644 55.465 54.840 -0.032 0.000 0.907 750 L CB -1.135 40.656 42.059 -0.447 0.000 1.812 750 L HN 0.571 nan 8.230 nan 0.000 0.956 751 W N 2.660 123.881 121.300 -0.132 0.000 1.438 751 W HA 0.276 4.936 4.660 0.000 0.000 0.455 751 W C 0.244 176.723 176.519 -0.067 0.000 0.656 751 W CA -0.392 56.885 57.345 -0.114 0.000 2.049 751 W CB -0.432 28.980 29.460 -0.080 0.000 1.683 751 W HN 0.505 nan 8.180 nan 0.000 0.228 752 N N 0.745 119.372 118.700 -0.122 0.000 2.477 752 N HA 0.463 5.203 4.740 0.000 0.000 0.284 752 N C -1.280 174.131 175.510 -0.164 0.000 1.182 752 N CA -0.828 52.174 53.050 -0.079 0.000 0.949 752 N CB 2.253 40.715 38.487 -0.041 0.000 1.204 752 N HN -0.208 nan 8.380 nan 0.000 0.526 753 V N 1.573 121.431 119.914 -0.093 0.000 2.443 753 V HA 0.326 4.446 4.120 0.000 0.000 0.293 753 V C -0.945 175.111 176.094 -0.064 0.000 1.021 753 V CA -0.508 61.731 62.300 -0.102 0.000 0.848 753 V CB 1.251 33.026 31.823 -0.080 0.000 0.998 753 V HN 0.629 nan 8.190 nan 0.000 0.424 754 E N 2.962 123.119 120.200 -0.071 0.000 2.275 754 E HA 0.543 4.893 4.350 0.000 0.000 0.270 754 E C -1.518 175.054 176.600 -0.046 0.000 0.882 754 E CA -0.772 55.599 56.400 -0.049 0.000 0.758 754 E CB 2.814 32.487 29.700 -0.045 0.000 1.195 754 E HN 0.549 nan 8.360 nan 0.000 0.419 755 D N 0.938 121.318 120.400 -0.033 0.000 2.385 755 D HA 0.342 4.982 4.640 0.000 0.000 0.254 755 D C 0.177 176.461 176.300 -0.025 0.000 1.053 755 D CA -0.584 53.398 54.000 -0.030 0.000 0.992 755 D CB 1.171 41.957 40.800 -0.024 0.000 1.145 755 D HN 0.213 nan 8.370 nan 0.000 0.523 756 L N 2.286 123.495 121.223 -0.024 0.000 2.399 756 L HA 0.102 4.442 4.340 0.000 0.000 0.257 756 L C 1.510 178.370 176.870 -0.016 0.000 1.236 756 L CA -0.180 54.648 54.840 -0.020 0.000 1.144 756 L CB 0.138 42.185 42.059 -0.020 0.000 1.379 756 L HN 0.118 nan 8.230 nan 0.000 0.414 757 K N 1.236 121.627 120.400 -0.014 0.000 2.031 757 K HA -0.037 4.283 4.320 0.000 0.000 0.205 757 K C 0.470 177.063 176.600 -0.010 0.000 1.049 757 K CA 0.648 56.928 56.287 -0.011 0.000 0.939 757 K CB 0.043 32.537 32.500 -0.010 0.000 0.717 757 K HN 0.489 nan 8.250 nan 0.000 0.438 758 E N 1.595 121.789 120.200 -0.010 0.000 2.508 758 E HA -0.050 4.300 4.350 0.000 0.000 0.266 758 E C -2.349 174.245 176.600 -0.010 0.000 1.010 758 E CA -0.942 55.453 56.400 -0.010 0.000 0.955 758 E CB -0.535 29.159 29.700 -0.010 0.000 0.946 758 E HN 0.033 nan 8.360 nan 0.000 0.454 759 P HA 0.106 nan 4.420 nan 0.000 0.267 759 P C -2.327 174.967 177.300 -0.009 0.000 1.205 759 P CA -0.827 62.267 63.100 -0.009 0.000 0.765 759 P CB 0.137 31.832 31.700 -0.007 0.000 0.828 760 P HA 0.354 nan 4.420 nan 0.000 0.296 760 P C -1.232 176.063 177.300 -0.010 0.000 1.301 760 P CA -0.751 62.343 63.100 -0.010 0.000 0.862 760 P CB 1.615 33.309 31.700 -0.011 0.000 1.046 761 K N 2.227 122.621 120.400 -0.010 0.000 2.293 761 K HA 0.327 4.647 4.320 0.000 0.000 0.267 761 K C -0.202 176.393 176.600 -0.010 0.000 1.010 761 K CA -0.666 55.616 56.287 -0.009 0.000 0.875 761 K CB 0.458 32.952 32.500 -0.009 0.000 1.106 761 K HN 0.405 nan 8.250 nan 0.000 0.450 762 N N 1.676 120.370 118.700 -0.009 0.000 2.776 762 N HA -0.204 4.537 4.740 0.000 0.000 0.249 762 N C 0.289 175.793 175.510 -0.010 0.000 1.111 762 N CA 0.186 53.230 53.050 -0.009 0.000 0.711 762 N CB -1.308 37.173 38.487 -0.009 0.000 1.065 762 N HN 1.050 nan 8.380 nan 0.000 0.556 763 G N -0.407 108.387 108.800 -0.010 0.000 2.246 763 G HA2 -0.251 3.709 3.960 0.000 0.000 0.273 763 G HA3 -0.251 3.709 3.960 0.000 0.000 0.273 763 G C -0.263 174.630 174.900 -0.012 0.000 1.055 763 G CA 0.465 45.559 45.100 -0.011 0.000 0.851 763 G HN 0.508 nan 8.290 nan 0.000 0.500 764 I N 0.476 121.039 120.570 -0.012 0.000 2.529 764 I HA 0.334 4.504 4.170 0.000 0.000 0.284 764 I C 0.008 176.117 176.117 -0.014 0.000 1.088 764 I CA -0.519 60.773 61.300 -0.013 0.000 1.062 764 I CB 1.609 39.601 38.000 -0.013 0.000 1.218 764 I HN 0.056 nan 8.210 nan 0.000 0.442 765 S N 3.874 119.565 115.700 -0.015 0.000 2.509 765 S HA 0.619 5.090 4.470 0.000 0.000 0.297 765 S C 0.109 174.700 174.600 -0.015 0.000 1.118 765 S CA -0.467 57.724 58.200 -0.015 0.000 1.074 765 S CB 1.803 64.994 63.200 -0.015 0.000 1.038 765 S HN 0.554 nan 8.310 nan 0.000 0.498 766 T N 3.182 117.727 114.554 -0.015 0.000 2.772 766 T HA 0.412 4.762 4.350 0.000 0.000 0.288 766 T C -0.387 174.304 174.700 -0.015 0.000 0.994 766 T CA -0.618 61.473 62.100 -0.015 0.000 0.951 766 T CB 0.701 69.560 68.868 -0.015 0.000 0.933 766 T HN 0.384 nan 8.240 nan 0.000 0.447 767 K N 3.566 123.957 120.400 -0.015 0.000 2.292 767 K HA 0.584 4.905 4.320 0.000 0.000 0.257 767 K C -1.149 175.443 176.600 -0.014 0.000 0.940 767 K CA -0.783 55.495 56.287 -0.015 0.000 0.811 767 K CB 1.034 33.523 32.500 -0.017 0.000 1.120 767 K HN 0.513 nan 8.250 nan 0.000 0.428 768 L N 5.411 126.625 121.223 -0.014 0.000 2.305 768 L HA 0.489 4.829 4.340 0.000 0.000 0.284 768 L C -0.421 176.438 176.870 -0.017 0.000 1.013 768 L CA -0.561 54.270 54.840 -0.015 0.000 0.819 768 L CB 1.507 43.556 42.059 -0.017 0.000 1.227 768 L HN 0.587 nan 8.230 nan 0.000 0.417 769 M N 3.236 122.825 119.600 -0.019 0.000 2.321 769 M HA 0.308 4.788 4.480 0.000 0.000 0.315 769 M C -0.585 175.685 176.300 -0.050 0.000 1.052 769 M CA -0.307 54.978 55.300 -0.025 0.000 0.936 769 M CB 2.337 34.928 32.600 -0.015 0.000 1.639 769 M HN 0.470 nan 8.290 nan 0.000 0.433 770 N N 4.207 122.857 118.700 -0.084 0.000 2.645 770 N HA 0.386 5.126 4.740 0.000 0.000 0.233 770 N C -0.919 174.407 175.510 -0.306 0.000 1.058 770 N CA -0.394 52.544 53.050 -0.188 0.000 0.942 770 N CB 0.558 38.923 38.487 -0.204 0.000 1.210 770 N HN 0.482 nan 8.380 nan 0.000 0.512 771 I N -0.937 119.498 120.570 -0.226 0.000 2.577 771 I HA 0.422 4.593 4.170 0.000 0.000 0.300 771 I C -0.728 175.198 176.117 -0.319 0.000 0.990 771 I CA -0.635 60.574 61.300 -0.152 0.000 1.283 771 I CB 0.713 38.750 38.000 0.062 0.000 1.411 771 I HN 0.138 nan 8.210 nan 0.000 0.515 772 F N 5.121 125.069 119.950 -0.004 0.000 2.291 772 F HA 0.440 4.967 4.527 0.000 0.000 0.368 772 F C 0.222 175.904 175.800 -0.196 0.000 1.085 772 F CA -0.602 57.359 58.000 -0.065 0.000 1.165 772 F CB 0.657 39.620 39.000 -0.061 0.000 1.429 772 F HN 0.346 nan 8.300 nan 0.000 0.503 773 L N 4.665 125.840 121.223 -0.080 0.000 2.678 773 L HA -0.104 4.236 4.340 0.000 0.000 0.285 773 L C 0.841 177.458 176.870 -0.421 0.000 1.233 773 L CA 0.137 54.806 54.840 -0.285 0.000 0.920 773 L CB 0.152 42.190 42.059 -0.035 0.000 1.176 773 L HN 0.451 nan 8.230 nan 0.000 0.495 774 K N 2.791 122.600 120.400 -0.984 0.000 2.285 774 K HA -0.067 4.254 4.320 0.000 0.000 0.255 774 K C 0.664 177.190 176.600 -0.124 0.000 1.000 774 K CA -0.067 55.813 56.287 -0.679 0.000 0.887 774 K CB 0.285 32.085 32.500 -1.166 0.000 0.997 774 K HN 0.463 nan 8.250 nan 0.000 0.510 775 D N -0.041 120.338 120.400 -0.035 0.000 2.277 775 D HA -0.052 4.588 4.640 0.000 0.000 0.208 775 D C 0.199 176.544 176.300 0.076 0.000 0.962 775 D CA 0.633 54.654 54.000 0.034 0.000 0.865 775 D CB 0.053 40.867 40.800 0.022 0.000 0.939 775 D HN 0.226 nan 8.370 nan 0.000 0.510 776 S N 0.308 116.112 115.700 0.173 0.000 2.546 776 S HA 0.069 4.539 4.470 0.000 0.000 0.290 776 S C 0.641 175.121 174.600 -0.199 0.000 1.290 776 S CA -0.099 58.102 58.200 0.002 0.000 1.069 776 S CB 0.262 63.415 63.200 -0.077 0.000 0.846 776 S HN 0.095 nan 8.310 nan 0.000 0.495 777 I N 4.580 124.960 120.570 -0.316 0.000 2.317 777 I HA 0.215 4.386 4.170 0.000 0.000 0.286 777 I C 0.760 176.555 176.117 -0.535 0.000 1.119 777 I CA -0.106 60.896 61.300 -0.497 0.000 1.228 777 I CB 0.154 37.645 38.000 -0.849 0.000 1.476 777 I HN 0.610 nan 8.210 nan 0.000 0.514 778 T N 2.258 116.482 114.554 -0.549 0.000 2.606 778 T HA 0.354 4.704 4.350 0.000 0.000 0.232 778 T C -0.521 173.908 174.700 -0.451 0.000 0.853 778 T CA -0.065 61.746 62.100 -0.482 0.000 1.301 778 T CB 1.828 70.397 68.868 -0.498 0.000 1.633 778 T HN 0.191 nan 8.240 nan 0.000 0.448 779 T N 1.921 116.229 114.554 -0.410 0.000 3.009 779 T HA 0.411 4.761 4.350 0.000 0.000 0.346 779 T C -1.208 173.392 174.700 -0.166 0.000 1.092 779 T CA -0.385 61.568 62.100 -0.245 0.000 1.080 779 T CB -0.206 68.588 68.868 -0.124 0.000 1.037 779 T HN 0.465 nan 8.240 nan 0.000 0.487 780 W N 2.528 123.848 121.300 0.034 0.000 2.347 780 W HA 0.229 4.889 4.660 0.000 0.000 0.333 780 W C 0.948 177.426 176.519 -0.068 0.000 1.383 780 W CA -0.424 56.950 57.345 0.048 0.000 1.283 780 W CB 0.313 29.897 29.460 0.207 0.000 1.253 780 W HN 0.528 nan 8.180 nan 0.000 0.563 781 E N 3.856 124.123 120.200 0.112 0.000 2.191 781 E HA 0.432 4.782 4.350 0.000 0.000 0.274 781 E C -0.132 176.382 176.600 -0.143 0.000 0.948 781 E CA -0.596 55.770 56.400 -0.056 0.000 0.802 781 E CB 1.009 30.687 29.700 -0.037 0.000 1.137 781 E HN 0.424 nan 8.360 nan 0.000 0.397 782 I N 2.302 122.697 120.570 -0.292 0.000 4.411 782 I HA 0.416 4.586 4.170 0.000 0.000 0.208 782 I C -0.631 175.359 176.117 -0.212 0.000 1.580 782 I CA -0.957 60.148 61.300 -0.325 0.000 0.988 782 I CB 0.459 38.161 38.000 -0.497 0.000 1.771 782 I HN 0.492 nan 8.210 nan 0.000 0.768 783 L N 0.551 121.655 121.223 -0.199 0.000 5.624 783 L HA 0.394 4.734 4.340 0.000 0.000 0.236 783 L C -1.679 175.090 176.870 -0.169 0.000 1.198 783 L CA 0.035 54.788 54.840 -0.145 0.000 0.773 783 L CB -0.495 41.494 42.059 -0.116 0.000 1.477 783 L HN 0.738 nan 8.230 nan 0.000 0.253 784 A N 3.842 126.582 122.820 -0.134 0.000 2.587 784 A HA 0.976 5.297 4.320 0.000 0.000 0.293 784 A C -1.659 175.858 177.584 -0.112 0.000 1.087 784 A CA -0.336 51.612 52.037 -0.149 0.000 0.692 784 A CB 2.331 21.250 19.000 -0.134 0.000 1.291 784 A HN 1.064 nan 8.150 nan 0.000 0.407 785 V N 1.568 121.408 119.914 -0.123 0.000 2.577 785 V HA 0.630 4.750 4.120 0.000 0.000 0.303 785 V C 0.144 176.189 176.094 -0.081 0.000 1.042 785 V CA -0.225 62.021 62.300 -0.090 0.000 0.872 785 V CB 1.873 33.644 31.823 -0.086 0.000 0.998 785 V HN 1.190 nan 8.190 nan 0.000 0.423 786 S N 5.471 121.136 115.700 -0.059 0.000 2.429 786 S HA 0.723 5.193 4.470 0.000 0.000 0.302 786 S C -0.641 173.934 174.600 -0.041 0.000 1.115 786 S CA -0.564 57.606 58.200 -0.050 0.000 1.095 786 S CB 1.137 64.313 63.200 -0.040 0.000 0.987 786 S HN 0.706 nan 8.310 nan 0.000 0.474 787 M N 4.783 124.359 119.600 -0.041 0.000 2.055 787 M HA 0.473 4.953 4.480 0.000 0.000 0.346 787 M C -0.500 175.783 176.300 -0.027 0.000 1.074 787 M CA -0.084 55.197 55.300 -0.032 0.000 1.009 787 M CB 1.030 33.611 32.600 -0.032 0.000 1.423 787 M HN 0.663 nan 8.290 nan 0.000 0.410 788 S N 2.596 118.282 115.700 -0.023 0.000 2.437 788 S HA 0.327 4.798 4.470 0.000 0.000 0.305 788 S C 0.590 175.180 174.600 -0.017 0.000 1.109 788 S CA -0.676 57.512 58.200 -0.020 0.000 1.099 788 S CB 0.661 63.850 63.200 -0.019 0.000 1.004 788 S HN 0.819 nan 8.310 nan 0.000 0.475 789 D N 4.761 125.152 120.400 -0.015 0.000 2.133 789 D HA -0.192 4.448 4.640 0.000 0.000 0.195 789 D C 1.375 177.667 176.300 -0.012 0.000 0.997 789 D CA 1.597 55.589 54.000 -0.013 0.000 0.840 789 D CB -0.017 40.776 40.800 -0.012 0.000 0.947 789 D HN 0.539 nan 8.370 nan 0.000 0.452 790 K N 0.073 120.466 120.400 -0.012 0.000 1.980 790 K HA 0.033 4.353 4.320 0.000 0.000 0.208 790 K C 0.856 177.449 176.600 -0.012 0.000 1.043 790 K CA 0.782 57.062 56.287 -0.011 0.000 0.938 790 K CB 0.046 32.540 32.500 -0.011 0.000 0.724 790 K HN -0.022 nan 8.250 nan 0.000 0.438 791 K N 1.934 122.327 120.400 -0.013 0.000 3.001 791 K HA 0.154 4.474 4.320 0.000 0.000 0.257 791 K C 0.772 177.363 176.600 -0.015 0.000 1.290 791 K CA 0.217 56.496 56.287 -0.014 0.000 1.252 791 K CB 0.020 32.512 32.500 -0.014 0.000 1.656 791 K HN 0.412 nan 8.250 nan 0.000 0.351 792 G N 2.345 111.137 108.800 -0.014 0.000 2.808 792 G HA2 -0.328 3.632 3.960 0.000 0.000 0.470 792 G HA3 -0.328 3.632 3.960 0.000 0.000 0.470 792 G C 0.284 175.174 174.900 -0.017 0.000 1.041 792 G CA 0.638 45.729 45.100 -0.014 0.000 0.839 792 G HN 0.556 nan 8.290 nan 0.000 0.825 793 I N -0.852 119.708 120.570 -0.017 0.000 2.689 793 I HA 0.591 4.762 4.170 0.000 0.000 0.299 793 I C -0.508 175.597 176.117 -0.020 0.000 1.059 793 I CA -0.974 60.314 61.300 -0.021 0.000 1.055 793 I CB 1.933 39.921 38.000 -0.021 0.000 1.243 793 I HN 0.759 nan 8.210 nan 0.000 0.425 794 C N 6.303 125.589 119.300 -0.024 0.000 2.802 794 C HA 0.692 5.152 4.460 0.000 0.000 0.307 794 C C -1.030 173.944 174.990 -0.027 0.000 1.222 794 C CA -0.433 58.572 59.018 -0.022 0.000 1.580 794 C CB 1.741 29.468 27.740 -0.021 0.000 2.119 794 C HN 0.606 nan 8.230 nan 0.000 0.479 795 V N 5.277 125.177 119.914 -0.023 0.000 2.293 795 V HA 0.690 4.811 4.120 0.000 0.000 0.275 795 V C 0.483 176.565 176.094 -0.020 0.000 1.021 795 V CA 0.140 62.424 62.300 -0.026 0.000 0.815 795 V CB 0.912 32.722 31.823 -0.022 0.000 1.025 795 V HN 1.206 nan 8.190 nan 0.000 0.448 796 A N 5.684 128.490 122.820 -0.024 0.000 3.004 796 A HA 0.410 4.730 4.320 0.000 0.000 0.286 796 A C 0.320 177.901 177.584 -0.006 0.000 1.632 796 A CA -0.460 51.571 52.037 -0.009 0.000 1.339 796 A CB -0.721 18.273 19.000 -0.011 0.000 1.136 796 A HN 1.017 nan 8.150 nan 0.000 0.577 797 D N 2.285 122.685 120.400 -0.001 0.000 2.525 797 D HA 0.156 4.796 4.640 0.000 0.000 0.235 797 D C -2.188 174.122 176.300 0.016 0.000 1.137 797 D CA -1.232 52.766 54.000 -0.004 0.000 0.868 797 D CB 0.129 40.930 40.800 0.001 0.000 1.180 797 D HN 0.295 nan 8.370 nan 0.000 0.465 798 P HA 0.069 nan 4.420 nan 0.000 0.271 798 P C -0.024 177.261 177.300 -0.026 0.000 1.218 798 P CA -0.411 62.639 63.100 -0.084 0.000 0.780 798 P CB 0.449 32.042 31.700 -0.177 0.000 0.901 799 F N 0.265 120.208 119.950 -0.011 0.000 2.506 799 F HA 0.570 5.097 4.527 0.000 0.000 0.215 799 F C -0.026 175.782 175.800 0.012 0.000 1.168 799 F CA -0.203 57.796 58.000 -0.001 0.000 0.942 799 F CB -0.106 38.893 39.000 -0.001 0.000 1.083 799 F HN 0.224 nan 8.300 nan 0.000 0.661 800 E N -0.211 120.114 120.200 0.208 0.000 2.879 800 E HA 0.303 4.653 4.350 0.000 0.000 0.345 800 E C -2.004 174.811 176.600 0.359 0.000 0.955 800 E CA -0.336 56.146 56.400 0.136 0.000 0.801 800 E CB 2.153 31.932 29.700 0.132 0.000 1.324 800 E HN 0.226 nan 8.360 nan 0.000 0.417 801 V N 2.877 122.925 119.914 0.224 0.000 2.294 801 V HA 0.234 4.355 4.120 0.000 0.000 0.272 801 V C 0.238 176.440 176.094 0.181 0.000 1.027 801 V CA -0.326 62.144 62.300 0.283 0.000 0.823 801 V CB 1.322 33.341 31.823 0.326 0.000 1.030 801 V HN 0.629 nan 8.190 nan 0.000 0.457 802 T N 4.802 119.420 114.554 0.107 0.000 2.901 802 T HA 0.335 4.685 4.350 0.000 0.000 0.301 802 T C 0.019 174.728 174.700 0.015 0.000 1.012 802 T CA 0.021 62.132 62.100 0.018 0.000 1.135 802 T CB 1.115 69.973 68.868 -0.016 0.000 0.936 802 T HN 0.352 nan 8.240 nan 0.000 0.539 803 V N 5.572 125.449 119.914 -0.061 0.000 2.326 803 V HA 0.537 4.657 4.120 0.000 0.000 0.281 803 V C -0.091 175.907 176.094 -0.161 0.000 1.015 803 V CA -0.544 61.722 62.300 -0.058 0.000 0.823 803 V CB 1.070 32.877 31.823 -0.026 0.000 1.009 803 V HN 0.837 nan 8.190 nan 0.000 0.436 804 M N 3.554 123.092 119.600 -0.103 0.000 2.664 804 M HA 0.587 5.067 4.480 0.000 0.000 0.279 804 M C -1.344 174.961 176.300 0.009 0.000 1.275 804 M CA -0.427 54.801 55.300 -0.120 0.000 0.829 804 M CB 3.067 35.618 32.600 -0.081 0.000 1.727 804 M HN 0.726 nan 8.290 nan 0.000 0.459 805 Q N -0.236 119.655 119.800 0.153 0.000 2.693 805 Q HA 0.272 4.612 4.340 0.000 0.000 0.306 805 Q C -0.914 175.330 176.000 0.407 0.000 0.969 805 Q CA -0.566 55.391 55.803 0.258 0.000 0.757 805 Q CB 1.868 30.753 28.738 0.245 0.000 1.494 805 Q HN 0.735 nan 8.270 nan 0.000 0.459 806 D N 0.003 120.593 120.400 0.316 0.000 2.277 806 D HA 0.096 4.736 4.640 0.000 0.000 0.208 806 D C -0.384 176.119 176.300 0.338 0.000 0.962 806 D CA 1.146 55.312 54.000 0.277 0.000 0.865 806 D CB 0.243 41.145 40.800 0.170 0.000 0.939 806 D HN 0.242 nan 8.370 nan 0.000 0.510 807 F N 0.588 120.642 119.950 0.175 0.000 2.683 807 F HA 0.344 4.871 4.527 0.000 0.000 0.333 807 F C -1.832 174.063 175.800 0.158 0.000 1.160 807 F CA -1.228 56.784 58.000 0.020 0.000 1.099 807 F CB 0.363 39.359 39.000 -0.005 0.000 1.344 807 F HN -0.183 nan 8.300 nan 0.000 0.534 808 F N 4.205 123.848 119.950 -0.511 0.000 2.894 808 F HA 0.856 5.383 4.527 0.000 0.000 0.332 808 F C -1.746 173.771 175.800 -0.472 0.000 1.192 808 F CA -1.555 56.217 58.000 -0.380 0.000 0.980 808 F CB 1.437 40.384 39.000 -0.088 0.000 1.448 808 F HN 0.216 nan 8.300 nan 0.000 0.514 809 I N 0.866 121.489 120.570 0.088 0.000 2.534 809 I HA 0.203 4.374 4.170 0.000 0.000 0.288 809 I C -1.497 174.755 176.117 0.224 0.000 1.077 809 I CA -0.408 60.913 61.300 0.035 0.000 1.051 809 I CB 1.890 39.883 38.000 -0.011 0.000 1.234 809 I HN 0.609 nan 8.210 nan 0.000 0.425 810 D N 6.658 127.213 120.400 0.259 0.000 2.767 810 D HA 0.165 4.805 4.640 0.000 0.000 0.241 810 D C -0.309 176.095 176.300 0.174 0.000 1.187 810 D CA -0.474 53.699 54.000 0.289 0.000 0.999 810 D CB 0.248 41.339 40.800 0.486 0.000 1.042 810 D HN 0.236 nan 8.370 nan 0.000 0.510 811 L N 3.021 124.318 121.223 0.124 0.000 2.742 811 L HA 0.077 4.417 4.340 0.000 0.000 0.275 811 L C 0.246 177.155 176.870 0.064 0.000 1.141 811 L CA 0.526 55.409 54.840 0.072 0.000 0.987 811 L CB -0.228 41.848 42.059 0.027 0.000 1.319 811 L HN 0.126 nan 8.230 nan 0.000 0.478 812 R N 5.522 126.062 120.500 0.067 0.000 2.593 812 R HA 0.284 4.624 4.340 0.000 0.000 0.282 812 R C -1.011 175.298 176.300 0.014 0.000 1.300 812 R CA -0.824 55.317 56.100 0.068 0.000 1.221 812 R CB 0.121 30.473 30.300 0.086 0.000 1.157 812 R HN 0.366 nan 8.270 nan 0.000 0.555 813 L N 3.941 125.135 121.223 -0.048 0.000 2.325 813 L HA 0.449 4.789 4.340 0.000 0.000 0.279 813 L C -1.737 175.094 176.870 -0.066 0.000 1.054 813 L CA -2.230 52.546 54.840 -0.107 0.000 0.804 813 L CB 0.650 42.571 42.059 -0.230 0.000 1.200 813 L HN 0.331 nan 8.230 nan 0.000 0.436 814 P HA 0.072 nan 4.420 nan 0.000 0.274 814 P C 0.300 177.626 177.300 0.044 0.000 1.256 814 P CA -0.292 62.828 63.100 0.034 0.000 0.795 814 P CB 0.375 32.092 31.700 0.029 0.000 1.038 815 Y N 0.382 120.695 120.300 0.021 0.000 2.403 815 Y HA -0.071 4.479 4.550 0.000 0.000 0.291 815 Y C 0.301 176.208 175.900 0.013 0.000 1.143 815 Y CA 1.457 59.578 58.100 0.036 0.000 1.257 815 Y CB 0.210 38.706 38.460 0.060 0.000 0.984 815 Y HN 0.433 nan 8.280 nan 0.000 0.550 816 S N -1.093 114.589 115.700 -0.030 0.000 2.595 816 S HA 0.581 5.052 4.470 0.000 0.000 0.270 816 S C -1.288 173.306 174.600 -0.009 0.000 1.145 816 S CA -0.532 57.614 58.200 -0.090 0.000 0.825 816 S CB 1.516 64.663 63.200 -0.087 0.000 1.107 816 S HN 0.610 nan 8.310 nan 0.000 0.461 817 V N -1.201 118.706 119.914 -0.011 0.000 2.733 817 V HA 0.820 4.940 4.120 0.000 0.000 0.306 817 V C -0.306 175.800 176.094 0.019 0.000 1.084 817 V CA -0.898 61.413 62.300 0.018 0.000 0.905 817 V CB 1.006 32.847 31.823 0.030 0.000 1.010 817 V HN 0.949 nan 8.190 nan 0.000 0.424 818 V N 4.056 123.980 119.914 0.016 0.000 2.999 818 V HA 0.254 4.374 4.120 0.000 0.000 0.307 818 V C 0.960 177.055 176.094 0.002 0.000 1.084 818 V CA -0.116 62.184 62.300 0.000 0.000 1.155 818 V CB 0.863 32.686 31.823 0.001 0.000 0.975 818 V HN 1.112 nan 8.190 nan 0.000 0.490 819 R N 3.423 123.911 120.500 -0.020 0.000 2.340 819 R HA 0.256 4.596 4.340 0.000 0.000 0.300 819 R C 0.553 176.838 176.300 -0.024 0.000 1.069 819 R CA 0.625 56.707 56.100 -0.030 0.000 0.984 819 R CB -0.143 30.122 30.300 -0.059 0.000 1.003 819 R HN 0.976 nan 8.270 nan 0.000 0.459 820 N N 1.205 119.894 118.700 -0.019 0.000 2.949 820 N HA -0.160 4.580 4.740 0.000 0.000 0.192 820 N C -1.170 174.332 175.510 -0.014 0.000 0.979 820 N CA 0.726 53.765 53.050 -0.018 0.000 1.027 820 N CB -0.517 37.959 38.487 -0.020 0.000 0.992 820 N HN 0.664 nan 8.380 nan 0.000 0.567 821 E N 1.676 121.874 120.200 -0.004 0.000 2.197 821 E HA 0.196 4.546 4.350 0.000 0.000 0.281 821 E C -0.332 176.261 176.600 -0.011 0.000 0.995 821 E CA -0.264 56.134 56.400 -0.003 0.000 0.808 821 E CB 1.490 31.199 29.700 0.016 0.000 1.093 821 E HN 0.117 nan 8.360 nan 0.000 0.394 822 Q N 3.032 122.796 119.800 -0.059 0.000 2.288 822 Q HA 0.268 4.608 4.340 0.000 0.000 0.258 822 Q C -0.439 175.529 176.000 -0.053 0.000 0.957 822 Q CA -0.446 55.285 55.803 -0.118 0.000 0.919 822 Q CB 0.755 29.315 28.738 -0.297 0.000 1.185 822 Q HN 0.441 nan 8.270 nan 0.000 0.408 823 V N 0.705 120.630 119.914 0.019 0.000 3.624 823 V HA 0.656 4.777 4.120 0.000 0.000 0.297 823 V C -0.846 175.380 176.094 0.221 0.000 1.319 823 V CA -0.815 61.569 62.300 0.139 0.000 0.990 823 V CB 1.706 33.579 31.823 0.083 0.000 1.247 823 V HN 0.907 nan 8.190 nan 0.000 0.476 824 E N 0.728 121.032 120.200 0.173 0.000 2.551 824 E HA 0.390 4.740 4.350 0.000 0.000 0.321 824 E C -0.935 175.714 176.600 0.080 0.000 0.975 824 E CA -0.517 55.973 56.400 0.151 0.000 0.784 824 E CB 1.353 31.157 29.700 0.174 0.000 1.493 824 E HN 0.870 nan 8.360 nan 0.000 0.385 825 I N 0.469 121.083 120.570 0.073 0.000 2.720 825 I HA 0.497 4.667 4.170 0.000 0.000 0.287 825 I C -0.224 175.933 176.117 0.066 0.000 1.090 825 I CA -0.704 60.629 61.300 0.055 0.000 1.384 825 I CB 0.690 38.712 38.000 0.037 0.000 1.420 825 I HN 0.197 nan 8.210 nan 0.000 0.575 826 R N 4.362 124.891 120.500 0.047 0.000 2.460 826 R HA 0.721 5.061 4.340 0.000 0.000 0.303 826 R C -0.948 175.385 176.300 0.056 0.000 0.968 826 R CA -0.925 55.196 56.100 0.034 0.000 0.889 826 R CB 1.804 32.115 30.300 0.019 0.000 1.123 826 R HN 0.888 nan 8.270 nan 0.000 0.455 827 A N 2.947 125.792 122.820 0.042 0.000 2.815 827 A HA 0.338 4.658 4.320 0.000 0.000 0.318 827 A C -0.502 177.064 177.584 -0.029 0.000 1.186 827 A CA -0.687 51.387 52.037 0.061 0.000 0.754 827 A CB 0.598 19.707 19.000 0.183 0.000 1.151 827 A HN 0.348 nan 8.150 nan 0.000 0.452 828 V N 1.646 121.512 119.914 -0.080 0.000 2.479 828 V HA 0.164 4.284 4.120 0.000 0.000 0.281 828 V C 0.071 175.926 176.094 -0.398 0.000 1.031 828 V CA -0.130 61.979 62.300 -0.319 0.000 1.038 828 V CB 0.383 31.886 31.823 -0.534 0.000 0.981 828 V HN 0.596 nan 8.190 nan 0.000 0.478 829 L N 6.748 127.725 121.223 -0.410 0.000 2.449 829 L HA 0.381 4.721 4.340 0.000 0.000 0.255 829 L C -0.228 176.353 176.870 -0.481 0.000 1.167 829 L CA -0.063 54.541 54.840 -0.394 0.000 1.090 829 L CB -0.683 41.311 42.059 -0.108 0.000 1.385 829 L HN 0.514 nan 8.230 nan 0.000 0.411 830 Y N 0.991 120.938 120.300 -0.588 0.000 2.569 830 Y HA 0.108 4.658 4.550 0.000 0.000 0.332 830 Y C 1.025 176.496 175.900 -0.716 0.000 1.120 830 Y CA -0.025 57.650 58.100 -0.708 0.000 1.416 830 Y CB 0.143 38.133 38.460 -0.785 0.000 1.210 830 Y HN 0.450 nan 8.280 nan 0.000 0.528 831 N N 3.261 121.735 118.700 -0.376 0.000 2.621 831 N HA 0.144 4.884 4.740 0.000 0.000 0.237 831 N C -1.119 174.247 175.510 -0.241 0.000 0.997 831 N CA -0.566 52.382 53.050 -0.170 0.000 0.918 831 N CB 0.044 38.524 38.487 -0.013 0.000 1.122 831 N HN 0.506 nan 8.380 nan 0.000 0.510 832 Y N 1.373 121.720 120.300 0.078 0.000 2.537 832 Y HA 0.293 4.844 4.550 0.000 0.000 0.303 832 Y C 0.918 176.860 175.900 0.071 0.000 1.176 832 Y CA -0.624 57.528 58.100 0.086 0.000 1.273 832 Y CB 0.148 38.673 38.460 0.108 0.000 1.110 832 Y HN 0.208 nan 8.280 nan 0.000 0.518 833 R N 1.592 122.173 120.500 0.136 0.000 2.638 833 R HA -0.075 4.266 4.340 0.000 0.000 0.268 833 R C 0.934 177.290 176.300 0.093 0.000 1.006 833 R CA 0.372 56.525 56.100 0.088 0.000 1.088 833 R CB 0.700 31.018 30.300 0.029 0.000 0.950 833 R HN 0.548 nan 8.270 nan 0.000 0.419 834 Q N 2.368 122.218 119.800 0.083 0.000 1.935 834 Q HA -0.249 4.091 4.340 0.000 0.000 0.212 834 Q C 0.717 176.757 176.000 0.067 0.000 1.008 834 Q CA 2.502 58.351 55.803 0.077 0.000 0.868 834 Q CB -0.148 28.629 28.738 0.066 0.000 0.946 834 Q HN 0.743 nan 8.270 nan 0.000 0.418 835 N N -1.661 117.074 118.700 0.058 0.000 2.387 835 N HA 0.111 4.852 4.740 0.000 0.000 0.259 835 N C -1.125 174.415 175.510 0.049 0.000 1.369 835 N CA -0.235 52.844 53.050 0.049 0.000 0.867 835 N CB 0.486 38.999 38.487 0.043 0.000 1.341 835 N HN 0.082 nan 8.380 nan 0.000 0.495 836 Q N 2.027 121.859 119.800 0.054 0.000 2.509 836 Q HA 0.184 4.524 4.340 0.000 0.000 0.236 836 Q C -0.718 175.307 176.000 0.042 0.000 1.073 836 Q CA -0.506 55.336 55.803 0.065 0.000 0.867 836 Q CB 0.502 29.298 28.738 0.096 0.000 1.181 836 Q HN 0.431 nan 8.270 nan 0.000 0.526 837 E N 3.157 123.379 120.200 0.037 0.000 2.392 837 E HA 0.155 4.505 4.350 0.000 0.000 0.264 837 E C -0.804 175.811 176.600 0.026 0.000 1.024 837 E CA -0.232 56.181 56.400 0.022 0.000 0.903 837 E CB 0.783 30.493 29.700 0.016 0.000 0.963 837 E HN 0.495 nan 8.360 nan 0.000 0.432 838 L N 2.772 123.993 121.223 -0.004 0.000 2.264 838 L HA 0.248 4.588 4.340 0.000 0.000 0.289 838 L C 0.117 176.975 176.870 -0.019 0.000 1.044 838 L CA -1.126 53.692 54.840 -0.036 0.000 0.807 838 L CB 0.964 42.923 42.059 -0.168 0.000 1.192 838 L HN 0.570 nan 8.230 nan 0.000 0.425 839 K N 3.790 124.213 120.400 0.037 0.000 2.220 839 K HA 0.317 4.637 4.320 0.000 0.000 0.283 839 K C -0.774 175.894 176.600 0.114 0.000 1.098 839 K CA -0.227 56.113 56.287 0.089 0.000 0.928 839 K CB 0.122 32.712 32.500 0.149 0.000 1.214 839 K HN 0.333 nan 8.250 nan 0.000 0.442 840 V N 3.864 123.807 119.914 0.047 0.000 3.134 840 V HA 0.480 4.600 4.120 0.000 0.000 0.313 840 V C 0.237 176.414 176.094 0.139 0.000 1.069 840 V CA -0.880 61.416 62.300 -0.006 0.000 1.048 840 V CB 1.458 33.276 31.823 -0.007 0.000 1.119 840 V HN 0.746 nan 8.190 nan 0.000 0.461 841 R N 1.296 121.836 120.500 0.067 0.000 2.576 841 R HA 0.540 4.880 4.340 0.000 0.000 0.283 841 R C -1.891 174.458 176.300 0.081 0.000 1.493 841 R CA -0.256 55.906 56.100 0.103 0.000 1.170 841 R CB 1.548 31.841 30.300 -0.012 0.000 1.189 841 R HN 0.564 nan 8.270 nan 0.000 0.542 842 V N 4.024 124.002 119.914 0.108 0.000 2.383 842 V HA 0.317 4.437 4.120 0.000 0.000 0.275 842 V C -0.619 175.553 176.094 0.130 0.000 1.036 842 V CA -0.204 62.181 62.300 0.142 0.000 0.889 842 V CB 1.488 33.425 31.823 0.191 0.000 0.985 842 V HN 0.785 nan 8.190 nan 0.000 0.459 843 E N 6.069 126.322 120.200 0.088 0.000 2.216 843 E HA 0.340 4.690 4.350 0.000 0.000 0.260 843 E C -1.514 175.064 176.600 -0.036 0.000 0.880 843 E CA -0.911 55.513 56.400 0.040 0.000 0.765 843 E CB 1.783 31.505 29.700 0.036 0.000 1.174 843 E HN 0.648 nan 8.360 nan 0.000 0.417 844 L N 5.651 126.819 121.223 -0.093 0.000 2.315 844 L HA 0.209 4.549 4.340 0.000 0.000 0.283 844 L C -1.056 175.789 176.870 -0.042 0.000 1.089 844 L CA -0.217 54.493 54.840 -0.217 0.000 0.833 844 L CB 0.343 42.182 42.059 -0.365 0.000 1.170 844 L HN 0.583 nan 8.230 nan 0.000 0.442 845 L N 4.497 125.693 121.223 -0.045 0.000 2.453 845 L HA 0.265 4.605 4.340 0.000 0.000 0.261 845 L C 0.209 177.115 176.870 0.060 0.000 1.179 845 L CA -0.139 54.716 54.840 0.026 0.000 0.813 845 L CB 0.040 42.109 42.059 0.016 0.000 1.110 845 L HN 0.587 nan 8.230 nan 0.000 0.466 846 H N 1.709 120.791 119.070 0.020 0.000 2.690 846 H HA 0.335 4.891 4.556 0.000 0.000 0.365 846 H C -0.518 174.843 175.328 0.056 0.000 1.142 846 H CA 0.294 56.364 56.048 0.037 0.000 1.417 846 H CB 0.554 30.340 29.762 0.040 0.000 1.446 846 H HN 0.505 nan 8.280 nan 0.000 0.599 847 N N 4.125 122.425 118.700 -0.667 0.000 2.500 847 N HA 0.142 4.882 4.740 0.000 0.000 0.291 847 N C -2.505 172.612 175.510 -0.655 0.000 1.092 847 N CA -1.676 51.115 53.050 -0.431 0.000 0.890 847 N CB 2.218 40.717 38.487 0.021 0.000 1.466 847 N HN 0.481 nan 8.380 nan 0.000 0.507 848 P HA 0.011 nan 4.420 nan 0.000 0.250 848 P C 0.301 177.516 177.300 -0.141 0.000 1.239 848 P CA 0.433 63.464 63.100 -0.115 0.000 0.756 848 P CB 0.082 31.824 31.700 0.070 0.000 1.013 849 A N -1.290 121.369 122.820 -0.269 0.000 2.431 849 A HA 0.375 4.696 4.320 0.000 0.000 0.239 849 A C 0.146 177.111 177.584 -1.030 0.000 1.230 849 A CA -0.092 51.590 52.037 -0.592 0.000 0.928 849 A CB 0.031 18.622 19.000 -0.682 0.000 1.006 849 A HN 0.107 nan 8.150 nan 0.000 0.520 850 F N -0.876 119.007 119.950 -0.111 0.000 2.915 850 F HA 0.247 4.774 4.527 0.000 0.000 0.350 850 F C 0.064 175.824 175.800 -0.067 0.000 1.248 850 F CA -0.879 57.066 58.000 -0.091 0.000 1.084 850 F CB 0.961 39.896 39.000 -0.107 0.000 1.391 850 F HN 0.041 nan 8.300 nan 0.000 0.548 851 C N 4.225 123.586 119.300 0.101 0.000 2.423 851 C HA 0.614 5.074 4.460 0.000 0.000 0.378 851 C C 0.652 175.676 174.990 0.058 0.000 1.068 851 C CA -0.155 58.908 59.018 0.075 0.000 1.371 851 C CB -2.327 25.429 27.740 0.027 0.000 1.856 851 C HN 0.777 nan 8.230 nan 0.000 0.523 852 S N 4.572 120.319 115.700 0.078 0.000 2.801 852 S HA 0.528 4.998 4.470 0.000 0.000 0.312 852 S C 0.661 175.257 174.600 -0.007 0.000 1.112 852 S CA -0.888 57.324 58.200 0.020 0.000 0.943 852 S CB 0.792 64.002 63.200 0.016 0.000 1.269 852 S HN 0.609 nan 8.310 nan 0.000 0.558 853 L N 0.282 121.447 121.223 -0.097 0.000 2.551 853 L HA 0.182 4.522 4.340 0.000 0.000 0.228 853 L C 1.015 177.882 176.870 -0.006 0.000 1.153 853 L CA 0.496 55.261 54.840 -0.125 0.000 0.851 853 L CB -0.640 41.188 42.059 -0.385 0.000 0.959 853 L HN 0.774 nan 8.230 nan 0.000 0.451 854 A N 0.111 122.965 122.820 0.058 0.000 2.256 854 A HA 0.526 4.846 4.320 0.000 0.000 0.317 854 A C 0.400 178.075 177.584 0.151 0.000 1.318 854 A CA -0.462 51.653 52.037 0.129 0.000 0.894 854 A CB 0.255 19.352 19.000 0.162 0.000 1.165 854 A HN 0.221 nan 8.150 nan 0.000 0.525 855 T N -0.975 113.582 114.554 0.005 0.000 2.892 855 T HA 0.446 4.797 4.350 0.000 0.000 0.280 855 T C 1.496 175.990 174.700 -0.343 0.000 1.004 855 T CA 0.330 62.285 62.100 -0.242 0.000 0.950 855 T CB 0.275 69.039 68.868 -0.173 0.000 1.309 855 T HN 0.803 nan 8.240 nan 0.000 0.592 856 T N -1.789 112.490 114.554 -0.459 0.000 2.962 856 T HA 0.035 4.385 4.350 0.000 0.000 0.270 856 T C 1.444 176.091 174.700 -0.089 0.000 1.088 856 T CA 0.739 62.675 62.100 -0.274 0.000 1.127 856 T CB -0.317 68.428 68.868 -0.205 0.000 0.883 856 T HN 0.611 nan 8.240 nan 0.000 0.493 857 K N -0.278 120.082 120.400 -0.067 0.000 2.399 857 K HA 0.269 4.590 4.320 0.000 0.000 0.196 857 K C 1.119 177.722 176.600 0.004 0.000 1.103 857 K CA -0.306 55.971 56.287 -0.016 0.000 0.986 857 K CB 0.634 33.129 32.500 -0.008 0.000 0.952 857 K HN 0.180 nan 8.250 nan 0.000 0.541 858 R N 1.648 122.147 120.500 -0.001 0.000 2.404 858 R HA 0.246 4.586 4.340 0.000 0.000 0.291 858 R C -0.783 175.553 176.300 0.060 0.000 1.025 858 R CA -0.304 55.815 56.100 0.032 0.000 0.991 858 R CB 0.825 31.144 30.300 0.032 0.000 1.053 858 R HN -0.046 nan 8.270 nan 0.000 0.479 859 R N 1.853 122.401 120.500 0.081 0.000 2.589 859 R HA 0.182 4.523 4.340 0.000 0.000 0.293 859 R C -0.475 175.919 176.300 0.156 0.000 0.963 859 R CA -0.706 55.456 56.100 0.104 0.000 0.905 859 R CB 1.619 31.965 30.300 0.077 0.000 1.144 859 R HN 0.585 nan 8.270 nan 0.000 0.459 860 H N 4.309 123.423 119.070 0.073 0.000 2.556 860 H HA 0.111 4.667 4.556 0.000 0.000 0.240 860 H C -0.952 174.455 175.328 0.131 0.000 1.543 860 H CA -0.366 55.743 56.048 0.102 0.000 1.287 860 H CB 0.581 30.411 29.762 0.113 0.000 1.529 860 H HN 0.623 nan 8.280 nan 0.000 0.553 861 Q N 2.690 122.436 119.800 -0.090 0.000 2.297 861 Q HA 0.495 4.835 4.340 0.000 0.000 0.268 861 Q C -1.109 174.837 176.000 -0.090 0.000 1.045 861 Q CA -1.121 54.640 55.803 -0.071 0.000 0.861 861 Q CB 2.539 31.292 28.738 0.026 0.000 1.344 861 Q HN 0.413 nan 8.270 nan 0.000 0.452 862 Q N -0.121 119.651 119.800 -0.048 0.000 2.892 862 Q HA 0.595 4.935 4.340 0.000 0.000 0.307 862 Q C -1.224 174.788 176.000 0.021 0.000 1.039 862 Q CA -0.754 55.027 55.803 -0.037 0.000 0.792 862 Q CB 2.641 31.302 28.738 -0.127 0.000 1.504 862 Q HN 0.700 nan 8.270 nan 0.000 0.487 863 T N 0.871 115.404 114.554 -0.036 0.000 3.133 863 T HA 0.463 4.813 4.350 0.000 0.000 0.368 863 T C -0.799 173.822 174.700 -0.131 0.000 1.190 863 T CA -0.518 61.590 62.100 0.014 0.000 1.282 863 T CB 0.114 69.064 68.868 0.136 0.000 1.042 863 T HN 0.431 nan 8.240 nan 0.000 0.536 864 V N 0.466 120.328 119.914 -0.087 0.000 2.973 864 V HA 0.835 4.955 4.120 0.000 0.000 0.314 864 V C 0.164 176.243 176.094 -0.025 0.000 1.066 864 V CA -0.667 61.571 62.300 -0.103 0.000 1.021 864 V CB 1.707 33.477 31.823 -0.089 0.000 1.076 864 V HN 0.569 nan 8.190 nan 0.000 0.462 865 T N 3.325 117.869 114.554 -0.017 0.000 3.150 865 T HA 0.506 4.857 4.350 0.000 0.000 0.383 865 T C -0.179 174.519 174.700 -0.002 0.000 1.313 865 T CA -0.084 62.020 62.100 0.008 0.000 1.235 865 T CB -0.229 68.657 68.868 0.030 0.000 1.088 865 T HN 0.572 nan 8.240 nan 0.000 0.556 866 I N 4.500 125.066 120.570 -0.006 0.000 2.406 866 I HA 0.222 4.392 4.170 0.000 0.000 0.293 866 I C -2.032 174.078 176.117 -0.011 0.000 1.101 866 I CA -2.179 59.112 61.300 -0.016 0.000 1.334 866 I CB 0.120 38.110 38.000 -0.017 0.000 1.421 866 I HN 0.183 nan 8.210 nan 0.000 0.513 867 P HA 0.005 nan 4.420 nan 0.000 0.271 867 P C -2.446 174.855 177.300 0.001 0.000 1.228 867 P CA -0.646 62.452 63.100 -0.004 0.000 0.797 867 P CB -0.368 31.326 31.700 -0.010 0.000 0.914 868 P HA 0.110 nan 4.420 nan 0.000 0.276 868 P C -0.519 176.804 177.300 0.039 0.000 1.230 868 P CA 0.142 63.258 63.100 0.026 0.000 0.776 868 P CB 0.137 31.858 31.700 0.036 0.000 0.888 869 K N -1.074 119.351 120.400 0.043 0.000 3.117 869 K HA -0.119 4.202 4.320 0.000 0.000 0.269 869 K C 0.067 176.696 176.600 0.049 0.000 1.098 869 K CA 0.688 57.024 56.287 0.082 0.000 0.785 869 K CB -1.837 30.744 32.500 0.136 0.000 1.242 869 K HN 0.549 nan 8.250 nan 0.000 0.491 870 S N -0.161 115.514 115.700 -0.041 0.000 2.632 870 S HA 0.697 5.168 4.470 0.000 0.000 0.289 870 S C -0.691 173.847 174.600 -0.103 0.000 1.115 870 S CA -0.147 58.046 58.200 -0.012 0.000 0.889 870 S CB 1.819 65.030 63.200 0.019 0.000 1.116 870 S HN 0.290 nan 8.310 nan 0.000 0.486 871 S N 2.608 118.273 115.700 -0.060 0.000 2.433 871 S HA 0.689 5.159 4.470 0.000 0.000 0.310 871 S C -0.846 173.637 174.600 -0.194 0.000 1.097 871 S CA -0.740 57.325 58.200 -0.225 0.000 1.103 871 S CB 0.862 63.976 63.200 -0.142 0.000 0.992 871 S HN 0.831 nan 8.310 nan 0.000 0.469 872 L N 2.381 123.446 121.223 -0.263 0.000 2.341 872 L HA 0.779 5.120 4.340 0.000 0.000 0.278 872 L C -0.147 176.603 176.870 -0.199 0.000 1.005 872 L CA -0.107 54.630 54.840 -0.170 0.000 0.818 872 L CB 2.033 44.024 42.059 -0.113 0.000 1.259 872 L HN 0.785 nan 8.230 nan 0.000 0.418 873 S N 3.305 118.917 115.700 -0.145 0.000 2.687 873 S HA 0.878 5.349 4.470 0.000 0.000 0.283 873 S C -1.023 173.492 174.600 -0.143 0.000 1.170 873 S CA -0.464 57.653 58.200 -0.139 0.000 1.008 873 S CB 1.280 64.419 63.200 -0.103 0.000 1.026 873 S HN 0.583 nan 8.310 nan 0.000 0.541 874 V N 4.480 124.289 119.914 -0.175 0.000 2.637 874 V HA 0.331 4.452 4.120 0.000 0.000 0.274 874 V C -2.655 173.178 176.094 -0.436 0.000 1.004 874 V CA -1.300 60.823 62.300 -0.295 0.000 0.894 874 V CB 1.334 32.967 31.823 -0.317 0.000 1.046 874 V HN 0.738 nan 8.190 nan 0.000 0.467 875 P HA 0.282 nan 4.420 nan 0.000 0.268 875 P C -1.317 175.800 177.300 -0.305 0.000 1.204 875 P CA 0.199 63.168 63.100 -0.218 0.000 0.768 875 P CB 0.194 31.837 31.700 -0.096 0.000 0.842 876 Y N 1.186 121.522 120.300 0.060 0.000 2.322 876 Y HA 0.286 4.836 4.550 0.000 0.000 0.324 876 Y C 0.109 176.017 175.900 0.013 0.000 1.027 876 Y CA -1.157 56.977 58.100 0.058 0.000 1.179 876 Y CB 1.240 39.727 38.460 0.045 0.000 1.136 876 Y HN 0.121 nan 8.280 nan 0.000 0.449 877 V N 3.932 123.926 119.914 0.133 0.000 2.607 877 V HA 0.798 4.919 4.120 0.000 0.000 0.289 877 V C 0.023 176.116 176.094 -0.002 0.000 1.053 877 V CA -0.600 61.728 62.300 0.047 0.000 0.996 877 V CB 1.030 32.847 31.823 -0.010 0.000 0.995 877 V HN 0.700 nan 8.190 nan 0.000 0.476 878 I N 1.211 121.775 120.570 -0.009 0.000 3.279 878 I HA 0.858 5.028 4.170 0.000 0.000 0.315 878 I C -1.246 174.892 176.117 0.035 0.000 1.225 878 I CA -1.232 60.079 61.300 0.017 0.000 0.947 878 I CB 2.533 40.542 38.000 0.015 0.000 1.293 878 I HN 0.369 nan 8.210 nan 0.000 0.468 879 V N 1.878 121.852 119.914 0.099 0.000 2.538 879 V HA 0.328 4.448 4.120 0.000 0.000 0.265 879 V C -2.539 173.615 176.094 0.100 0.000 0.977 879 V CA -1.132 61.209 62.300 0.069 0.000 0.852 879 V CB 1.008 32.831 31.823 0.001 0.000 1.058 879 V HN 0.594 nan 8.190 nan 0.000 0.462 880 P HA 0.089 nan 4.420 nan 0.000 0.254 880 P C 0.901 178.114 177.300 -0.145 0.000 1.186 880 P CA 0.600 63.690 63.100 -0.016 0.000 0.868 880 P CB 0.360 32.143 31.700 0.139 0.000 0.856 881 L N 2.931 124.015 121.223 -0.231 0.000 2.558 881 L HA 0.070 4.410 4.340 0.000 0.000 0.225 881 L C 1.194 177.962 176.870 -0.170 0.000 1.128 881 L CA 0.650 55.410 54.840 -0.133 0.000 0.868 881 L CB -0.456 41.571 42.059 -0.053 0.000 1.006 881 L HN 0.348 nan 8.230 nan 0.000 0.454 882 K N -0.260 119.977 120.400 -0.271 0.000 2.422 882 K HA 0.454 4.774 4.320 0.000 0.000 0.251 882 K C -0.143 176.336 176.600 -0.201 0.000 0.933 882 K CA -0.693 55.458 56.287 -0.227 0.000 0.798 882 K CB 1.781 34.142 32.500 -0.233 0.000 1.238 882 K HN -0.116 nan 8.250 nan 0.000 0.428 883 T N -0.758 113.713 114.554 -0.138 0.000 2.732 883 T HA 0.593 4.944 4.350 0.000 0.000 0.287 883 T C 0.745 175.389 174.700 -0.093 0.000 0.993 883 T CA 0.297 62.336 62.100 -0.102 0.000 0.966 883 T CB 0.428 69.246 68.868 -0.084 0.000 1.047 883 T HN 1.326 nan 8.240 nan 0.000 0.527 884 G N -0.330 108.429 108.800 -0.068 0.000 2.758 884 G HA2 -0.003 3.957 3.960 0.000 0.000 0.686 884 G HA3 -0.003 3.957 3.960 0.000 0.000 0.686 884 G C -0.643 174.229 174.900 -0.046 0.000 1.389 884 G CA -0.531 44.535 45.100 -0.055 0.000 0.845 884 G HN 1.092 nan 8.290 nan 0.000 0.572 885 L N 1.602 122.803 121.223 -0.037 0.000 2.742 885 L HA 0.180 4.520 4.340 0.000 0.000 0.275 885 L C 1.241 178.111 176.870 -0.000 0.000 1.141 885 L CA 0.658 55.482 54.840 -0.027 0.000 0.987 885 L CB 0.093 42.137 42.059 -0.026 0.000 1.319 885 L HN 0.638 nan 8.230 nan 0.000 0.478 886 Q N 2.897 122.727 119.800 0.051 0.000 2.173 886 Q HA 0.425 4.766 4.340 0.000 0.000 0.186 886 Q C -0.359 175.733 176.000 0.153 0.000 1.018 886 Q CA -0.409 55.486 55.803 0.153 0.000 1.064 886 Q CB 0.879 29.850 28.738 0.389 0.000 1.130 886 Q HN 0.603 nan 8.270 nan 0.000 0.553 887 E N -0.178 120.177 120.200 0.257 0.000 2.263 887 E HA 0.523 4.873 4.350 0.000 0.000 0.268 887 E C -1.748 174.826 176.600 -0.043 0.000 0.884 887 E CA -0.399 56.044 56.400 0.070 0.000 0.766 887 E CB 1.597 31.326 29.700 0.049 0.000 1.196 887 E HN 0.206 nan 8.360 nan 0.000 0.416 888 V N 3.861 123.682 119.914 -0.155 0.000 2.656 888 V HA 0.499 4.619 4.120 0.000 0.000 0.307 888 V C -0.846 175.162 176.094 -0.144 0.000 1.051 888 V CA -0.625 61.536 62.300 -0.232 0.000 0.893 888 V CB 1.891 33.514 31.823 -0.333 0.000 0.999 888 V HN 0.787 nan 8.190 nan 0.000 0.426 889 E N 3.441 123.559 120.200 -0.136 0.000 2.448 889 E HA 0.471 4.822 4.350 0.000 0.000 0.288 889 E C -1.580 174.964 176.600 -0.094 0.000 0.936 889 E CA -0.482 55.867 56.400 -0.085 0.000 0.809 889 E CB 1.972 31.642 29.700 -0.050 0.000 1.408 889 E HN 0.620 nan 8.360 nan 0.000 0.393 890 V N 1.642 121.511 119.914 -0.075 0.000 2.370 890 V HA 0.640 4.760 4.120 0.000 0.000 0.283 890 V C -0.607 175.492 176.094 0.009 0.000 1.023 890 V CA -0.682 61.582 62.300 -0.059 0.000 0.857 890 V CB 1.138 32.936 31.823 -0.042 0.000 0.985 890 V HN 0.491 nan 8.190 nan 0.000 0.443 891 K N 4.103 124.518 120.400 0.026 0.000 2.292 891 K HA 0.870 5.190 4.320 0.000 0.000 0.257 891 K C -0.567 176.094 176.600 0.101 0.000 0.940 891 K CA -0.486 55.840 56.287 0.064 0.000 0.811 891 K CB 2.442 34.972 32.500 0.051 0.000 1.120 891 K HN 0.997 nan 8.250 nan 0.000 0.428 892 A N 1.695 124.618 122.820 0.173 0.000 2.371 892 A HA 0.836 5.156 4.320 0.000 0.000 0.311 892 A C -1.333 176.401 177.584 0.251 0.000 1.068 892 A CA -0.727 51.457 52.037 0.245 0.000 0.744 892 A CB 1.648 20.894 19.000 0.411 0.000 1.239 892 A HN 0.722 nan 8.150 nan 0.000 0.435 893 A N 1.545 124.390 122.820 0.042 0.000 2.398 893 A HA 0.676 4.996 4.320 0.000 0.000 0.301 893 A C -0.120 177.285 177.584 -0.297 0.000 1.041 893 A CA -0.315 51.661 52.037 -0.102 0.000 0.711 893 A CB 0.878 19.818 19.000 -0.100 0.000 1.240 893 A HN 2.059 nan 8.150 nan 0.000 0.420 894 V N 0.233 119.933 119.914 -0.356 0.000 2.775 894 V HA 0.466 4.586 4.120 0.000 0.000 0.299 894 V C -0.345 175.569 176.094 -0.300 0.000 1.062 894 V CA -0.523 61.588 62.300 -0.316 0.000 1.063 894 V CB -0.194 31.447 31.823 -0.304 0.000 0.994 894 V HN 0.640 nan 8.190 nan 0.000 0.483 895 Y N 3.918 124.123 120.300 -0.159 0.000 2.309 895 Y HA 0.389 4.939 4.550 0.000 0.000 0.327 895 Y C 1.430 177.226 175.900 -0.173 0.000 1.172 895 Y CA 0.981 58.936 58.100 -0.241 0.000 1.280 895 Y CB 0.330 38.663 38.460 -0.212 0.000 1.234 895 Y HN 0.891 nan 8.280 nan 0.000 0.512 896 H N -1.013 117.992 119.070 -0.108 0.000 4.829 896 H HA -0.282 4.274 4.556 0.000 0.000 0.080 896 H C -0.106 175.061 175.328 -0.268 0.000 0.582 896 H CA 1.590 57.531 56.048 -0.179 0.000 1.075 896 H CB -1.068 28.625 29.762 -0.115 0.000 0.466 896 H HN 0.774 nan 8.280 nan 0.000 0.746 897 H N -0.490 118.547 119.070 -0.055 0.000 2.481 897 H HA 0.273 4.829 4.556 0.000 0.000 0.339 897 H C 0.184 175.406 175.328 -0.177 0.000 1.131 897 H CA -0.248 55.770 56.048 -0.050 0.000 1.301 897 H CB 0.471 30.223 29.762 -0.016 0.000 1.476 897 H HN 0.028 nan 8.280 nan 0.000 0.529 898 F N 2.791 122.832 119.950 0.152 0.000 2.974 898 F HA 0.232 4.759 4.527 0.000 0.000 0.292 898 F C -0.210 175.625 175.800 0.059 0.000 1.209 898 F CA -0.111 57.928 58.000 0.066 0.000 1.366 898 F CB -0.094 38.941 39.000 0.058 0.000 1.033 898 F HN 0.258 nan 8.300 nan 0.000 0.516 899 I N 0.545 121.202 120.570 0.144 0.000 2.488 899 I HA 0.447 4.618 4.170 0.000 0.000 0.299 899 I C 0.016 176.220 176.117 0.145 0.000 0.984 899 I CA -0.575 60.810 61.300 0.141 0.000 1.250 899 I CB 1.645 39.706 38.000 0.102 0.000 1.389 899 I HN 0.105 nan 8.210 nan 0.000 0.488 900 S N 2.707 118.540 115.700 0.221 0.000 2.563 900 S HA 0.559 5.030 4.470 0.000 0.000 0.279 900 S C -1.453 173.280 174.600 0.222 0.000 1.155 900 S CA -0.874 57.461 58.200 0.226 0.000 0.928 900 S CB 2.259 65.546 63.200 0.145 0.000 1.107 900 S HN 0.672 nan 8.310 nan 0.000 0.462 901 D N 0.496 121.031 120.400 0.224 0.000 2.614 901 D HA 0.568 5.208 4.640 0.000 0.000 0.203 901 D C 0.019 176.388 176.300 0.115 0.000 1.312 901 D CA 0.218 54.312 54.000 0.158 0.000 0.889 901 D CB 1.442 42.347 40.800 0.175 0.000 1.615 901 D HN 0.868 nan 8.370 nan 0.000 0.567 902 G N 0.480 109.333 108.800 0.087 0.000 2.552 902 G HA2 0.650 4.611 3.960 0.000 0.000 0.318 902 G HA3 0.650 4.611 3.960 0.000 0.000 0.318 902 G C -1.000 173.933 174.900 0.056 0.000 1.240 902 G CA -0.632 44.505 45.100 0.063 0.000 1.002 902 G HN 0.403 nan 8.290 nan 0.000 0.493 903 V N 0.390 120.328 119.914 0.040 0.000 2.501 903 V HA 0.342 4.462 4.120 0.000 0.000 0.277 903 V C 0.004 176.106 176.094 0.014 0.000 1.004 903 V CA -0.653 61.672 62.300 0.042 0.000 0.862 903 V CB 1.292 33.153 31.823 0.063 0.000 1.035 903 V HN 0.745 nan 8.190 nan 0.000 0.448 904 R N 4.330 124.838 120.500 0.012 0.000 2.608 904 R HA 0.331 4.672 4.340 0.000 0.000 0.277 904 R C -0.087 176.201 176.300 -0.020 0.000 1.341 904 R CA -0.173 55.920 56.100 -0.012 0.000 1.199 904 R CB 0.157 30.455 30.300 -0.003 0.000 1.156 904 R HN 0.559 nan 8.270 nan 0.000 0.558 905 K N 1.529 121.892 120.400 -0.062 0.000 2.156 905 K HA 0.291 4.611 4.320 0.000 0.000 0.271 905 K C -0.583 175.911 176.600 -0.177 0.000 0.995 905 K CA -0.562 55.645 56.287 -0.133 0.000 0.890 905 K CB 2.066 34.440 32.500 -0.210 0.000 1.073 905 K HN 0.294 nan 8.250 nan 0.000 0.454 906 S N 2.834 118.420 115.700 -0.190 0.000 2.454 906 S HA 0.443 4.913 4.470 0.000 0.000 0.306 906 S C -0.388 174.094 174.600 -0.198 0.000 1.100 906 S CA -1.000 57.113 58.200 -0.144 0.000 1.087 906 S CB 0.767 63.926 63.200 -0.068 0.000 1.019 906 S HN 0.549 nan 8.310 nan 0.000 0.480 907 L N 0.555 121.688 121.223 -0.151 0.000 2.346 907 L HA 0.668 5.008 4.340 0.000 0.000 0.274 907 L C -0.758 176.046 176.870 -0.110 0.000 1.007 907 L CA -0.896 53.842 54.840 -0.170 0.000 0.818 907 L CB 1.207 43.167 42.059 -0.164 0.000 1.284 907 L HN 0.414 nan 8.230 nan 0.000 0.424 908 K N 3.463 123.749 120.400 -0.190 0.000 2.111 908 K HA 0.242 4.562 4.320 0.000 0.000 0.249 908 K C -0.575 175.964 176.600 -0.102 0.000 1.157 908 K CA -0.428 55.761 56.287 -0.165 0.000 1.048 908 K CB 0.672 33.001 32.500 -0.286 0.000 1.498 908 K HN 0.496 nan 8.250 nan 0.000 0.344 909 V N 4.344 124.237 119.914 -0.035 0.000 2.415 909 V HA -0.041 4.079 4.120 0.000 0.000 0.252 909 V C 0.401 176.466 176.094 -0.048 0.000 1.043 909 V CA -0.075 62.217 62.300 -0.014 0.000 1.149 909 V CB -0.561 31.266 31.823 0.007 0.000 1.143 909 V HN 0.309 nan 8.190 nan 0.000 0.478 910 V N 7.169 127.051 119.914 -0.053 0.000 2.644 910 V HA 0.321 4.441 4.120 0.000 0.000 0.295 910 V C -2.120 173.922 176.094 -0.086 0.000 1.053 910 V CA -2.217 60.038 62.300 -0.075 0.000 0.987 910 V CB 1.447 33.225 31.823 -0.074 0.000 1.006 910 V HN 0.599 nan 8.190 nan 0.000 0.472 911 P HA 0.135 nan 4.420 nan 0.000 0.271 911 P C -0.125 177.100 177.300 -0.125 0.000 1.226 911 P CA -0.307 62.729 63.100 -0.107 0.000 0.765 911 P CB 0.195 31.830 31.700 -0.109 0.000 0.835 912 E N 1.970 122.125 120.200 -0.074 0.000 2.604 912 E HA 0.274 4.625 4.350 0.000 0.000 0.267 912 E C 0.507 177.064 176.600 -0.071 0.000 0.970 912 E CA -0.076 56.291 56.400 -0.056 0.000 0.956 912 E CB -0.043 29.644 29.700 -0.022 0.000 0.939 912 E HN 0.552 nan 8.360 nan 0.000 0.465 913 G N 1.523 110.292 108.800 -0.052 0.000 2.451 913 G HA2 0.428 4.388 3.960 0.000 0.000 0.292 913 G HA3 0.428 4.388 3.960 0.000 0.000 0.292 913 G C -1.693 173.242 174.900 0.059 0.000 1.427 913 G CA -0.937 44.157 45.100 -0.010 0.000 0.792 913 G HN 0.588 nan 8.290 nan 0.000 0.498 914 I N 0.794 121.426 120.570 0.103 0.000 2.439 914 I HA 0.470 4.640 4.170 0.000 0.000 0.283 914 I C -0.181 175.923 176.117 -0.022 0.000 1.023 914 I CA -1.058 60.269 61.300 0.046 0.000 1.100 914 I CB 1.126 39.135 38.000 0.014 0.000 1.238 914 I HN 0.320 nan 8.210 nan 0.000 0.445 915 R N 7.920 128.406 120.500 -0.024 0.000 2.507 915 R HA 0.215 4.555 4.340 0.000 0.000 0.341 915 R C -0.849 175.324 176.300 -0.212 0.000 0.960 915 R CA 0.607 56.616 56.100 -0.151 0.000 1.032 915 R CB -0.072 30.181 30.300 -0.078 0.000 0.933 915 R HN 0.673 nan 8.270 nan 0.000 0.418 916 M N 2.614 121.976 119.600 -0.396 0.000 2.518 916 M HA 0.247 4.728 4.480 0.000 0.000 0.300 916 M C -0.407 175.732 176.300 -0.269 0.000 1.175 916 M CA -0.866 54.233 55.300 -0.335 0.000 0.890 916 M CB 2.369 34.748 32.600 -0.368 0.000 1.710 916 M HN 0.373 nan 8.290 nan 0.000 0.453 917 N N 1.174 119.832 118.700 -0.069 0.000 2.733 917 N HA 0.250 4.990 4.740 0.000 0.000 0.271 917 N C -1.500 174.053 175.510 0.073 0.000 1.720 917 N CA -0.731 52.331 53.050 0.020 0.000 0.803 917 N CB 0.186 38.666 38.487 -0.012 0.000 1.208 917 N HN 0.448 nan 8.380 nan 0.000 0.498 918 K N 0.341 120.834 120.400 0.155 0.000 2.527 918 K HA 0.069 4.389 4.320 0.000 0.000 0.278 918 K C -0.048 176.597 176.600 0.075 0.000 0.981 918 K CA 0.473 56.831 56.287 0.118 0.000 1.009 918 K CB 0.283 32.870 32.500 0.144 0.000 0.895 918 K HN 0.279 nan 8.250 nan 0.000 0.493 919 T N 1.970 116.553 114.554 0.049 0.000 2.832 919 T HA 0.066 4.416 4.350 0.000 0.000 0.296 919 T C 1.480 176.198 174.700 0.030 0.000 0.968 919 T CA -0.634 61.487 62.100 0.035 0.000 1.107 919 T CB 1.179 70.062 68.868 0.025 0.000 0.916 919 T HN 0.285 nan 8.240 nan 0.000 0.517 920 V N 1.877 121.810 119.914 0.032 0.000 2.535 920 V HA 0.375 4.495 4.120 0.000 0.000 0.246 920 V C 0.971 177.072 176.094 0.012 0.000 1.045 920 V CA 1.209 63.524 62.300 0.026 0.000 1.058 920 V CB -0.434 31.416 31.823 0.045 0.000 0.689 920 V HN 1.074 nan 8.190 nan 0.000 0.461 921 A N -0.434 122.394 122.820 0.014 0.000 2.583 921 A HA 0.607 4.927 4.320 0.000 0.000 0.298 921 A C -1.253 176.335 177.584 0.007 0.000 1.055 921 A CA -0.087 51.951 52.037 0.002 0.000 0.714 921 A CB 1.499 20.491 19.000 -0.014 0.000 1.277 921 A HN 0.689 nan 8.150 nan 0.000 0.406 922 V N 0.086 120.002 119.914 0.003 0.000 2.340 922 V HA 0.802 4.922 4.120 0.000 0.000 0.277 922 V C -0.232 175.863 176.094 0.002 0.000 1.017 922 V CA -0.637 61.666 62.300 0.005 0.000 0.820 922 V CB 0.254 32.081 31.823 0.006 0.000 1.028 922 V HN 0.953 nan 8.190 nan 0.000 0.436 923 R N 1.910 122.411 120.500 0.001 0.000 3.076 923 R HA 0.865 5.205 4.340 0.000 0.000 0.239 923 R C -0.739 175.562 176.300 0.002 0.000 1.392 923 R CA -0.861 55.238 56.100 -0.001 0.000 1.044 923 R CB 2.023 32.319 30.300 -0.008 0.000 1.389 923 R HN 0.587 nan 8.270 nan 0.000 0.498 924 T N 1.057 115.613 114.554 0.003 0.000 2.893 924 T HA 0.520 4.870 4.350 0.000 0.000 0.291 924 T C -0.809 173.894 174.700 0.006 0.000 1.028 924 T CA -0.648 61.456 62.100 0.006 0.000 0.995 924 T CB 1.387 70.261 68.868 0.009 0.000 1.051 924 T HN 0.168 nan 8.240 nan 0.000 0.470 925 L N 2.162 123.390 121.223 0.008 0.000 2.362 925 L HA 0.714 5.054 4.340 0.000 0.000 0.271 925 L C -0.990 175.887 176.870 0.012 0.000 1.002 925 L CA -0.603 54.242 54.840 0.008 0.000 0.818 925 L CB 1.784 43.848 42.059 0.008 0.000 1.298 925 L HN 0.654 nan 8.230 nan 0.000 0.420 926 D N 2.557 122.963 120.400 0.011 0.000 2.676 926 D HA 0.078 4.718 4.640 0.000 0.000 0.170 926 D C -2.313 173.995 176.300 0.012 0.000 1.202 926 D CA -0.511 53.498 54.000 0.014 0.000 1.364 926 D CB 1.197 42.009 40.800 0.020 0.000 1.411 926 D HN 0.033 nan 8.370 nan 0.000 0.664 927 P HA -0.074 nan 4.420 nan 0.000 0.231 927 P C 1.051 178.357 177.300 0.011 0.000 1.158 927 P CA 0.727 63.833 63.100 0.008 0.000 0.763 927 P CB 0.540 32.244 31.700 0.007 0.000 0.805 928 E N 0.210 120.418 120.200 0.013 0.000 2.033 928 E HA -0.160 4.191 4.350 0.000 0.000 0.189 928 E C 2.153 178.764 176.600 0.018 0.000 0.979 928 E CA 1.181 57.591 56.400 0.017 0.000 0.802 928 E CB -0.272 29.440 29.700 0.020 0.000 0.763 928 E HN -0.097 nan 8.360 nan 0.000 0.449 929 R N -0.422 120.089 120.500 0.020 0.000 2.175 929 R HA 0.301 4.641 4.340 0.000 0.000 0.202 929 R C 0.081 176.390 176.300 0.015 0.000 1.018 929 R CA 0.375 56.487 56.100 0.020 0.000 1.029 929 R CB 0.093 30.407 30.300 0.025 0.000 0.959 929 R HN 0.147 nan 8.270 nan 0.000 0.480 930 L N -0.102 121.129 121.223 0.012 0.000 2.343 930 L HA 0.397 4.737 4.340 0.000 0.000 0.275 930 L C 1.060 177.933 176.870 0.006 0.000 1.056 930 L CA -0.030 54.815 54.840 0.008 0.000 0.804 930 L CB 1.632 43.695 42.059 0.006 0.000 1.203 930 L HN 0.571 nan 8.230 nan 0.000 0.440 931 G N 2.121 110.922 108.800 0.003 0.000 2.435 931 G HA2 -0.436 3.524 3.960 0.000 0.000 0.245 931 G HA3 -0.436 3.524 3.960 0.000 0.000 0.245 931 G C 0.937 175.839 174.900 0.004 0.000 1.073 931 G CA 1.091 46.192 45.100 0.002 0.000 0.638 931 G HN 1.006 nan 8.290 nan 0.000 0.521 932 R N 0.086 120.590 120.500 0.006 0.000 4.016 932 R HA -0.216 4.124 4.340 0.000 0.000 0.385 932 R C -0.167 176.138 176.300 0.007 0.000 1.158 932 R CA 2.344 58.449 56.100 0.008 0.000 1.117 932 R CB -2.263 28.042 30.300 0.007 0.000 1.635 932 R HN 0.638 nan 8.270 nan 0.000 0.560 933 E N -0.675 119.529 120.200 0.006 0.000 2.392 933 E HA 0.612 4.962 4.350 0.000 0.000 0.269 933 E C 0.097 176.701 176.600 0.006 0.000 0.924 933 E CA -0.747 55.657 56.400 0.006 0.000 0.784 933 E CB 1.614 31.317 29.700 0.004 0.000 1.292 933 E HN 0.319 nan 8.360 nan 0.000 0.447 934 G N -0.223 108.581 108.800 0.006 0.000 2.606 934 G HA2 0.354 4.314 3.960 0.000 0.000 0.252 934 G HA3 0.354 4.314 3.960 0.000 0.000 0.252 934 G C 0.600 175.504 174.900 0.006 0.000 1.206 934 G CA 0.084 45.188 45.100 0.007 0.000 0.861 934 G HN 1.155 nan 8.290 nan 0.000 0.561 935 V N -2.047 117.871 119.914 0.006 0.000 5.658 935 V HA -0.227 3.893 4.120 0.000 0.000 0.312 935 V C 0.394 176.491 176.094 0.005 0.000 0.480 935 V CA 1.554 63.858 62.300 0.007 0.000 0.684 935 V CB -2.517 29.311 31.823 0.008 0.000 0.426 935 V HN 1.276 nan 8.190 nan 0.000 1.241 936 Q N 1.182 120.984 119.800 0.004 0.000 2.339 936 Q HA 0.224 4.564 4.340 0.000 0.000 0.308 936 Q C 0.511 176.511 176.000 0.000 0.000 1.097 936 Q CA 0.770 56.574 55.803 0.002 0.000 1.007 936 Q CB 0.516 29.256 28.738 0.002 0.000 1.051 936 Q HN 0.965 nan 8.270 nan 0.000 0.381 937 K N 2.696 123.093 120.400 -0.005 0.000 2.095 937 K HA 0.544 4.865 4.320 0.000 0.000 0.252 937 K C -1.067 175.518 176.600 -0.025 0.000 0.977 937 K CA -0.764 55.516 56.287 -0.011 0.000 0.900 937 K CB 1.422 33.914 32.500 -0.012 0.000 1.060 937 K HN 0.427 nan 8.250 nan 0.000 0.449 938 E N 0.916 121.092 120.200 -0.041 0.000 2.409 938 E HA 0.242 4.592 4.350 0.000 0.000 0.259 938 E C -1.503 175.015 176.600 -0.136 0.000 0.932 938 E CA -0.397 55.961 56.400 -0.070 0.000 0.809 938 E CB 0.675 30.343 29.700 -0.054 0.000 1.341 938 E HN 0.565 nan 8.360 nan 0.000 0.405 939 D N 3.055 123.373 120.400 -0.137 0.000 2.372 939 D HA 0.290 4.931 4.640 0.000 0.000 0.243 939 D C 0.053 176.191 176.300 -0.269 0.000 1.121 939 D CA 0.285 54.170 54.000 -0.191 0.000 0.898 939 D CB 0.825 41.553 40.800 -0.121 0.000 1.202 939 D HN 0.389 nan 8.370 nan 0.000 0.428 940 I N 2.474 122.794 120.570 -0.417 0.000 2.500 940 I HA 0.218 4.388 4.170 0.000 0.000 0.286 940 I C -2.482 173.458 176.117 -0.295 0.000 1.063 940 I CA -2.007 59.016 61.300 -0.460 0.000 1.062 940 I CB 2.180 39.631 38.000 -0.915 0.000 1.223 940 I HN -0.065 nan 8.210 nan 0.000 0.435 941 P HA 0.313 nan 4.420 nan 0.000 0.275 941 P C -2.489 174.798 177.300 -0.023 0.000 1.227 941 P CA -1.153 61.903 63.100 -0.073 0.000 0.781 941 P CB 0.114 31.781 31.700 -0.055 0.000 0.906 942 P HA 0.166 nan 4.420 nan 0.000 0.275 942 P C -0.597 176.701 177.300 -0.003 0.000 1.228 942 P CA -0.175 62.941 63.100 0.027 0.000 0.786 942 P CB 0.408 32.121 31.700 0.021 0.000 0.927 943 A N 2.647 125.461 122.820 -0.009 0.000 2.520 943 A HA 0.038 4.358 4.320 0.000 0.000 0.245 943 A C 1.434 178.968 177.584 -0.084 0.000 1.072 943 A CA 0.006 52.012 52.037 -0.051 0.000 0.761 943 A CB -0.134 18.822 19.000 -0.073 0.000 1.004 943 A HN 0.703 nan 8.150 nan 0.000 0.499 944 D N 3.328 123.677 120.400 -0.086 0.000 2.084 944 D HA -0.193 4.447 4.640 0.000 0.000 0.196 944 D C 0.864 177.080 176.300 -0.139 0.000 0.985 944 D CA 1.034 54.982 54.000 -0.086 0.000 0.826 944 D CB -1.026 39.737 40.800 -0.061 0.000 0.978 944 D HN 1.037 nan 8.370 nan 0.000 0.456 945 L N 0.943 122.030 121.223 -0.227 0.000 4.046 945 L HA -0.225 4.115 4.340 0.000 0.000 0.501 945 L C 1.249 178.009 176.870 -0.184 0.000 1.119 945 L CA 0.556 55.176 54.840 -0.367 0.000 0.674 945 L CB -3.272 38.335 42.059 -0.754 0.000 1.299 945 L HN 0.133 nan 8.230 nan 0.000 0.764 946 S N -0.703 114.940 115.700 -0.095 0.000 2.400 946 S HA -0.183 4.288 4.470 0.000 0.000 0.232 946 S C 1.034 175.625 174.600 -0.015 0.000 1.025 946 S CA 0.992 59.167 58.200 -0.042 0.000 0.993 946 S CB -0.410 62.778 63.200 -0.020 0.000 0.808 946 S HN 0.837 nan 8.310 nan 0.000 0.478 947 D N 0.543 120.948 120.400 0.008 0.000 2.895 947 D HA 0.147 4.787 4.640 0.000 0.000 0.258 947 D C -0.143 176.229 176.300 0.121 0.000 1.311 947 D CA -0.316 53.723 54.000 0.065 0.000 0.843 947 D CB -0.420 40.434 40.800 0.091 0.000 1.055 947 D HN 0.482 nan 8.370 nan 0.000 0.486 948 Q N 0.957 120.804 119.800 0.079 0.000 2.314 948 Q HA 0.257 4.597 4.340 0.000 0.000 0.257 948 Q C -0.365 175.700 176.000 0.109 0.000 0.975 948 Q CA -0.571 55.317 55.803 0.142 0.000 0.933 948 Q CB 1.466 30.244 28.738 0.066 0.000 1.195 948 Q HN 0.041 nan 8.270 nan 0.000 0.426 949 V N 7.190 127.181 119.914 0.128 0.000 2.694 949 V HA 0.019 4.139 4.120 0.000 0.000 0.306 949 V C -1.984 174.142 176.094 0.053 0.000 1.054 949 V CA -0.838 61.504 62.300 0.070 0.000 1.161 949 V CB 0.394 32.245 31.823 0.047 0.000 0.916 949 V HN 0.799 nan 8.190 nan 0.000 0.490 950 P HA 0.196 nan 4.420 nan 0.000 0.268 950 P C 0.185 177.487 177.300 0.003 0.000 1.205 950 P CA 0.310 63.416 63.100 0.011 0.000 0.771 950 P CB 0.306 32.004 31.700 -0.003 0.000 0.858 951 D N -1.229 119.173 120.400 0.004 0.000 2.981 951 D HA -0.117 4.523 4.640 0.000 0.000 0.203 951 D C -0.366 175.943 176.300 0.014 0.000 1.049 951 D CA 1.824 55.822 54.000 -0.003 0.000 1.003 951 D CB -1.608 39.177 40.800 -0.024 0.000 1.085 951 D HN 0.528 nan 8.370 nan 0.000 0.432 952 T N -1.402 113.178 114.554 0.043 0.000 2.797 952 T HA 0.627 4.978 4.350 0.000 0.000 0.279 952 T C 0.630 175.395 174.700 0.109 0.000 0.991 952 T CA -0.712 61.439 62.100 0.085 0.000 0.979 952 T CB 2.198 71.142 68.868 0.126 0.000 0.943 952 T HN 0.042 nan 8.240 nan 0.000 0.444 953 E N 2.837 123.101 120.200 0.106 0.000 3.056 953 E HA 0.568 4.918 4.350 0.000 0.000 0.275 953 E C -0.143 176.524 176.600 0.112 0.000 1.468 953 E CA -0.683 55.769 56.400 0.087 0.000 1.219 953 E CB -0.051 29.687 29.700 0.064 0.000 1.119 953 E HN 1.052 nan 8.360 nan 0.000 0.710 954 S N -2.147 113.600 115.700 0.079 0.000 2.709 954 S HA 0.278 4.748 4.470 0.000 0.000 0.305 954 S C -1.141 173.491 174.600 0.054 0.000 0.974 954 S CA -0.995 57.259 58.200 0.090 0.000 0.837 954 S CB 0.201 63.497 63.200 0.160 0.000 1.032 954 S HN 0.776 nan 8.310 nan 0.000 0.461 955 E N 1.208 121.433 120.200 0.042 0.000 2.264 955 E HA 0.832 5.182 4.350 0.000 0.000 0.260 955 E C -1.165 175.451 176.600 0.026 0.000 0.961 955 E CA -0.961 55.452 56.400 0.021 0.000 0.834 955 E CB 2.075 31.778 29.700 0.005 0.000 1.230 955 E HN 0.574 nan 8.360 nan 0.000 0.412 956 T N 0.532 115.090 114.554 0.007 0.000 2.916 956 T HA 0.428 4.779 4.350 0.000 0.000 0.298 956 T C -0.821 173.871 174.700 -0.013 0.000 1.031 956 T CA -0.737 61.367 62.100 0.008 0.000 0.993 956 T CB 1.673 70.549 68.868 0.013 0.000 1.045 956 T HN 0.477 nan 8.240 nan 0.000 0.454 957 R N 1.869 122.365 120.500 -0.007 0.000 2.873 957 R HA 0.854 5.194 4.340 0.000 0.000 0.264 957 R C -1.346 174.944 176.300 -0.016 0.000 1.026 957 R CA -0.808 55.279 56.100 -0.020 0.000 1.002 957 R CB 1.016 31.307 30.300 -0.016 0.000 1.174 957 R HN 0.616 nan 8.270 nan 0.000 0.488 958 I N 2.372 122.923 120.570 -0.032 0.000 2.769 958 I HA 0.402 4.572 4.170 0.000 0.000 0.298 958 I C -1.165 174.930 176.117 -0.037 0.000 1.128 958 I CA -0.916 60.368 61.300 -0.025 0.000 1.031 958 I CB 2.319 40.292 38.000 -0.046 0.000 1.235 958 I HN 0.436 nan 8.210 nan 0.000 0.423 959 L N 5.801 127.010 121.223 -0.024 0.000 2.365 959 L HA 0.633 4.973 4.340 0.000 0.000 0.273 959 L C -1.595 175.253 176.870 -0.036 0.000 1.000 959 L CA -0.493 54.328 54.840 -0.032 0.000 0.819 959 L CB 1.805 43.853 42.059 -0.019 0.000 1.284 959 L HN 0.551 nan 8.230 nan 0.000 0.418 960 L N 5.201 126.392 121.223 -0.053 0.000 2.353 960 L HA 0.487 4.827 4.340 0.000 0.000 0.270 960 L C -0.923 175.925 176.870 -0.037 0.000 1.003 960 L CA -0.173 54.636 54.840 -0.053 0.000 0.862 960 L CB 1.478 43.481 42.059 -0.093 0.000 1.221 960 L HN 0.662 nan 8.230 nan 0.000 0.430 961 Q N 2.629 122.414 119.800 -0.026 0.000 2.309 961 Q HA 0.476 4.816 4.340 0.000 0.000 0.270 961 Q C -0.201 175.788 176.000 -0.020 0.000 1.023 961 Q CA -0.641 55.147 55.803 -0.024 0.000 0.758 961 Q CB 2.080 30.806 28.738 -0.021 0.000 1.247 961 Q HN 0.682 nan 8.270 nan 0.000 0.455 962 G N 1.774 110.558 108.800 -0.027 0.000 2.380 962 G HA2 0.308 4.269 3.960 0.000 0.000 0.262 962 G HA3 0.308 4.269 3.960 0.000 0.000 0.262 962 G C -0.380 174.503 174.900 -0.028 0.000 1.243 962 G CA -0.072 45.014 45.100 -0.023 0.000 0.865 962 G HN 0.566 nan 8.290 nan 0.000 0.513 963 T N 5.097 119.651 114.554 -0.000 0.000 3.401 963 T HA 0.346 4.696 4.350 0.000 0.000 0.341 963 T C -2.254 172.476 174.700 0.050 0.000 1.674 963 T CA -0.699 61.407 62.100 0.009 0.000 1.600 963 T CB 1.267 70.146 68.868 0.018 0.000 0.974 963 T HN 0.484 nan 8.240 nan 0.000 0.672 964 P HA 0.482 nan 4.420 nan 0.000 0.276 964 P C -0.480 176.948 177.300 0.213 0.000 1.244 964 P CA -0.451 62.752 63.100 0.170 0.000 0.801 964 P CB 1.489 33.337 31.700 0.247 0.000 1.006 965 V N 0.320 120.437 119.914 0.339 0.000 3.074 965 V HA 0.819 4.939 4.120 0.000 0.000 0.314 965 V C -1.221 175.289 176.094 0.693 0.000 1.117 965 V CA -0.938 61.610 62.300 0.414 0.000 1.014 965 V CB 1.916 33.931 31.823 0.320 0.000 1.057 965 V HN 0.848 nan 8.190 nan 0.000 0.438 966 A N 3.899 126.975 122.820 0.427 0.000 2.371 966 A HA 0.962 5.282 4.320 0.000 0.000 0.311 966 A C -0.855 176.807 177.584 0.130 0.000 1.068 966 A CA -0.509 51.732 52.037 0.340 0.000 0.744 966 A CB 2.060 21.215 19.000 0.258 0.000 1.239 966 A HN 0.801 nan 8.150 nan 0.000 0.435 967 Q N 0.298 120.135 119.800 0.061 0.000 2.834 967 Q HA 0.355 4.695 4.340 0.000 0.000 0.381 967 Q C -0.215 175.786 176.000 0.002 0.000 0.691 967 Q CA -1.002 54.781 55.803 -0.033 0.000 0.899 967 Q CB 0.329 28.957 28.738 -0.183 0.000 1.163 967 Q HN 1.085 nan 8.270 nan 0.000 0.475 968 M N 1.362 120.959 119.600 -0.005 0.000 2.076 968 M HA -0.193 4.287 4.480 0.000 0.000 0.189 968 M C -1.262 175.076 176.300 0.064 0.000 0.418 968 M CA 0.891 56.213 55.300 0.037 0.000 0.384 968 M CB -1.109 31.508 32.600 0.028 0.000 0.983 968 M HN 0.393 nan 8.290 nan 0.000 0.940 969 T N 0.931 115.538 114.554 0.088 0.000 2.840 969 T HA 0.484 4.834 4.350 0.000 0.000 0.287 969 T C -0.353 174.466 174.700 0.199 0.000 0.991 969 T CA -0.873 61.314 62.100 0.145 0.000 0.964 969 T CB 1.837 70.741 68.868 0.060 0.000 0.954 969 T HN 0.326 nan 8.240 nan 0.000 0.438 970 E N 1.626 122.029 120.200 0.339 0.000 2.227 970 E HA 0.299 4.649 4.350 0.000 0.000 0.268 970 E C -0.817 175.868 176.600 0.142 0.000 0.990 970 E CA -0.980 55.512 56.400 0.153 0.000 0.856 970 E CB 1.014 30.719 29.700 0.008 0.000 1.159 970 E HN 0.492 nan 8.360 nan 0.000 0.401 971 D N 1.235 121.671 120.400 0.060 0.000 2.312 971 D HA 0.231 4.871 4.640 0.000 0.000 0.252 971 D C 0.022 176.347 176.300 0.041 0.000 1.150 971 D CA -0.040 53.996 54.000 0.060 0.000 0.870 971 D CB 1.231 42.057 40.800 0.044 0.000 1.153 971 D HN 0.449 nan 8.370 nan 0.000 0.457 972 A N 2.320 125.191 122.820 0.085 0.000 2.407 972 A HA 0.226 4.546 4.320 0.000 0.000 0.257 972 A C 0.252 177.926 177.584 0.150 0.000 1.131 972 A CA -0.362 51.768 52.037 0.155 0.000 0.803 972 A CB 0.268 19.357 19.000 0.149 0.000 1.083 972 A HN 0.396 nan 8.150 nan 0.000 0.512 973 V N 0.628 120.681 119.914 0.231 0.000 2.607 973 V HA 0.102 4.223 4.120 0.000 0.000 0.289 973 V C 0.893 177.079 176.094 0.154 0.000 1.053 973 V CA -0.157 62.211 62.300 0.114 0.000 0.996 973 V CB 1.195 33.026 31.823 0.015 0.000 0.995 973 V HN 0.912 nan 8.190 nan 0.000 0.476 974 D N 3.347 123.816 120.400 0.115 0.000 2.357 974 D HA -0.161 4.479 4.640 0.000 0.000 0.216 974 D C 1.778 178.176 176.300 0.163 0.000 0.973 974 D CA 1.351 55.428 54.000 0.128 0.000 0.912 974 D CB -0.107 40.764 40.800 0.118 0.000 0.900 974 D HN 0.932 nan 8.370 nan 0.000 0.501 975 A N 0.106 123.042 122.820 0.192 0.000 2.869 975 A HA -0.349 3.972 4.320 0.000 0.000 0.272 975 A C 1.615 179.312 177.584 0.187 0.000 1.332 975 A CA 1.720 53.877 52.037 0.200 0.000 0.939 975 A CB -1.588 17.530 19.000 0.197 0.000 1.018 975 A HN 0.392 nan 8.150 nan 0.000 0.696 976 E N -0.521 119.787 120.200 0.180 0.000 2.051 976 E HA -0.098 4.252 4.350 0.000 0.000 0.189 976 E C 1.489 178.083 176.600 -0.010 0.000 0.979 976 E CA 1.125 57.571 56.400 0.077 0.000 0.803 976 E CB -0.102 29.648 29.700 0.082 0.000 0.761 976 E HN 0.824 nan 8.360 nan 0.000 0.451 977 R N 0.967 121.467 120.500 0.000 0.000 2.568 977 R HA 0.187 4.527 4.340 0.000 0.000 0.288 977 R C 0.773 176.821 176.300 -0.421 0.000 1.077 977 R CA -0.030 55.887 56.100 -0.305 0.000 1.102 977 R CB 0.198 30.203 30.300 -0.491 0.000 1.278 977 R HN 0.046 nan 8.270 nan 0.000 0.560 978 L N 1.530 122.697 121.223 -0.095 0.000 2.956 978 L HA 0.289 4.629 4.340 0.000 0.000 0.232 978 L C -0.573 176.107 176.870 -0.316 0.000 1.291 978 L CA 0.034 54.800 54.840 -0.123 0.000 1.122 978 L CB 0.113 42.280 42.059 0.181 0.000 1.461 978 L HN 0.022 nan 8.230 nan 0.000 0.470 979 K N 1.467 121.676 120.400 -0.319 0.000 3.147 979 K HA 0.251 4.571 4.320 0.000 0.000 0.214 979 K C 0.334 176.873 176.600 -0.102 0.000 1.221 979 K CA -0.161 55.974 56.287 -0.252 0.000 1.117 979 K CB 0.171 32.515 32.500 -0.261 0.000 1.278 979 K HN 0.533 nan 8.250 nan 0.000 0.479 980 H N -1.750 117.305 119.070 -0.024 0.000 3.650 980 H HA 0.106 4.662 4.556 0.000 0.000 0.260 980 H C 1.254 176.600 175.328 0.030 0.000 1.194 980 H CA -0.330 55.717 56.048 -0.002 0.000 1.135 980 H CB 0.151 29.904 29.762 -0.014 0.000 1.612 980 H HN 0.146 nan 8.280 nan 0.000 0.703 981 L N 1.328 122.472 121.223 -0.132 0.000 2.275 981 L HA 0.056 4.397 4.340 0.000 0.000 0.215 981 L C 0.578 177.466 176.870 0.030 0.000 1.119 981 L CA 0.856 55.667 54.840 -0.049 0.000 0.790 981 L CB 0.120 42.090 42.059 -0.148 0.000 0.919 981 L HN 0.183 nan 8.230 nan 0.000 0.443 982 I N 0.883 121.486 120.570 0.055 0.000 2.325 982 I HA 0.166 4.336 4.170 0.000 0.000 0.285 982 I C -0.187 175.978 176.117 0.080 0.000 1.128 982 I CA -0.007 61.340 61.300 0.079 0.000 1.261 982 I CB 0.269 38.335 38.000 0.111 0.000 1.529 982 I HN -0.219 nan 8.210 nan 0.000 0.557 983 V N 3.100 123.061 119.914 0.079 0.000 2.481 983 V HA 0.234 4.354 4.120 0.000 0.000 0.286 983 V C 0.882 177.019 176.094 0.071 0.000 1.042 983 V CA -0.314 62.031 62.300 0.075 0.000 0.928 983 V CB 1.909 33.779 31.823 0.078 0.000 0.986 983 V HN 0.566 nan 8.190 nan 0.000 0.462 984 T N 7.498 122.091 114.554 0.064 0.000 2.888 984 T HA 0.139 4.489 4.350 0.000 0.000 0.301 984 T C -2.358 172.380 174.700 0.063 0.000 1.001 984 T CA -0.472 61.666 62.100 0.062 0.000 1.147 984 T CB 0.545 69.446 68.868 0.055 0.000 0.931 984 T HN 0.474 nan 8.240 nan 0.000 0.541 985 P HA 0.078 nan 4.420 nan 0.000 0.253 985 P C -0.661 176.680 177.300 0.068 0.000 1.170 985 P CA 0.245 63.389 63.100 0.073 0.000 0.806 985 P CB -0.035 31.715 31.700 0.083 0.000 0.775 986 S N 2.671 118.404 115.700 0.056 0.000 2.546 986 S HA 0.838 5.309 4.470 0.000 0.000 0.272 986 S C -0.265 174.352 174.600 0.028 0.000 1.140 986 S CA 0.010 58.242 58.200 0.053 0.000 0.920 986 S CB 1.847 65.076 63.200 0.049 0.000 1.083 986 S HN 0.753 nan 8.310 nan 0.000 0.476 987 G N 0.896 109.720 108.800 0.041 0.000 2.384 987 G HA2 0.153 4.113 3.960 0.000 0.000 0.668 987 G HA3 0.153 4.113 3.960 0.000 0.000 0.668 987 G C 0.101 174.920 174.900 -0.136 0.000 1.280 987 G CA -0.419 44.670 45.100 -0.018 0.000 0.992 987 G HN 2.322 nan 8.290 nan 0.000 0.512 988 C N 0.552 119.651 119.300 -0.334 0.000 2.703 988 C HA 0.616 5.076 4.460 0.000 0.000 0.411 988 C C 2.522 176.984 174.990 -0.880 0.000 1.290 988 C CA 0.690 59.166 59.018 -0.903 0.000 2.054 988 C CB 0.191 27.441 27.740 -0.816 0.000 2.732 988 C HN 2.574 nan 8.230 nan 0.000 0.650 989 G N 1.655 109.683 108.800 -1.288 0.000 2.857 989 G HA2 -0.316 3.644 3.960 0.000 0.000 0.226 989 G HA3 -0.316 3.644 3.960 0.000 0.000 0.226 989 G C 1.254 175.996 174.900 -0.263 0.000 1.100 989 G CA 1.748 46.504 45.100 -0.575 0.000 0.744 989 G HN 0.980 nan 8.290 nan 0.000 0.642 990 E N -1.104 118.929 120.200 -0.278 0.000 2.276 990 E HA 0.106 4.456 4.350 0.000 0.000 0.193 990 E C 2.286 178.709 176.600 -0.296 0.000 0.983 990 E CA 0.666 56.963 56.400 -0.173 0.000 0.861 990 E CB -0.029 29.609 29.700 -0.103 0.000 0.817 990 E HN 0.431 nan 8.360 nan 0.000 0.485 991 Q N 0.721 120.314 119.800 -0.345 0.000 2.402 991 Q HA 0.068 4.408 4.340 0.000 0.000 0.206 991 Q C 1.362 177.271 176.000 -0.151 0.000 0.919 991 Q CA 0.482 56.095 55.803 -0.316 0.000 0.923 991 Q CB 0.235 28.826 28.738 -0.246 0.000 1.048 991 Q HN 0.022 nan 8.270 nan 0.000 0.515 992 N N -0.864 117.752 118.700 -0.140 0.000 2.521 992 N HA 0.019 4.759 4.740 0.000 0.000 0.188 992 N C 0.478 176.003 175.510 0.025 0.000 1.146 992 N CA 0.651 53.676 53.050 -0.042 0.000 0.893 992 N CB 0.301 38.759 38.487 -0.049 0.000 0.975 992 N HN 0.248 nan 8.380 nan 0.000 0.451 993 M N -1.347 118.265 119.600 0.020 0.000 2.211 993 M HA 0.241 4.721 4.480 0.000 0.000 0.338 993 M C 1.183 177.555 176.300 0.119 0.000 0.893 993 M CA 0.061 55.433 55.300 0.119 0.000 1.096 993 M CB 0.530 33.255 32.600 0.209 0.000 1.923 993 M HN 0.024 nan 8.290 nan 0.000 0.656 994 I N -0.135 120.447 120.570 0.019 0.000 2.439 994 I HA -0.077 4.093 4.170 0.000 0.000 0.251 994 I C 1.930 178.089 176.117 0.069 0.000 1.139 994 I CA 1.406 62.719 61.300 0.021 0.000 1.438 994 I CB -0.252 37.705 38.000 -0.073 0.000 1.085 994 I HN 0.305 nan 8.210 nan 0.000 0.427 995 G N 0.392 109.227 108.800 0.058 0.000 3.277 995 G HA2 0.142 4.102 3.960 0.000 0.000 0.243 995 G HA3 0.142 4.102 3.960 0.000 0.000 0.243 995 G C 1.328 176.283 174.900 0.093 0.000 1.107 995 G CA -0.147 44.998 45.100 0.076 0.000 0.771 995 G HN 0.370 nan 8.290 nan 0.000 0.544 996 M N -1.795 117.872 119.600 0.110 0.000 2.308 996 M HA 0.308 4.788 4.480 0.000 0.000 0.269 996 M C 1.552 177.947 176.300 0.158 0.000 1.040 996 M CA 0.378 55.751 55.300 0.120 0.000 1.024 996 M CB 0.103 32.771 32.600 0.113 0.000 1.465 996 M HN -0.128 nan 8.290 nan 0.000 0.517 997 T N 2.821 117.494 114.554 0.199 0.000 2.737 997 T HA 0.030 4.381 4.350 0.000 0.000 0.265 997 T C -0.868 174.004 174.700 0.288 0.000 1.038 997 T CA 1.678 63.952 62.100 0.291 0.000 1.144 997 T CB -1.060 68.011 68.868 0.338 0.000 0.866 997 T HN 0.383 nan 8.240 nan 0.000 0.434 998 P HA -0.020 nan 4.420 nan 0.000 0.222 998 P C 1.328 178.673 177.300 0.075 0.000 1.147 998 P CA 1.068 64.252 63.100 0.141 0.000 0.790 998 P CB -0.292 31.484 31.700 0.127 0.000 0.780 999 T N 0.618 115.230 114.554 0.095 0.000 2.564 999 T HA -0.093 4.257 4.350 0.000 0.000 0.259 999 T C 2.007 176.741 174.700 0.057 0.000 1.087 999 T CA 1.598 63.739 62.100 0.070 0.000 1.184 999 T CB -1.117 67.800 68.868 0.081 0.000 0.864 999 T HN -0.139 nan 8.240 nan 0.000 0.403 1000 V N 1.284 121.250 119.914 0.087 0.000 2.453 1000 V HA -0.150 3.970 4.120 0.000 0.000 0.252 1000 V C 2.383 178.518 176.094 0.068 0.000 1.068 1000 V CA 1.248 63.596 62.300 0.080 0.000 1.070 1000 V CB -0.654 31.229 31.823 0.100 0.000 0.664 1000 V HN 0.349 nan 8.190 nan 0.000 0.461 1001 I N 0.540 121.147 120.570 0.061 0.000 2.315 1001 I HA -0.107 4.063 4.170 0.000 0.000 0.248 1001 I C 2.365 178.389 176.117 -0.154 0.000 1.117 1001 I CA 1.524 62.811 61.300 -0.021 0.000 1.404 1001 I CB -0.552 37.452 38.000 0.006 0.000 1.071 1001 I HN 0.181 nan 8.210 nan 0.000 0.419 1002 A N -0.734 121.967 122.820 -0.198 0.000 2.015 1002 A HA -0.103 4.217 4.320 0.000 0.000 0.219 1002 A C 2.353 179.780 177.584 -0.261 0.000 1.163 1002 A CA 1.803 53.656 52.037 -0.307 0.000 0.646 1002 A CB -0.912 17.939 19.000 -0.249 0.000 0.806 1002 A HN 0.288 nan 8.150 nan 0.000 0.448 1003 V N -0.925 118.928 119.914 -0.102 0.000 2.346 1003 V HA -0.196 3.924 4.120 0.000 0.000 0.244 1003 V C 2.431 178.543 176.094 0.030 0.000 1.037 1003 V CA 2.204 64.502 62.300 -0.004 0.000 1.029 1003 V CB -0.890 31.000 31.823 0.111 0.000 0.663 1003 V HN 0.834 nan 8.190 nan 0.000 0.454 1004 H N -1.173 117.877 119.070 -0.033 0.000 2.456 1004 H HA -0.220 4.337 4.556 0.000 0.000 0.296 1004 H C 1.966 177.271 175.328 -0.038 0.000 1.079 1004 H CA 2.136 58.172 56.048 -0.021 0.000 1.322 1004 H CB -0.165 29.583 29.762 -0.023 0.000 1.388 1004 H HN 0.523 nan 8.280 nan 0.000 0.538 1005 Y N 0.388 120.523 120.300 -0.275 0.000 2.138 1005 Y HA -0.018 4.533 4.550 0.000 0.000 0.286 1005 Y C 2.005 177.673 175.900 -0.386 0.000 1.115 1005 Y CA 1.492 59.392 58.100 -0.334 0.000 1.105 1005 Y CB -0.344 37.922 38.460 -0.324 0.000 1.004 1005 Y HN 0.161 nan 8.280 nan 0.000 0.494 1006 L N 0.564 121.517 121.223 -0.450 0.000 2.642 1006 L HA -0.158 4.182 4.340 0.000 0.000 0.236 1006 L C 1.477 177.885 176.870 -0.769 0.000 1.169 1006 L CA 0.745 55.105 54.840 -0.800 0.000 0.851 1006 L CB -0.475 40.775 42.059 -1.348 0.000 0.968 1006 L HN 0.276 nan 8.230 nan 0.000 0.453 1007 D N 0.333 120.517 120.400 -0.360 0.000 2.120 1007 D HA -0.086 4.554 4.640 0.000 0.000 0.202 1007 D C 1.435 177.646 176.300 -0.149 0.000 0.972 1007 D CA 1.077 55.058 54.000 -0.032 0.000 0.837 1007 D CB 0.151 40.959 40.800 0.013 0.000 0.989 1007 D HN 0.295 nan 8.370 nan 0.000 0.469 1008 E N 0.112 120.123 120.200 -0.315 0.000 2.411 1008 E HA 0.108 4.459 4.350 0.000 0.000 0.204 1008 E C 0.651 177.038 176.600 -0.354 0.000 1.059 1008 E CA 0.172 56.393 56.400 -0.298 0.000 1.112 1008 E CB 0.328 29.830 29.700 -0.331 0.000 1.168 1008 E HN 0.340 nan 8.360 nan 0.000 0.445 1009 T N -3.347 110.983 114.554 -0.373 0.000 3.092 1009 T HA 0.035 4.385 4.350 0.000 0.000 0.273 1009 T C 0.476 175.062 174.700 -0.190 0.000 0.898 1009 T CA -0.350 61.545 62.100 -0.342 0.000 0.868 1009 T CB 0.320 68.832 68.868 -0.593 0.000 1.228 1009 T HN 0.008 nan 8.240 nan 0.000 0.555 1010 E N 1.099 121.207 120.200 -0.152 0.000 2.868 1010 E HA -0.200 4.150 4.350 0.000 0.000 0.278 1010 E C 0.585 177.171 176.600 -0.023 0.000 1.009 1010 E CA 0.581 56.961 56.400 -0.033 0.000 0.856 1010 E CB -1.670 28.025 29.700 -0.008 0.000 1.428 1010 E HN 0.575 nan 8.360 nan 0.000 0.423 1011 Q N -1.451 118.278 119.800 -0.119 0.000 2.451 1011 Q HA -0.036 4.304 4.340 0.000 0.000 0.206 1011 Q C 1.544 177.548 176.000 0.007 0.000 0.947 1011 Q CA 0.313 56.080 55.803 -0.061 0.000 0.937 1011 Q CB -0.159 28.527 28.738 -0.087 0.000 1.025 1011 Q HN 0.520 nan 8.270 nan 0.000 0.511 1012 W N 1.648 122.917 121.300 -0.053 0.000 2.359 1012 W HA -0.219 4.441 4.660 0.000 0.000 0.275 1012 W C 1.765 178.300 176.519 0.028 0.000 1.217 1012 W CA 0.873 58.176 57.345 -0.069 0.000 1.196 1012 W CB 0.277 29.678 29.460 -0.099 0.000 1.129 1012 W HN 0.311 nan 8.180 nan 0.000 0.566 1013 E N 0.116 120.472 120.200 0.260 0.000 2.028 1013 E HA -0.172 4.178 4.350 0.000 0.000 0.190 1013 E C 2.057 178.766 176.600 0.182 0.000 0.984 1013 E CA 1.036 57.548 56.400 0.186 0.000 0.800 1013 E CB -0.242 29.531 29.700 0.121 0.000 0.758 1013 E HN 0.152 nan 8.360 nan 0.000 0.448 1014 K N 0.242 120.744 120.400 0.171 0.000 2.365 1014 K HA -0.012 4.309 4.320 0.000 0.000 0.197 1014 K C 1.740 178.444 176.600 0.173 0.000 1.042 1014 K CA 0.470 56.840 56.287 0.139 0.000 0.987 1014 K CB -0.022 32.538 32.500 0.101 0.000 0.779 1014 K HN 0.163 nan 8.250 nan 0.000 0.484 1015 F N 1.635 121.626 119.950 0.067 0.000 2.123 1015 F HA 0.130 4.657 4.527 0.000 0.000 0.289 1015 F C 0.502 176.364 175.800 0.102 0.000 1.099 1015 F CA 1.114 59.150 58.000 0.060 0.000 1.234 1015 F CB 0.618 39.632 39.000 0.023 0.000 1.034 1015 F HN 0.110 nan 8.300 nan 0.000 0.479 1016 G N 0.565 109.743 108.800 0.630 0.000 2.225 1016 G HA2 0.045 4.005 3.960 0.000 0.000 0.184 1016 G HA3 0.045 4.005 3.960 0.000 0.000 0.184 1016 G C -0.037 175.105 174.900 0.402 0.000 2.549 1016 G CA -0.449 44.916 45.100 0.441 0.000 0.925 1016 G HN 0.325 nan 8.290 nan 0.000 0.550 1017 L N 0.313 121.671 121.223 0.226 0.000 2.351 1017 L HA -0.157 4.183 4.340 0.000 0.000 0.220 1017 L C 2.555 179.370 176.870 -0.091 0.000 1.127 1017 L CA 2.126 56.981 54.840 0.025 0.000 0.786 1017 L CB 0.058 42.108 42.059 -0.015 0.000 0.914 1017 L HN 0.728 nan 8.230 nan 0.000 0.443 1018 E N -0.736 119.482 120.200 0.029 0.000 2.216 1018 E HA -0.087 4.263 4.350 0.000 0.000 0.192 1018 E C 1.690 178.313 176.600 0.039 0.000 0.973 1018 E CA 0.355 56.757 56.400 0.004 0.000 0.851 1018 E CB -0.190 29.526 29.700 0.026 0.000 0.804 1018 E HN 0.234 nan 8.360 nan 0.000 0.477 1019 K N 0.930 121.425 120.400 0.157 0.000 2.515 1019 K HA 0.019 4.339 4.320 0.000 0.000 0.196 1019 K C 1.975 178.682 176.600 0.179 0.000 1.038 1019 K CA 0.447 56.858 56.287 0.206 0.000 0.967 1019 K CB -0.051 32.664 32.500 0.357 0.000 0.780 1019 K HN 0.032 nan 8.250 nan 0.000 0.483 1020 R N 1.181 121.706 120.500 0.042 0.000 2.115 1020 R HA -0.167 4.173 4.340 0.000 0.000 0.230 1020 R C 1.812 178.057 176.300 -0.092 0.000 1.111 1020 R CA 1.449 57.467 56.100 -0.137 0.000 0.976 1020 R CB 0.123 29.847 30.300 -0.960 0.000 0.870 1020 R HN 0.044 nan 8.270 nan 0.000 0.445 1021 Q N -0.800 118.946 119.800 -0.090 0.000 2.360 1021 Q HA 0.110 4.450 4.340 0.000 0.000 0.202 1021 Q C 0.933 176.928 176.000 -0.008 0.000 0.915 1021 Q CA 0.612 56.380 55.803 -0.059 0.000 0.943 1021 Q CB 0.732 29.424 28.738 -0.076 0.000 1.064 1021 Q HN 0.437 nan 8.270 nan 0.000 0.511 1022 G N -1.345 107.471 108.800 0.026 0.000 3.284 1022 G HA2 0.348 4.309 3.960 0.000 0.000 0.236 1022 G HA3 0.348 4.309 3.960 0.000 0.000 0.236 1022 G C 0.684 175.625 174.900 0.068 0.000 1.158 1022 G CA 0.441 45.571 45.100 0.049 0.000 0.774 1022 G HN 0.333 nan 8.290 nan 0.000 0.545 1023 A N -0.451 122.409 122.820 0.067 0.000 2.141 1023 A HA 0.386 4.706 4.320 0.000 0.000 0.196 1023 A C 1.419 179.036 177.584 0.055 0.000 1.502 1023 A CA 0.019 52.106 52.037 0.083 0.000 1.075 1023 A CB 0.132 19.214 19.000 0.137 0.000 1.217 1023 A HN 0.176 nan 8.150 nan 0.000 0.477 1024 L N 0.922 122.161 121.223 0.026 0.000 2.693 1024 L HA 0.170 4.510 4.340 0.000 0.000 0.242 1024 L C 0.304 177.171 176.870 -0.005 0.000 1.157 1024 L CA 1.255 56.095 54.840 -0.001 0.000 0.929 1024 L CB -0.991 41.049 42.059 -0.032 0.000 1.103 1024 L HN 0.515 nan 8.230 nan 0.000 0.430 1025 E N -0.787 119.421 120.200 0.014 0.000 2.846 1025 E HA 0.212 4.563 4.350 0.000 0.000 0.211 1025 E C 0.357 176.978 176.600 0.034 0.000 0.975 1025 E CA 0.037 56.448 56.400 0.018 0.000 1.211 1025 E CB 0.735 30.444 29.700 0.015 0.000 1.052 1025 E HN 0.272 nan 8.360 nan 0.000 0.487 1026 L N 0.830 122.078 121.223 0.041 0.000 3.393 1026 L HA 0.444 4.784 4.340 0.000 0.000 0.319 1026 L C 0.602 177.504 176.870 0.054 0.000 1.309 1026 L CA 0.178 55.050 54.840 0.053 0.000 0.962 1026 L CB 0.424 42.519 42.059 0.060 0.000 1.391 1026 L HN 0.122 nan 8.230 nan 0.000 0.607 1027 I N -0.983 119.610 120.570 0.039 0.000 3.990 1027 I HA 0.034 4.204 4.170 0.000 0.000 0.275 1027 I C 1.859 177.983 176.117 0.013 0.000 1.157 1027 I CA 0.111 61.423 61.300 0.021 0.000 1.338 1027 I CB 0.610 38.607 38.000 -0.005 0.000 1.588 1027 I HN 0.092 nan 8.210 nan 0.000 0.441 1028 K N 1.970 122.371 120.400 0.000 0.000 2.459 1028 K HA -0.065 4.255 4.320 0.000 0.000 0.193 1028 K C 1.865 178.536 176.600 0.118 0.000 1.030 1028 K CA 0.666 56.973 56.287 0.033 0.000 1.026 1028 K CB 0.372 32.849 32.500 -0.040 0.000 0.809 1028 K HN 0.077 nan 8.250 nan 0.000 0.504 1029 K N -0.330 120.120 120.400 0.083 0.000 2.044 1029 K HA -0.039 4.282 4.320 0.000 0.000 0.204 1029 K C 1.821 178.479 176.600 0.097 0.000 1.049 1029 K CA 1.419 57.755 56.287 0.081 0.000 0.945 1029 K CB -0.153 32.385 32.500 0.062 0.000 0.724 1029 K HN 0.204 nan 8.250 nan 0.000 0.440 1030 G N -0.521 108.344 108.800 0.108 0.000 2.511 1030 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 1030 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 1030 G C 1.197 176.190 174.900 0.154 0.000 1.133 1030 G CA 0.277 45.452 45.100 0.124 0.000 0.792 1030 G HN 0.423 nan 8.290 nan 0.000 0.539 1031 Y N 2.047 122.356 120.300 0.015 0.000 2.483 1031 Y HA -0.067 4.483 4.550 0.000 0.000 0.291 1031 Y C 1.956 177.887 175.900 0.052 0.000 1.143 1031 Y CA 1.742 59.837 58.100 -0.008 0.000 1.289 1031 Y CB 0.251 38.641 38.460 -0.117 0.000 0.983 1031 Y HN 0.143 nan 8.280 nan 0.000 0.556 1032 T N -0.819 113.717 114.554 -0.029 0.000 3.040 1032 T HA 0.088 4.438 4.350 0.000 0.000 0.266 1032 T C 1.043 175.723 174.700 -0.032 0.000 1.005 1032 T CA 0.147 62.192 62.100 -0.092 0.000 0.906 1032 T CB 0.307 69.166 68.868 -0.014 0.000 1.082 1032 T HN 0.391 nan 8.240 nan 0.000 0.531 1033 Q N 0.351 120.174 119.800 0.040 0.000 2.402 1033 Q HA 0.202 4.542 4.340 0.000 0.000 0.231 1033 Q C 2.032 178.166 176.000 0.224 0.000 0.888 1033 Q CA 0.158 56.021 55.803 0.101 0.000 0.938 1033 Q CB 0.106 28.934 28.738 0.151 0.000 1.086 1033 Q HN 0.173 nan 8.270 nan 0.000 0.543 1034 Q N 1.281 121.195 119.800 0.190 0.000 2.245 1034 Q HA 0.049 4.389 4.340 0.000 0.000 0.201 1034 Q C 1.290 177.378 176.000 0.146 0.000 0.955 1034 Q CA 0.922 56.871 55.803 0.243 0.000 0.870 1034 Q CB 0.149 29.042 28.738 0.259 0.000 0.945 1034 Q HN 0.332 nan 8.270 nan 0.000 0.461 1035 L N 0.175 121.389 121.223 -0.016 0.000 2.693 1035 L HA 0.194 4.535 4.340 0.000 0.000 0.242 1035 L C 0.431 177.234 176.870 -0.112 0.000 1.157 1035 L CA 0.317 55.093 54.840 -0.108 0.000 0.929 1035 L CB -0.057 41.842 42.059 -0.266 0.000 1.103 1035 L HN 0.176 nan 8.230 nan 0.000 0.430 1036 A N -1.326 121.425 122.820 -0.115 0.000 2.701 1036 A HA 0.426 4.746 4.320 0.000 0.000 0.297 1036 A C 0.152 177.205 177.584 -0.886 0.000 1.197 1036 A CA -0.191 51.594 52.037 -0.419 0.000 0.963 1036 A CB -0.213 18.495 19.000 -0.487 0.000 1.175 1036 A HN 0.386 nan 8.150 nan 0.000 0.531 1037 F N -1.724 118.200 119.950 -0.043 0.000 3.206 1037 F HA 0.272 4.799 4.527 0.000 0.000 0.360 1037 F C 0.692 176.458 175.800 -0.056 0.000 1.233 1037 F CA -0.481 57.497 58.000 -0.036 0.000 0.936 1037 F CB 0.342 39.320 39.000 -0.037 0.000 1.571 1037 F HN 0.226 nan 8.300 nan 0.000 0.499 1038 R N 2.748 123.270 120.500 0.037 0.000 3.268 1038 R HA 0.230 4.570 4.340 0.000 0.000 0.217 1038 R C 0.206 176.469 176.300 -0.063 0.000 1.568 1038 R CA -0.048 56.030 56.100 -0.036 0.000 1.322 1038 R CB -0.046 30.213 30.300 -0.068 0.000 1.280 1038 R HN 0.316 nan 8.270 nan 0.000 0.667 1039 Q N 2.626 122.395 119.800 -0.051 0.000 2.858 1039 Q HA -0.119 4.221 4.340 0.000 0.000 0.253 1039 Q C -1.451 174.488 176.000 -0.100 0.000 1.191 1039 Q CA -0.633 55.136 55.803 -0.058 0.000 1.077 1039 Q CB -0.012 28.698 28.738 -0.047 0.000 1.356 1039 Q HN 0.346 nan 8.270 nan 0.000 0.576 1040 P HA -0.213 nan 4.420 nan 0.000 0.218 1040 P C 0.356 177.578 177.300 -0.130 0.000 1.147 1040 P CA 1.322 64.379 63.100 -0.072 0.000 0.827 1040 P CB 0.022 31.704 31.700 -0.029 0.000 0.778 1047 F N 0.717 120.667 119.950 -0.001 0.000 2.650 1047 F HA 0.164 4.691 4.527 0.000 0.000 0.355 1047 F C 2.089 177.976 175.800 0.145 0.000 1.163 1047 F CA 1.515 59.571 58.000 0.092 0.000 1.374 1047 F CB 0.657 39.701 39.000 0.073 0.000 1.065 1047 F HN 0.572 nan 8.300 nan 0.000 0.616 1048 V N -0.186 119.975 119.914 0.411 0.000 2.725 1048 V HA -0.082 4.038 4.120 0.000 0.000 0.247 1048 V C 1.867 178.071 176.094 0.184 0.000 1.058 1048 V CA 1.025 63.471 62.300 0.243 0.000 1.080 1048 V CB -0.637 31.291 31.823 0.174 0.000 0.713 1048 V HN 0.796 nan 8.190 nan 0.000 0.465 1049 K N 1.137 121.663 120.400 0.210 0.000 2.059 1049 K HA -0.169 4.151 4.320 0.000 0.000 0.212 1049 K C 1.573 178.213 176.600 0.066 0.000 1.050 1049 K CA 1.922 58.266 56.287 0.095 0.000 0.927 1049 K CB -0.261 32.243 32.500 0.007 0.000 0.714 1049 K HN 0.623 nan 8.250 nan 0.000 0.447 1050 R N 0.880 121.450 120.500 0.117 0.000 2.500 1050 R HA 0.307 4.647 4.340 0.000 0.000 0.275 1050 R C -0.822 175.542 176.300 0.107 0.000 1.051 1050 R CA -0.211 55.944 56.100 0.091 0.000 1.088 1050 R CB 0.864 31.253 30.300 0.147 0.000 1.063 1050 R HN 0.067 nan 8.270 nan 0.000 0.511 1051 A N 5.139 128.013 122.820 0.090 0.000 2.540 1051 A HA 0.185 4.505 4.320 0.000 0.000 0.239 1051 A C -1.950 175.712 177.584 0.129 0.000 1.061 1051 A CA -1.021 51.080 52.037 0.106 0.000 0.758 1051 A CB -0.378 18.685 19.000 0.104 0.000 0.991 1051 A HN 0.655 nan 8.150 nan 0.000 0.502 1052 P HA 0.021 nan 4.420 nan 0.000 0.265 1052 P C -0.129 177.295 177.300 0.207 0.000 1.193 1052 P CA 0.210 63.364 63.100 0.091 0.000 0.765 1052 P CB 0.683 32.357 31.700 -0.043 0.000 0.823 1053 S N 1.505 117.322 115.700 0.195 0.000 2.499 1053 S HA 0.183 4.654 4.470 0.000 0.000 0.279 1053 S C 1.279 176.099 174.600 0.367 0.000 1.219 1053 S CA -0.358 58.004 58.200 0.269 0.000 1.062 1053 S CB -0.097 63.260 63.200 0.262 0.000 0.978 1053 S HN 0.374 nan 8.310 nan 0.000 0.489 1054 T N 4.366 119.163 114.554 0.404 0.000 3.113 1054 T HA -0.035 4.315 4.350 0.000 0.000 0.263 1054 T C 0.873 175.786 174.700 0.355 0.000 1.143 1054 T CA 0.654 63.005 62.100 0.418 0.000 1.090 1054 T CB -0.155 68.881 68.868 0.280 0.000 0.922 1054 T HN 0.841 nan 8.240 nan 0.000 0.521 1055 W N 0.250 121.653 121.300 0.172 0.000 2.762 1055 W HA 0.357 5.017 4.660 0.000 0.000 0.265 1055 W C 1.287 177.896 176.519 0.150 0.000 1.263 1055 W CA -0.280 57.135 57.345 0.117 0.000 1.411 1055 W CB 0.193 29.650 29.460 -0.005 0.000 1.065 1055 W HN 0.108 nan 8.180 nan 0.000 0.609 1056 L N 0.198 121.623 121.223 0.337 0.000 2.592 1056 L HA 0.278 4.618 4.340 0.000 0.000 0.227 1056 L C 1.364 178.265 176.870 0.051 0.000 1.127 1056 L CA 1.409 56.369 54.840 0.200 0.000 0.884 1056 L CB -0.283 41.930 42.059 0.256 0.000 1.065 1056 L HN -0.195 nan 8.230 nan 0.000 0.457 1057 T N -1.289 113.305 114.554 0.068 0.000 2.990 1057 T HA 0.275 4.626 4.350 0.000 0.000 0.249 1057 T C 1.412 176.130 174.700 0.030 0.000 1.039 1057 T CA 0.579 62.688 62.100 0.014 0.000 1.036 1057 T CB 0.450 69.333 68.868 0.025 0.000 0.994 1057 T HN 0.303 nan 8.240 nan 0.000 0.489 1058 A N -0.321 122.531 122.820 0.053 0.000 2.345 1058 A HA 0.322 4.642 4.320 0.000 0.000 0.225 1058 A C 1.216 178.759 177.584 -0.070 0.000 1.243 1058 A CA 0.095 52.134 52.037 0.003 0.000 0.875 1058 A CB -0.370 18.664 19.000 0.057 0.000 0.929 1058 A HN 0.545 nan 8.150 nan 0.000 0.502 1059 Y N -1.461 118.668 120.300 -0.283 0.000 2.500 1059 Y HA 0.302 4.852 4.550 0.000 0.000 0.246 1059 Y C 1.200 176.932 175.900 -0.280 0.000 1.146 1059 Y CA 0.199 58.091 58.100 -0.347 0.000 1.230 1059 Y CB 0.727 38.813 38.460 -0.623 0.000 1.214 1059 Y HN 0.002 nan 8.280 nan 0.000 0.526 1060 V N -0.185 119.545 119.914 -0.307 0.000 3.541 1060 V HA -0.055 4.065 4.120 0.000 0.000 0.267 1060 V C 1.126 176.889 176.094 -0.551 0.000 1.213 1060 V CA 1.271 63.271 62.300 -0.500 0.000 1.149 1060 V CB 0.321 31.875 31.823 -0.449 0.000 0.822 1060 V HN 0.295 nan 8.190 nan 0.000 0.462 1061 V N -0.855 118.870 119.914 -0.315 0.000 3.578 1061 V HA 0.182 4.302 4.120 0.000 0.000 0.290 1061 V C 1.709 177.718 176.094 -0.141 0.000 1.376 1061 V CA 0.434 62.629 62.300 -0.175 0.000 1.083 1061 V CB 0.237 31.994 31.823 -0.110 0.000 0.911 1061 V HN 0.443 nan 8.190 nan 0.000 0.433 1062 K N 0.119 120.356 120.400 -0.273 0.000 2.370 1062 K HA 0.165 4.486 4.320 0.000 0.000 0.194 1062 K C 1.372 177.846 176.600 -0.210 0.000 1.070 1062 K CA 0.477 56.611 56.287 -0.256 0.000 0.998 1062 K CB 1.048 33.307 32.500 -0.402 0.000 0.911 1062 K HN 0.300 nan 8.250 nan 0.000 0.533 1063 V N 1.420 121.141 119.914 -0.321 0.000 3.647 1063 V HA 0.043 4.163 4.120 0.000 0.000 0.279 1063 V C 0.905 177.156 176.094 0.261 0.000 1.314 1063 V CA 0.583 62.843 62.300 -0.066 0.000 1.125 1063 V CB -0.143 31.549 31.823 -0.219 0.000 0.907 1063 V HN 0.182 nan 8.190 nan 0.000 0.434 1064 F N -0.264 119.620 119.950 -0.110 0.000 2.514 1064 F HA 0.194 4.721 4.527 0.000 0.000 0.281 1064 F C 2.203 177.979 175.800 -0.040 0.000 1.060 1064 F CA 0.428 58.402 58.000 -0.044 0.000 1.397 1064 F CB -0.463 38.526 39.000 -0.017 0.000 1.129 1064 F HN -0.071 nan 8.300 nan 0.000 0.620 1065 S N 0.779 116.565 115.700 0.143 0.000 2.881 1065 S HA 0.099 4.569 4.470 0.000 0.000 0.228 1065 S C 1.479 176.086 174.600 0.013 0.000 0.965 1065 S CA 0.293 58.528 58.200 0.059 0.000 0.998 1065 S CB -0.518 62.705 63.200 0.038 0.000 0.795 1065 S HN 0.329 nan 8.310 nan 0.000 0.518 1066 L N -0.563 120.660 121.223 -0.001 0.000 3.066 1066 L HA 0.460 4.800 4.340 0.000 0.000 0.272 1066 L C 0.878 177.703 176.870 -0.075 0.000 1.101 1066 L CA 0.162 54.956 54.840 -0.077 0.000 1.022 1066 L CB 0.058 42.048 42.059 -0.114 0.000 1.600 1066 L HN 0.176 nan 8.230 nan 0.000 0.559 1067 A N 0.333 123.115 122.820 -0.064 0.000 3.197 1067 A HA 0.421 4.741 4.320 0.000 0.000 0.263 1067 A C 0.934 178.424 177.584 -0.156 0.000 1.524 1067 A CA 0.443 52.414 52.037 -0.111 0.000 1.176 1067 A CB -0.654 18.249 19.000 -0.162 0.000 1.096 1067 A HN 0.313 nan 8.150 nan 0.000 0.655 1068 V N -3.509 116.346 119.914 -0.098 0.000 3.612 1068 V HA 0.195 4.315 4.120 0.000 0.000 0.268 1068 V C 1.007 177.057 176.094 -0.072 0.000 1.365 1068 V CA 1.101 63.343 62.300 -0.095 0.000 1.044 1068 V CB -0.652 31.140 31.823 -0.051 0.000 0.820 1068 V HN 0.576 nan 8.190 nan 0.000 0.444 1069 N N 0.035 118.709 118.700 -0.044 0.000 2.336 1069 N HA 0.354 5.094 4.740 0.000 0.000 0.189 1069 N C 1.259 176.750 175.510 -0.031 0.000 1.113 1069 N CA 0.348 53.383 53.050 -0.024 0.000 0.858 1069 N CB 0.312 38.807 38.487 0.014 0.000 0.970 1069 N HN 0.486 nan 8.380 nan 0.000 0.471 1070 L N -0.179 121.009 121.223 -0.057 0.000 2.515 1070 L HA 0.385 4.725 4.340 0.000 0.000 0.202 1070 L C 0.718 177.526 176.870 -0.103 0.000 1.056 1070 L CA 0.253 55.058 54.840 -0.057 0.000 0.847 1070 L CB 0.056 42.093 42.059 -0.036 0.000 1.131 1070 L HN 0.048 nan 8.230 nan 0.000 0.484 1071 I N -3.077 117.392 120.570 -0.168 0.000 3.264 1071 I HA 0.759 4.929 4.170 0.000 0.000 0.315 1071 I C -0.525 175.411 176.117 -0.301 0.000 1.154 1071 I CA -1.249 59.910 61.300 -0.235 0.000 0.962 1071 I CB 1.942 39.752 38.000 -0.318 0.000 1.265 1071 I HN -0.176 nan 8.210 nan 0.000 0.463 1072 A N 3.911 126.532 122.820 -0.332 0.000 2.410 1072 A HA 0.576 4.896 4.320 0.000 0.000 0.292 1072 A C -0.262 176.992 177.584 -0.549 0.000 1.232 1072 A CA -0.099 51.757 52.037 -0.301 0.000 0.893 1072 A CB -0.589 18.316 19.000 -0.159 0.000 1.131 1072 A HN 0.492 nan 8.150 nan 0.000 0.530 1073 I N 1.974 122.335 120.570 -0.348 0.000 2.530 1073 I HA 0.281 4.451 4.170 0.000 0.000 0.297 1073 I C -0.537 175.606 176.117 0.044 0.000 1.011 1073 I CA -0.669 60.490 61.300 -0.234 0.000 1.107 1073 I CB 1.886 39.766 38.000 -0.200 0.000 1.285 1073 I HN 0.499 nan 8.210 nan 0.000 0.436 1074 D N 2.886 123.418 120.400 0.220 0.000 2.295 1074 D HA 0.099 4.739 4.640 0.000 0.000 0.248 1074 D C 0.660 177.039 176.300 0.132 0.000 1.154 1074 D CA 0.240 54.341 54.000 0.168 0.000 0.857 1074 D CB 1.258 42.173 40.800 0.192 0.000 1.117 1074 D HN 0.420 nan 8.370 nan 0.000 0.468 1075 S N 2.642 118.392 115.700 0.083 0.000 2.906 1075 S HA 0.003 4.473 4.470 0.000 0.000 0.234 1075 S C 0.779 175.416 174.600 0.063 0.000 0.973 1075 S CA 0.257 58.498 58.200 0.068 0.000 1.036 1075 S CB -0.147 63.080 63.200 0.045 0.000 0.798 1075 S HN 0.401 nan 8.310 nan 0.000 0.498 1076 Q N -0.747 119.097 119.800 0.073 0.000 2.254 1076 Q HA 0.233 4.573 4.340 0.000 0.000 0.259 1076 Q C 1.475 177.508 176.000 0.054 0.000 0.815 1076 Q CA 0.478 56.314 55.803 0.056 0.000 0.961 1076 Q CB 0.384 29.150 28.738 0.046 0.000 1.140 1076 Q HN 0.489 nan 8.270 nan 0.000 0.502 1077 V N 0.957 120.922 119.914 0.085 0.000 3.644 1077 V HA 0.011 4.131 4.120 0.000 0.000 0.267 1077 V C 1.828 177.960 176.094 0.064 0.000 1.277 1077 V CA 0.577 62.918 62.300 0.068 0.000 1.096 1077 V CB 0.100 31.987 31.823 0.106 0.000 0.828 1077 V HN 0.129 nan 8.190 nan 0.000 0.446 1078 L N -0.411 120.878 121.223 0.110 0.000 2.286 1078 L HA 0.180 4.521 4.340 0.000 0.000 0.203 1078 L C 1.736 178.638 176.870 0.053 0.000 1.068 1078 L CA 1.759 56.651 54.840 0.088 0.000 0.811 1078 L CB -0.113 42.035 42.059 0.148 0.000 0.989 1078 L HN 0.217 nan 8.230 nan 0.000 0.467 1079 c N 1.305 119.940 118.600 0.057 0.000 2.480 1079 c HA 0.555 5.125 4.570 0.000 0.000 0.317 1079 c C 1.604 175.725 174.090 0.050 0.000 1.300 1079 c CA 0.078 56.437 56.329 0.050 0.000 1.706 1079 c CB -1.628 40.909 42.510 0.046 0.000 1.840 1079 c HN 0.729 nan 8.230 nan 0.000 0.596 1080 G N -0.719 108.107 108.800 0.044 0.000 3.979 1080 G HA2 0.475 4.435 3.960 0.000 0.000 0.287 1080 G HA3 0.475 4.435 3.960 0.000 0.000 0.287 1080 G C 0.673 175.591 174.900 0.031 0.000 1.011 1080 G CA 0.801 45.925 45.100 0.040 0.000 0.818 1080 G HN 0.460 nan 8.290 nan 0.000 0.470 1081 A N -0.558 122.289 122.820 0.046 0.000 2.653 1081 A HA 0.532 4.852 4.320 0.000 0.000 0.248 1081 A C 1.180 178.871 177.584 0.177 0.000 1.211 1081 A CA 0.416 52.490 52.037 0.061 0.000 0.991 1081 A CB 0.543 19.500 19.000 -0.071 0.000 1.252 1081 A HN 0.205 nan 8.150 nan 0.000 0.593 1082 V N -0.355 119.641 119.914 0.138 0.000 3.621 1082 V HA 0.141 4.261 4.120 0.000 0.000 0.263 1082 V C 1.769 177.949 176.094 0.142 0.000 1.272 1082 V CA 1.380 63.760 62.300 0.134 0.000 1.080 1082 V CB 0.235 32.101 31.823 0.072 0.000 0.816 1082 V HN 0.497 nan 8.190 nan 0.000 0.451 1083 K N -1.173 119.315 120.400 0.148 0.000 2.404 1083 K HA -0.058 4.263 4.320 0.000 0.000 0.194 1083 K C 1.509 178.213 176.600 0.174 0.000 1.023 1083 K CA 0.168 56.530 56.287 0.125 0.000 1.094 1083 K CB 0.112 32.670 32.500 0.097 0.000 0.841 1083 K HN 0.576 nan 8.250 nan 0.000 0.523 1084 W N -0.063 121.253 121.300 0.026 0.000 2.808 1084 W HA 0.171 4.831 4.660 0.001 0.000 0.266 1084 W C 0.694 177.238 176.519 0.042 0.000 1.247 1084 W CA 0.046 57.406 57.345 0.026 0.000 1.440 1084 W CB 0.344 29.818 29.460 0.022 0.000 1.040 1084 W HN -0.087 nan 8.180 nan 0.000 0.606 1085 L N 0.326 121.600 121.223 0.086 0.000 2.209 1085 L HA -0.027 4.313 4.340 0.000 0.000 0.207 1085 L C 2.089 178.930 176.870 -0.048 0.000 1.094 1085 L CA 0.890 55.729 54.840 -0.001 0.000 0.790 1085 L CB -0.410 41.826 42.059 0.295 0.000 0.932 1085 L HN -0.059 nan 8.230 nan 0.000 0.447 1086 I N -0.505 120.066 120.570 0.003 0.000 2.584 1086 I HA -0.177 3.993 4.170 0.000 0.000 0.255 1086 I C 1.804 177.844 176.117 -0.128 0.000 1.145 1086 I CA 1.045 62.318 61.300 -0.045 0.000 1.462 1086 I CB 0.117 38.129 38.000 0.021 0.000 1.102 1086 I HN 0.206 nan 8.210 nan 0.000 0.433 1087 L N -0.665 120.481 121.223 -0.129 0.000 2.638 1087 L HA 0.182 4.522 4.340 0.000 0.000 0.232 1087 L C 1.806 178.547 176.870 -0.216 0.000 1.099 1087 L CA 0.250 55.012 54.840 -0.130 0.000 0.883 1087 L CB 0.033 42.062 42.059 -0.049 0.000 1.136 1087 L HN 0.150 nan 8.230 nan 0.000 0.492 1088 E N -0.058 119.907 120.200 -0.392 0.000 2.406 1088 E HA 0.123 4.474 4.350 0.000 0.000 0.204 1088 E C 0.381 176.659 176.600 -0.537 0.000 0.820 1088 E CA 0.262 56.351 56.400 -0.518 0.000 1.136 1088 E CB 0.787 29.931 29.700 -0.927 0.000 1.129 1088 E HN 0.080 nan 8.360 nan 0.000 0.530 1089 K N 1.593 121.622 120.400 -0.618 0.000 3.135 1089 K HA 0.271 4.591 4.320 0.000 0.000 0.210 1089 K C -0.357 175.899 176.600 -0.573 0.000 1.176 1089 K CA -0.062 55.932 56.287 -0.487 0.000 1.064 1089 K CB 1.089 33.324 32.500 -0.441 0.000 1.009 1089 K HN 0.066 nan 8.250 nan 0.000 0.472 1090 Q N 1.307 120.769 119.800 -0.563 0.000 2.290 1090 Q HA 0.263 4.603 4.340 0.000 0.000 0.269 1090 Q C -0.883 174.859 176.000 -0.430 0.000 1.016 1090 Q CA -0.457 54.920 55.803 -0.709 0.000 0.754 1090 Q CB 1.430 29.765 28.738 -0.671 0.000 1.247 1090 Q HN 0.046 nan 8.270 nan 0.000 0.451 1091 K N 3.293 123.454 120.400 -0.397 0.000 2.132 1091 K HA 0.170 4.490 4.320 0.000 0.000 0.240 1091 K C -1.839 174.632 176.600 -0.216 0.000 1.036 1091 K CA -1.554 54.576 56.287 -0.261 0.000 0.888 1091 K CB 0.330 32.687 32.500 -0.239 0.000 1.071 1091 K HN 0.414 nan 8.250 nan 0.000 0.502 1092 P HA -0.099 nan 4.420 nan 0.000 0.239 1092 P C -0.257 176.990 177.300 -0.087 0.000 1.184 1092 P CA 1.048 64.085 63.100 -0.107 0.000 0.760 1092 P CB 0.072 31.725 31.700 -0.079 0.000 0.884 1093 D N -3.037 117.291 120.400 -0.120 0.000 2.469 1093 D HA 0.163 4.803 4.640 0.000 0.000 0.213 1093 D C 1.317 177.581 176.300 -0.060 0.000 1.135 1093 D CA 0.191 54.146 54.000 -0.075 0.000 0.834 1093 D CB -0.463 40.277 40.800 -0.099 0.000 1.009 1093 D HN 0.104 nan 8.370 nan 0.000 0.507 1094 G N 0.047 108.780 108.800 -0.112 0.000 2.175 1094 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 1094 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 1094 G C 0.103 175.021 174.900 0.030 0.000 0.982 1094 G CA 0.177 45.264 45.100 -0.021 0.000 0.641 1094 G HN 0.366 nan 8.290 nan 0.000 0.527 1095 V N 0.906 120.705 119.914 -0.192 0.000 2.649 1095 V HA 0.611 4.731 4.120 0.000 0.000 0.292 1095 V C 0.413 176.441 176.094 -0.111 0.000 1.055 1095 V CA -0.150 62.063 62.300 -0.145 0.000 1.023 1095 V CB 1.068 32.589 31.823 -0.502 0.000 0.992 1095 V HN 0.213 nan 8.190 nan 0.000 0.480 1096 F N 2.834 122.731 119.950 -0.088 0.000 2.436 1096 F HA 0.496 5.023 4.527 0.000 0.000 0.340 1096 F C 0.413 176.193 175.800 -0.034 0.000 1.113 1096 F CA -0.274 57.695 58.000 -0.052 0.000 1.022 1096 F CB 1.481 40.479 39.000 -0.002 0.000 1.128 1096 F HN 0.428 nan 8.300 nan 0.000 0.466 1097 Q N 1.690 121.520 119.800 0.050 0.000 2.215 1097 Q HA 0.328 4.668 4.340 0.000 0.000 0.256 1097 Q C -1.182 174.865 176.000 0.078 0.000 0.972 1097 Q CA -0.949 54.871 55.803 0.028 0.000 0.889 1097 Q CB 1.895 30.605 28.738 -0.047 0.000 1.281 1097 Q HN 0.593 nan 8.270 nan 0.000 0.456 1098 E N 1.365 121.611 120.200 0.076 0.000 2.145 1098 E HA 0.139 4.489 4.350 0.000 0.000 0.262 1098 E C -0.919 175.725 176.600 0.073 0.000 0.883 1098 E CA -0.270 56.191 56.400 0.102 0.000 0.748 1098 E CB 0.827 30.590 29.700 0.106 0.000 1.140 1098 E HN 0.535 nan 8.360 nan 0.000 0.417 1099 D N 3.530 123.982 120.400 0.088 0.000 2.146 1099 D HA 0.071 4.712 4.640 0.000 0.000 0.209 1099 D C 0.110 176.458 176.300 0.080 0.000 0.973 1099 D CA 0.909 54.953 54.000 0.073 0.000 0.860 1099 D CB 0.016 40.868 40.800 0.086 0.000 1.015 1099 D HN 0.393 nan 8.370 nan 0.000 0.465 1100 A N 1.657 124.546 122.820 0.114 0.000 2.508 1100 A HA 0.518 4.838 4.320 0.000 0.000 0.336 1100 A C -2.526 175.122 177.584 0.106 0.000 1.360 1100 A CA -1.375 50.724 52.037 0.102 0.000 0.841 1100 A CB 0.596 19.668 19.000 0.119 0.000 1.136 1100 A HN -0.110 nan 8.150 nan 0.000 0.489 1101 P HA 0.081 nan 4.420 nan 0.000 0.269 1101 P C 0.257 177.581 177.300 0.039 0.000 1.205 1101 P CA 0.177 63.294 63.100 0.028 0.000 0.780 1101 P CB 0.384 32.074 31.700 -0.016 0.000 0.858 1102 V N 0.596 120.503 119.914 -0.012 0.000 2.583 1102 V HA 0.157 4.277 4.120 0.000 0.000 0.287 1102 V C 1.623 177.709 176.094 -0.014 0.000 1.051 1102 V CA -0.108 62.199 62.300 0.012 0.000 1.010 1102 V CB 0.077 31.877 31.823 -0.040 0.000 0.988 1102 V HN 0.447 nan 8.190 nan 0.000 0.478 1103 I N 1.650 122.259 120.570 0.064 0.000 2.179 1103 I HA -0.112 4.058 4.170 0.000 0.000 0.242 1103 I C 1.297 177.402 176.117 -0.019 0.000 1.088 1103 I CA 1.209 62.543 61.300 0.057 0.000 1.357 1103 I CB -0.373 37.722 38.000 0.158 0.000 1.051 1103 I HN 0.715 nan 8.210 nan 0.000 0.409 1104 H N 3.182 122.213 119.070 -0.065 0.000 3.015 1104 H HA 0.120 4.676 4.556 0.000 0.000 0.268 1104 H C 0.406 175.614 175.328 -0.201 0.000 1.113 1104 H CA 0.094 56.079 56.048 -0.105 0.000 1.479 1104 H CB 0.975 30.676 29.762 -0.103 0.000 1.493 1104 H HN 0.316 nan 8.280 nan 0.000 0.486 1105 Q N 2.188 121.910 119.800 -0.129 0.000 2.247 1105 Q HA -0.036 4.305 4.340 0.000 0.000 0.204 1105 Q C 1.372 177.232 176.000 -0.234 0.000 0.872 1105 Q CA 0.109 55.779 55.803 -0.222 0.000 0.951 1105 Q CB 0.708 29.342 28.738 -0.174 0.000 1.099 1105 Q HN 0.752 nan 8.270 nan 0.000 0.501 1106 E N 0.142 120.217 120.200 -0.207 0.000 2.340 1106 E HA -0.099 4.251 4.350 0.000 0.000 0.194 1106 E C 1.812 178.292 176.600 -0.200 0.000 0.996 1106 E CA 0.343 56.619 56.400 -0.207 0.000 0.869 1106 E CB -0.292 29.188 29.700 -0.366 0.000 0.835 1106 E HN 0.396 nan 8.360 nan 0.000 0.493 1107 M N 1.227 120.688 119.600 -0.232 0.000 2.254 1107 M HA 0.062 4.543 4.480 0.000 0.000 0.265 1107 M C 2.348 178.509 176.300 -0.231 0.000 1.066 1107 M CA 1.244 56.439 55.300 -0.174 0.000 1.123 1107 M CB -0.872 31.652 32.600 -0.126 0.000 1.388 1107 M HN 0.079 nan 8.290 nan 0.000 0.425 1108 I N -0.813 119.385 120.570 -0.619 0.000 2.623 1108 I HA 0.072 4.242 4.170 0.000 0.000 0.261 1108 I C 1.579 177.570 176.117 -0.211 0.000 1.204 1108 I CA 0.764 61.590 61.300 -0.789 0.000 1.444 1108 I CB -1.581 35.651 38.000 -1.280 0.000 1.094 1108 I HN 0.615 nan 8.210 nan 0.000 0.451 1109 G N 1.439 110.161 108.800 -0.130 0.000 2.652 1109 G HA2 -0.308 3.652 3.960 0.000 0.000 0.278 1109 G HA3 -0.308 3.652 3.960 0.000 0.000 0.278 1109 G C 0.744 175.439 174.900 -0.341 0.000 1.263 1109 G CA 0.128 45.243 45.100 0.024 0.000 0.966 1109 G HN 0.756 nan 8.290 nan 0.000 0.544 1110 G N -0.643 107.924 108.800 -0.388 0.000 3.393 1110 G HA2 0.501 4.462 3.960 0.000 0.000 0.255 1110 G HA3 0.501 4.462 3.960 0.000 0.000 0.255 1110 G C 1.181 175.616 174.900 -0.775 0.000 1.097 1110 G CA 0.963 45.379 45.100 -1.140 0.000 0.780 1110 G HN 0.530 nan 8.290 nan 0.000 0.540 1111 L N -0.264 120.771 121.223 -0.312 0.000 2.416 1111 L HA 0.344 4.684 4.340 0.000 0.000 0.216 1111 L C 2.488 179.208 176.870 -0.250 0.000 1.098 1111 L CA 0.391 55.138 54.840 -0.156 0.000 0.840 1111 L CB -0.404 41.612 42.059 -0.071 0.000 0.981 1111 L HN 0.127 nan 8.230 nan 0.000 0.462 1112 R N 0.316 120.599 120.500 -0.362 0.000 2.204 1112 R HA -0.208 4.132 4.340 0.000 0.000 0.253 1112 R C 0.570 176.741 176.300 -0.215 0.000 1.172 1112 R CA 0.854 56.776 56.100 -0.296 0.000 0.994 1112 R CB -0.269 29.848 30.300 -0.305 0.000 0.874 1112 R HN 0.265 nan 8.270 nan 0.000 0.462 1113 N N 1.213 119.764 118.700 -0.249 0.000 2.406 1113 N HA -0.036 4.704 4.740 0.000 0.000 0.274 1113 N C -0.365 175.094 175.510 -0.086 0.000 1.249 1113 N CA 0.340 53.304 53.050 -0.145 0.000 0.951 1113 N CB 0.171 38.563 38.487 -0.159 0.000 1.241 1113 N HN 0.192 nan 8.380 nan 0.000 0.485 1114 N N 1.762 120.426 118.700 -0.059 0.000 2.586 1114 N HA -0.190 4.550 4.740 0.000 0.000 0.191 1114 N C -0.247 175.258 175.510 -0.008 0.000 1.085 1114 N CA 0.361 53.392 53.050 -0.033 0.000 0.921 1114 N CB -0.171 38.301 38.487 -0.024 0.000 0.954 1114 N HN 0.470 nan 8.380 nan 0.000 0.448 1115 N N 1.952 120.648 118.700 -0.007 0.000 2.427 1115 N HA -0.037 4.703 4.740 0.000 0.000 0.269 1115 N C -0.864 174.668 175.510 0.036 0.000 1.235 1115 N CA 0.370 53.429 53.050 0.015 0.000 0.934 1115 N CB -0.058 38.438 38.487 0.015 0.000 1.121 1115 N HN 0.119 nan 8.380 nan 0.000 0.480 1116 E N 0.712 120.940 120.200 0.047 0.000 2.287 1116 E HA -0.284 4.067 4.350 0.000 0.000 0.229 1116 E C -0.411 176.237 176.600 0.081 0.000 1.194 1116 E CA 0.443 56.886 56.400 0.071 0.000 0.704 1116 E CB -1.126 28.619 29.700 0.075 0.000 1.216 1116 E HN 0.746 nan 8.360 nan 0.000 0.381 1117 K N 0.220 120.658 120.400 0.063 0.000 2.665 1117 K HA 0.021 4.341 4.320 0.000 0.000 0.214 1117 K C -0.048 176.604 176.600 0.086 0.000 1.032 1117 K CA 0.335 56.659 56.287 0.061 0.000 1.198 1117 K CB 0.406 32.923 32.500 0.028 0.000 0.941 1117 K HN 0.060 nan 8.250 nan 0.000 0.491 1118 D N 0.221 120.690 120.400 0.115 0.000 2.602 1118 D HA 0.091 4.731 4.640 0.000 0.000 0.265 1118 D C 0.488 176.925 176.300 0.229 0.000 1.454 1118 D CA -0.087 53.998 54.000 0.142 0.000 0.795 1118 D CB 0.624 41.479 40.800 0.092 0.000 1.140 1118 D HN 0.212 nan 8.370 nan 0.000 0.486 1119 M N -0.343 119.371 119.600 0.191 0.000 2.329 1119 M HA 0.297 4.778 4.480 0.000 0.000 0.281 1119 M C 1.561 177.934 176.300 0.122 0.000 1.088 1119 M CA 0.332 55.740 55.300 0.180 0.000 1.108 1119 M CB 0.553 33.233 32.600 0.133 0.000 1.657 1119 M HN 0.028 nan 8.290 nan 0.000 0.579 1120 A N -0.222 122.672 122.820 0.124 0.000 2.252 1120 A HA 0.218 4.538 4.320 0.000 0.000 0.213 1120 A C 1.711 179.378 177.584 0.139 0.000 1.188 1120 A CA 0.323 52.433 52.037 0.123 0.000 0.863 1120 A CB 0.037 19.155 19.000 0.198 0.000 0.893 1120 A HN 0.319 nan 8.150 nan 0.000 0.495 1121 L N -1.746 119.563 121.223 0.142 0.000 2.609 1121 L HA 0.272 4.612 4.340 0.000 0.000 0.230 1121 L C 1.386 178.348 176.870 0.153 0.000 1.087 1121 L CA 1.892 56.830 54.840 0.163 0.000 0.874 1121 L CB -0.065 42.087 42.059 0.155 0.000 1.114 1121 L HN 0.105 nan 8.230 nan 0.000 0.488 1122 T N -0.534 114.110 114.554 0.150 0.000 3.086 1122 T HA 0.307 4.657 4.350 0.000 0.000 0.250 1122 T C 1.421 176.145 174.700 0.040 0.000 1.074 1122 T CA 0.660 62.844 62.100 0.141 0.000 0.988 1122 T CB 0.303 69.324 68.868 0.255 0.000 0.988 1122 T HN 0.369 nan 8.240 nan 0.000 0.530 1123 A N -0.410 122.433 122.820 0.039 0.000 2.229 1123 A HA 0.445 4.765 4.320 0.000 0.000 0.211 1123 A C 1.482 179.037 177.584 -0.049 0.000 1.193 1123 A CA -0.204 51.819 52.037 -0.024 0.000 0.879 1123 A CB -0.318 18.662 19.000 -0.033 0.000 0.911 1123 A HN 0.443 nan 8.150 nan 0.000 0.492 1124 F N 0.327 120.195 119.950 -0.137 0.000 2.220 1124 F HA 0.012 4.540 4.527 0.000 0.000 0.290 1124 F C 1.837 177.545 175.800 -0.154 0.000 1.080 1124 F CA 1.525 59.463 58.000 -0.104 0.000 1.318 1124 F CB 0.326 39.322 39.000 -0.007 0.000 1.063 1124 F HN -0.020 nan 8.300 nan 0.000 0.498 1125 V N 0.936 120.792 119.914 -0.096 0.000 3.141 1125 V HA -0.177 3.943 4.120 0.000 0.000 0.265 1125 V C 1.905 177.717 176.094 -0.469 0.000 1.126 1125 V CA 1.024 63.112 62.300 -0.352 0.000 1.141 1125 V CB -0.554 30.892 31.823 -0.628 0.000 0.743 1125 V HN 0.365 nan 8.190 nan 0.000 0.492 1126 L N -0.334 120.654 121.223 -0.392 0.000 2.554 1126 L HA 0.236 4.576 4.340 0.000 0.000 0.226 1126 L C 1.578 178.318 176.870 -0.216 0.000 1.137 1126 L CA 1.607 56.275 54.840 -0.286 0.000 0.863 1126 L CB -0.238 41.701 42.059 -0.199 0.000 0.985 1126 L HN 0.271 nan 8.230 nan 0.000 0.451 1127 I N -2.252 118.182 120.570 -0.227 0.000 4.154 1127 I HA 0.128 4.298 4.170 0.000 0.000 0.334 1127 I C 1.348 177.365 176.117 -0.167 0.000 1.371 1127 I CA 0.154 61.352 61.300 -0.170 0.000 1.110 1127 I CB 0.174 38.129 38.000 -0.075 0.000 1.085 1127 I HN -0.024 nan 8.210 nan 0.000 0.398 1128 S N 0.829 116.393 115.700 -0.226 0.000 2.556 1128 S HA 0.323 4.793 4.470 0.000 0.000 0.216 1128 S C 1.375 175.906 174.600 -0.115 0.000 0.970 1128 S CA 0.329 58.415 58.200 -0.191 0.000 0.912 1128 S CB 0.306 63.358 63.200 -0.246 0.000 0.790 1128 S HN 0.336 nan 8.310 nan 0.000 0.504 1129 L N -0.235 120.923 121.223 -0.108 0.000 3.086 1129 L HA 0.335 4.676 4.340 0.000 0.000 0.274 1129 L C 1.413 178.252 176.870 -0.052 0.000 1.184 1129 L CA 0.099 54.904 54.840 -0.059 0.000 1.002 1129 L CB 0.020 42.056 42.059 -0.038 0.000 1.383 1129 L HN 0.097 nan 8.230 nan 0.000 0.582 1130 Q N 0.839 120.593 119.800 -0.077 0.000 2.319 1130 Q HA -0.029 4.311 4.340 0.000 0.000 0.202 1130 Q C 1.468 177.437 176.000 -0.052 0.000 0.896 1130 Q CA 0.445 56.204 55.803 -0.072 0.000 0.942 1130 Q CB 0.603 29.272 28.738 -0.114 0.000 1.083 1130 Q HN 0.602 nan 8.270 nan 0.000 0.510 1131 E N -0.492 119.683 120.200 -0.042 0.000 2.307 1131 E HA 0.077 4.427 4.350 0.000 0.000 0.195 1131 E C 1.358 177.954 176.600 -0.006 0.000 0.975 1131 E CA 0.639 57.030 56.400 -0.016 0.000 0.878 1131 E CB 0.124 29.820 29.700 -0.008 0.000 0.845 1131 E HN 0.132 nan 8.360 nan 0.000 0.488 1132 A N 1.369 124.184 122.820 -0.008 0.000 2.275 1132 A HA 0.117 4.438 4.320 0.000 0.000 0.212 1132 A C 1.917 179.505 177.584 0.007 0.000 1.201 1132 A CA 0.197 52.238 52.037 0.007 0.000 0.843 1132 A CB -0.274 18.733 19.000 0.011 0.000 0.873 1132 A HN 0.146 nan 8.150 nan 0.000 0.492 1133 K N 0.315 120.714 120.400 -0.002 0.000 2.057 1133 K HA -0.190 4.130 4.320 0.000 0.000 0.207 1133 K C 0.857 177.458 176.600 0.002 0.000 1.049 1133 K CA 1.969 58.254 56.287 -0.003 0.000 0.931 1133 K CB -0.034 32.458 32.500 -0.013 0.000 0.714 1133 K HN 0.335 nan 8.250 nan 0.000 0.440 1134 D N 0.289 120.691 120.400 0.002 0.000 2.213 1134 D HA -0.039 4.601 4.640 0.000 0.000 0.205 1134 D C 1.820 178.124 176.300 0.007 0.000 0.961 1134 D CA 0.741 54.743 54.000 0.004 0.000 0.853 1134 D CB -0.063 40.739 40.800 0.003 0.000 0.967 1134 D HN 0.232 nan 8.370 nan 0.000 0.496 1135 I N 0.519 121.095 120.570 0.010 0.000 2.143 1135 I HA -0.291 3.879 4.170 0.000 0.000 0.245 1135 I C 0.916 177.042 176.117 0.016 0.000 1.068 1135 I CA 1.060 62.368 61.300 0.014 0.000 1.326 1135 I CB -0.266 37.747 38.000 0.022 0.000 1.028 1135 I HN 0.121 nan 8.210 nan 0.000 0.412 1136 c N -0.550 118.061 118.600 0.018 0.000 3.465 1136 c HA 0.337 4.907 4.570 0.000 0.000 0.193 1136 c C 1.100 175.200 174.090 0.016 0.000 1.515 1136 c CA -0.973 55.368 56.329 0.019 0.000 1.340 1136 c CB -0.701 41.826 42.510 0.027 0.000 1.928 1136 c HN 0.334 nan 8.230 nan 0.000 0.510 1137 E N 0.785 120.992 120.200 0.012 0.000 2.516 1137 E HA -0.121 4.230 4.350 0.000 0.000 0.199 1137 E C 1.537 178.143 176.600 0.010 0.000 1.069 1137 E CA 0.829 57.235 56.400 0.009 0.000 0.876 1137 E CB 0.397 30.101 29.700 0.005 0.000 0.843 1137 E HN 0.841 nan 8.360 nan 0.000 0.530 1138 E N -0.695 119.512 120.200 0.012 0.000 2.485 1138 E HA -0.009 4.341 4.350 0.000 0.000 0.213 1138 E C 1.465 178.075 176.600 0.015 0.000 0.923 1138 E CA -0.019 56.388 56.400 0.012 0.000 1.054 1138 E CB 0.465 30.172 29.700 0.010 0.000 1.077 1138 E HN -0.047 nan 8.360 nan 0.000 0.509 1139 Q N -0.386 119.426 119.800 0.019 0.000 2.389 1139 Q HA 0.137 4.478 4.340 0.000 0.000 0.204 1139 Q C -0.559 175.457 176.000 0.027 0.000 0.944 1139 Q CA 0.439 56.256 55.803 0.024 0.000 0.908 1139 Q CB 1.143 29.898 28.738 0.028 0.000 1.002 1139 Q HN -0.031 nan 8.270 nan 0.000 0.493 1140 V N 1.881 121.810 119.914 0.025 0.000 2.409 1140 V HA 0.090 4.211 4.120 0.000 0.000 0.290 1140 V C -0.118 175.988 176.094 0.021 0.000 1.017 1140 V CA -0.636 61.680 62.300 0.028 0.000 0.841 1140 V CB 1.475 33.319 31.823 0.035 0.000 1.003 1140 V HN 0.399 nan 8.190 nan 0.000 0.426 1141 N N 3.354 122.065 118.700 0.019 0.000 2.069 1141 N HA -0.210 4.530 4.740 0.000 0.000 0.191 1141 N C 1.710 177.228 175.510 0.013 0.000 1.031 1141 N CA 1.683 54.741 53.050 0.014 0.000 0.852 1141 N CB -0.411 38.083 38.487 0.012 0.000 1.018 1141 N HN 0.679 nan 8.380 nan 0.000 0.423 1142 S N -0.595 115.116 115.700 0.018 0.000 2.603 1142 S HA 0.071 4.541 4.470 0.000 0.000 0.229 1142 S C 1.557 176.169 174.600 0.020 0.000 0.972 1142 S CA -0.035 58.174 58.200 0.015 0.000 0.935 1142 S CB -0.485 62.725 63.200 0.016 0.000 0.769 1142 S HN 0.297 nan 8.310 nan 0.000 0.536 1143 L N 2.599 123.835 121.223 0.022 0.000 1.993 1143 L HA 0.217 4.557 4.340 0.000 0.000 0.206 1143 L C -1.149 175.732 176.870 0.018 0.000 1.074 1143 L CA 1.397 56.252 54.840 0.024 0.000 0.746 1143 L CB -1.383 40.688 42.059 0.019 0.000 0.896 1143 L HN 0.067 nan 8.230 nan 0.000 0.435 1144 P HA -0.147 nan 4.420 nan 0.000 0.218 1144 P C 1.322 178.625 177.300 0.006 0.000 1.146 1144 P CA 1.879 64.982 63.100 0.005 0.000 0.820 1144 P CB -0.335 31.366 31.700 0.002 0.000 0.778 1145 G N -1.795 107.010 108.800 0.007 0.000 2.510 1145 G HA2 -0.110 3.850 3.960 0.000 0.000 0.212 1145 G HA3 -0.110 3.850 3.960 0.000 0.000 0.212 1145 G C 1.731 176.639 174.900 0.014 0.000 1.151 1145 G CA 0.553 45.656 45.100 0.006 0.000 0.817 1145 G HN 0.250 nan 8.290 nan 0.000 0.534 1146 S N 0.021 115.737 115.700 0.026 0.000 2.402 1146 S HA 0.037 4.507 4.470 0.000 0.000 0.229 1146 S C 2.334 176.986 174.600 0.088 0.000 1.021 1146 S CA 0.455 58.690 58.200 0.058 0.000 0.974 1146 S CB -0.235 63.018 63.200 0.088 0.000 0.800 1146 S HN 0.335 nan 8.310 nan 0.000 0.484 1147 I N 0.904 121.506 120.570 0.053 0.000 2.142 1147 I HA -0.164 4.006 4.170 0.000 0.000 0.240 1147 I C 2.490 178.622 176.117 0.025 0.000 1.078 1147 I CA 1.509 62.827 61.300 0.031 0.000 1.343 1147 I CB -0.929 37.072 38.000 0.002 0.000 1.046 1147 I HN 0.323 nan 8.210 nan 0.000 0.405 1148 T N 0.603 115.168 114.554 0.018 0.000 2.777 1148 T HA -0.133 4.217 4.350 0.000 0.000 0.266 1148 T C 1.897 176.618 174.700 0.036 0.000 1.040 1148 T CA 0.919 63.028 62.100 0.014 0.000 1.141 1148 T CB -0.080 68.792 68.868 0.006 0.000 0.868 1148 T HN 0.095 nan 8.240 nan 0.000 0.444 1149 K N 1.901 122.326 120.400 0.043 0.000 1.981 1149 K HA -0.092 4.228 4.320 0.000 0.000 0.228 1149 K C 2.601 179.262 176.600 0.102 0.000 1.050 1149 K CA 1.866 58.187 56.287 0.055 0.000 1.001 1149 K CB -1.410 31.108 32.500 0.031 0.000 0.738 1149 K HN 0.346 nan 8.250 nan 0.000 0.447 1150 A N 0.456 123.362 122.820 0.142 0.000 1.971 1150 A HA -0.189 4.131 4.320 0.000 0.000 0.222 1150 A C 2.352 180.051 177.584 0.192 0.000 1.182 1150 A CA 2.603 54.767 52.037 0.212 0.000 0.649 1150 A CB -1.191 17.975 19.000 0.277 0.000 0.818 1150 A HN 0.506 nan 8.150 nan 0.000 0.458 1151 G N -1.463 107.401 108.800 0.107 0.000 2.744 1151 G HA2 0.050 4.010 3.960 0.000 0.000 0.211 1151 G HA3 0.050 4.010 3.960 0.000 0.000 0.211 1151 G C 0.781 175.711 174.900 0.050 0.000 1.143 1151 G CA 0.920 46.053 45.100 0.055 0.000 0.788 1151 G HN 0.540 nan 8.290 nan 0.000 0.534 1152 D N -0.048 120.405 120.400 0.088 0.000 2.338 1152 D HA 0.005 4.645 4.640 0.000 0.000 0.208 1152 D C 1.705 178.067 176.300 0.102 0.000 0.997 1152 D CA -0.134 53.907 54.000 0.069 0.000 0.880 1152 D CB -0.131 40.707 40.800 0.064 0.000 0.980 1152 D HN 0.359 nan 8.370 nan 0.000 0.509 1153 F N 1.742 121.706 119.950 0.024 0.000 2.293 1153 F HA 0.044 4.572 4.527 0.000 0.000 0.297 1153 F C 1.819 177.646 175.800 0.045 0.000 1.089 1153 F CA 0.839 58.858 58.000 0.032 0.000 1.377 1153 F CB -0.087 38.936 39.000 0.038 0.000 1.051 1153 F HN -0.197 nan 8.300 nan 0.000 0.511 1154 L N 0.229 121.420 121.223 -0.053 0.000 2.049 1154 L HA -0.111 4.229 4.340 0.000 0.000 0.203 1154 L C 2.485 179.307 176.870 -0.080 0.000 1.074 1154 L CA 1.712 56.480 54.840 -0.120 0.000 0.749 1154 L CB -1.017 41.091 42.059 0.081 0.000 0.907 1154 L HN 0.172 nan 8.230 nan 0.000 0.439 1155 E N 0.822 120.994 120.200 -0.047 0.000 2.209 1155 E HA -0.240 4.110 4.350 0.000 0.000 0.196 1155 E C 2.081 178.662 176.600 -0.032 0.000 0.993 1155 E CA 1.322 57.693 56.400 -0.049 0.000 0.819 1155 E CB 0.057 29.708 29.700 -0.082 0.000 0.745 1155 E HN 0.430 nan 8.360 nan 0.000 0.477 1156 A N 1.032 123.803 122.820 -0.082 0.000 1.872 1156 A HA -0.114 4.206 4.320 0.000 0.000 0.214 1156 A C 1.748 179.267 177.584 -0.109 0.000 1.187 1156 A CA 1.432 53.417 52.037 -0.086 0.000 0.614 1156 A CB -0.344 18.597 19.000 -0.098 0.000 0.826 1156 A HN 0.255 nan 8.150 nan 0.000 0.442 1157 N N -1.479 117.084 118.700 -0.229 0.000 2.370 1157 N HA 0.054 4.794 4.740 0.000 0.000 0.198 1157 N C 0.706 176.155 175.510 -0.102 0.000 1.156 1157 N CA 0.138 53.053 53.050 -0.225 0.000 0.839 1157 N CB -0.326 37.882 38.487 -0.466 0.000 0.989 1157 N HN 0.645 nan 8.380 nan 0.000 0.468 1158 Y N 0.957 121.178 120.300 -0.132 0.000 2.439 1158 Y HA 0.001 4.551 4.550 0.000 0.000 0.292 1158 Y C 1.584 177.467 175.900 -0.028 0.000 1.130 1158 Y CA 1.030 59.088 58.100 -0.070 0.000 1.254 1158 Y CB 0.258 38.680 38.460 -0.063 0.000 1.000 1158 Y HN -0.027 nan 8.280 nan 0.000 0.554 1159 M N -0.683 118.949 119.600 0.053 0.000 2.618 1159 M HA 0.028 4.508 4.480 0.000 0.000 0.240 1159 M C 0.036 176.310 176.300 -0.043 0.000 1.123 1159 M CA 0.754 56.064 55.300 0.016 0.000 1.060 1159 M CB -1.146 31.479 32.600 0.041 0.000 1.535 1159 M HN 0.334 nan 8.290 nan 0.000 0.507 1160 N N 0.646 119.301 118.700 -0.075 0.000 2.458 1160 N HA 0.361 5.102 4.740 0.000 0.000 0.274 1160 N C -0.756 174.707 175.510 -0.078 0.000 1.242 1160 N CA -0.110 52.901 53.050 -0.065 0.000 0.904 1160 N CB 1.010 39.461 38.487 -0.059 0.000 1.206 1160 N HN 0.207 nan 8.380 nan 0.000 0.510 1161 L N 0.495 121.648 121.223 -0.116 0.000 2.342 1161 L HA 0.372 4.712 4.340 0.000 0.000 0.271 1161 L C 0.495 177.330 176.870 -0.058 0.000 1.008 1161 L CA -0.596 54.182 54.840 -0.103 0.000 0.818 1161 L CB 2.184 44.127 42.059 -0.193 0.000 1.296 1161 L HN 0.049 nan 8.230 nan 0.000 0.427 1162 Q N 1.211 121.002 119.800 -0.015 0.000 2.619 1162 Q HA 0.246 4.586 4.340 0.000 0.000 0.195 1162 Q C 0.090 176.115 176.000 0.041 0.000 0.910 1162 Q CA 0.195 56.003 55.803 0.009 0.000 0.862 1162 Q CB 0.134 28.880 28.738 0.015 0.000 1.123 1162 Q HN 0.446 nan 8.270 nan 0.000 0.636 1163 R N 1.372 121.914 120.500 0.069 0.000 2.504 1163 R HA -0.040 4.300 4.340 0.000 0.000 0.302 1163 R C 1.211 177.612 176.300 0.170 0.000 0.893 1163 R CA 0.157 56.333 56.100 0.126 0.000 1.138 1163 R CB 0.026 30.422 30.300 0.161 0.000 0.880 1163 R HN 0.164 nan 8.270 nan 0.000 0.415 1164 S N 2.203 118.020 115.700 0.194 0.000 2.493 1164 S HA -0.184 4.286 4.470 0.000 0.000 0.243 1164 S C 1.138 175.960 174.600 0.371 0.000 0.991 1164 S CA 0.968 59.329 58.200 0.269 0.000 0.957 1164 S CB -0.140 63.193 63.200 0.222 0.000 0.756 1164 S HN 0.645 nan 8.310 nan 0.000 0.521 1165 Y N 1.328 121.748 120.300 0.200 0.000 2.476 1165 Y HA 0.057 4.607 4.550 0.000 0.000 0.283 1165 Y C 2.105 178.091 175.900 0.143 0.000 1.109 1165 Y CA 0.937 59.155 58.100 0.197 0.000 1.246 1165 Y CB 0.048 38.613 38.460 0.174 0.000 1.068 1165 Y HN 0.129 nan 8.280 nan 0.000 0.552 1166 T N -0.897 113.768 114.554 0.185 0.000 3.065 1166 T HA 0.023 4.373 4.350 0.000 0.000 0.252 1166 T C 1.698 176.413 174.700 0.025 0.000 1.099 1166 T CA 0.834 62.975 62.100 0.069 0.000 1.063 1166 T CB 0.062 68.992 68.868 0.103 0.000 0.948 1166 T HN 0.118 nan 8.240 nan 0.000 0.506 1167 V N 1.233 121.196 119.914 0.082 0.000 2.788 1167 V HA 0.121 4.241 4.120 0.000 0.000 0.251 1167 V C 2.538 178.871 176.094 0.398 0.000 1.068 1167 V CA 1.385 63.754 62.300 0.115 0.000 1.090 1167 V CB -0.462 31.470 31.823 0.181 0.000 0.710 1167 V HN 0.505 nan 8.190 nan 0.000 0.467 1168 A N -0.947 122.050 122.820 0.296 0.000 2.115 1168 A HA 0.178 4.498 4.320 0.000 0.000 0.211 1168 A C 2.034 179.654 177.584 0.060 0.000 1.169 1168 A CA 0.519 52.764 52.037 0.346 0.000 0.787 1168 A CB -0.114 18.915 19.000 0.048 0.000 0.858 1168 A HN 0.438 nan 8.150 nan 0.000 0.474 1169 I N -0.822 119.659 120.570 -0.149 0.000 2.480 1169 I HA -0.051 4.120 4.170 0.000 0.000 0.251 1169 I C 2.488 178.509 176.117 -0.160 0.000 1.124 1169 I CA 1.098 62.178 61.300 -0.367 0.000 1.444 1169 I CB 0.057 37.745 38.000 -0.519 0.000 1.098 1169 I HN 0.293 nan 8.210 nan 0.000 0.428 1170 A N 0.400 123.203 122.820 -0.029 0.000 1.929 1170 A HA -0.010 4.310 4.320 0.000 0.000 0.216 1170 A C 2.307 179.899 177.584 0.014 0.000 1.176 1170 A CA 1.241 53.306 52.037 0.047 0.000 0.628 1170 A CB -1.358 17.742 19.000 0.168 0.000 0.816 1170 A HN 0.481 nan 8.150 nan 0.000 0.444 1171 G N -1.592 107.219 108.800 0.018 0.000 2.469 1171 G HA2 -0.303 3.657 3.960 0.000 0.000 0.220 1171 G HA3 -0.303 3.657 3.960 0.000 0.000 0.220 1171 G C 1.456 176.135 174.900 -0.368 0.000 1.136 1171 G CA 1.491 46.359 45.100 -0.387 0.000 0.759 1171 G HN 0.601 nan 8.290 nan 0.000 0.562 1172 Y N 1.134 121.271 120.300 -0.271 0.000 2.478 1172 Y HA 0.538 5.089 4.550 0.000 0.000 0.261 1172 Y C 2.523 178.348 175.900 -0.126 0.000 1.127 1172 Y CA 0.079 58.080 58.100 -0.165 0.000 1.288 1172 Y CB 0.158 38.607 38.460 -0.017 0.000 1.084 1172 Y HN 0.209 nan 8.280 nan 0.000 0.530 1173 A N -0.315 122.408 122.820 -0.162 0.000 2.119 1173 A HA 0.011 4.331 4.320 0.000 0.000 0.217 1173 A C 1.902 179.351 177.584 -0.225 0.000 1.153 1173 A CA 1.222 53.140 52.037 -0.199 0.000 0.692 1173 A CB -0.471 18.460 19.000 -0.115 0.000 0.799 1173 A HN 0.524 nan 8.150 nan 0.000 0.458 1174 L N -1.774 119.306 121.223 -0.239 0.000 2.347 1174 L HA 0.140 4.480 4.340 0.000 0.000 0.196 1174 L C 2.577 179.292 176.870 -0.258 0.000 1.072 1174 L CA 0.738 55.439 54.840 -0.232 0.000 0.817 1174 L CB -0.300 41.600 42.059 -0.264 0.000 1.029 1174 L HN 0.291 nan 8.230 nan 0.000 0.478 1175 A N -0.474 122.171 122.820 -0.292 0.000 2.277 1175 A HA -0.143 4.177 4.320 0.000 0.000 0.208 1175 A C 1.584 179.036 177.584 -0.220 0.000 1.202 1175 A CA 0.815 52.710 52.037 -0.236 0.000 0.762 1175 A CB -0.505 18.381 19.000 -0.191 0.000 0.770 1175 A HN 0.509 nan 8.150 nan 0.000 0.487 1176 Q N -1.120 118.511 119.800 -0.280 0.000 2.222 1176 Q HA 0.323 4.663 4.340 0.000 0.000 0.206 1176 Q C 0.851 176.761 176.000 -0.150 0.000 0.877 1176 Q CA 0.098 55.763 55.803 -0.229 0.000 0.958 1176 Q CB 0.200 28.752 28.738 -0.310 0.000 1.075 1176 Q HN 0.813 nan 8.270 nan 0.000 0.483 1177 M N -2.788 116.729 119.600 -0.137 0.000 2.075 1177 M HA 0.267 4.747 4.480 0.000 0.000 0.358 1177 M C 0.609 176.857 176.300 -0.088 0.000 0.855 1177 M CA 0.341 55.580 55.300 -0.101 0.000 1.148 1177 M CB 1.542 34.082 32.600 -0.100 0.000 2.163 1177 M HN 0.111 nan 8.290 nan 0.000 0.734 1178 G N 2.720 111.458 108.800 -0.102 0.000 2.356 1178 G HA2 -0.192 3.769 3.960 0.000 0.000 0.233 1178 G HA3 -0.192 3.769 3.960 0.000 0.000 0.233 1178 G C 0.164 175.008 174.900 -0.094 0.000 1.105 1178 G CA -0.029 45.018 45.100 -0.089 0.000 0.861 1178 G HN 0.514 nan 8.290 nan 0.000 0.493 1179 R N -1.275 119.151 120.500 -0.124 0.000 2.541 1179 R HA 0.251 4.591 4.340 0.000 0.000 0.332 1179 R C 1.254 177.450 176.300 -0.173 0.000 0.951 1179 R CA -0.413 55.610 56.100 -0.127 0.000 1.136 1179 R CB 0.412 30.641 30.300 -0.119 0.000 1.449 1179 R HN 0.299 nan 8.270 nan 0.000 0.531 1180 L N 2.461 123.560 121.223 -0.208 0.000 2.930 1180 L HA 0.136 4.476 4.340 0.000 0.000 0.250 1180 L C -0.461 176.303 176.870 -0.176 0.000 1.320 1180 L CA 0.740 55.419 54.840 -0.268 0.000 1.163 1180 L CB -0.637 41.237 42.059 -0.308 0.000 1.542 1180 L HN -0.082 nan 8.230 nan 0.000 0.428 1181 K N -0.584 119.735 120.400 -0.135 0.000 2.118 1181 K HA 0.727 5.047 4.320 0.000 0.000 0.254 1181 K C 0.826 177.385 176.600 -0.069 0.000 0.961 1181 K CA -0.171 56.065 56.287 -0.086 0.000 0.876 1181 K CB 1.199 33.658 32.500 -0.067 0.000 1.077 1181 K HN 0.255 nan 8.250 nan 0.000 0.440 1182 G N 2.200 110.974 108.800 -0.043 0.000 2.523 1182 G HA2 -0.259 3.701 3.960 0.000 0.000 0.271 1182 G HA3 -0.259 3.701 3.960 0.000 0.000 0.271 1182 G C -1.669 173.225 174.900 -0.011 0.000 1.146 1182 G CA -0.077 45.008 45.100 -0.025 0.000 0.961 1182 G HN 0.548 nan 8.290 nan 0.000 0.549 1183 P HA 0.130 nan 4.420 nan 0.000 0.225 1183 P C 1.891 179.241 177.300 0.083 0.000 1.156 1183 P CA 1.132 64.257 63.100 0.041 0.000 0.787 1183 P CB -0.079 31.647 31.700 0.044 0.000 0.802 1184 L N -1.407 119.823 121.223 0.012 0.000 2.554 1184 L HA 0.026 4.366 4.340 0.000 0.000 0.226 1184 L C 2.221 179.045 176.870 -0.077 0.000 1.137 1184 L CA 0.886 55.676 54.840 -0.084 0.000 0.863 1184 L CB -1.227 40.557 42.059 -0.458 0.000 0.985 1184 L HN -0.037 nan 8.230 nan 0.000 0.451 1185 L N -0.736 120.481 121.223 -0.010 0.000 2.253 1185 L HA 0.110 4.450 4.340 0.000 0.000 0.205 1185 L C 1.933 178.867 176.870 0.105 0.000 1.078 1185 L CA 1.249 56.104 54.840 0.024 0.000 0.805 1185 L CB -0.386 41.659 42.059 -0.023 0.000 0.963 1185 L HN 0.226 nan 8.230 nan 0.000 0.459 1186 N N -0.368 118.383 118.700 0.085 0.000 2.424 1186 N HA -0.128 4.612 4.740 0.000 0.000 0.178 1186 N C 1.668 177.242 175.510 0.105 0.000 1.060 1186 N CA 0.715 53.803 53.050 0.064 0.000 0.901 1186 N CB -0.091 38.415 38.487 0.031 0.000 0.979 1186 N HN 0.334 nan 8.380 nan 0.000 0.451 1187 K N -1.083 119.432 120.400 0.191 0.000 2.400 1187 K HA -0.019 4.301 4.320 0.000 0.000 0.194 1187 K C 0.744 177.532 176.600 0.313 0.000 1.033 1187 K CA 0.330 56.742 56.287 0.208 0.000 1.021 1187 K CB -0.067 32.568 32.500 0.225 0.000 0.808 1187 K HN 0.206 nan 8.250 nan 0.000 0.505 1188 F N 0.580 120.677 119.950 0.244 0.000 2.746 1188 F HA 0.210 4.737 4.527 0.000 0.000 0.297 1188 F C 1.074 177.112 175.800 0.396 0.000 1.113 1188 F CA 0.074 58.289 58.000 0.358 0.000 1.367 1188 F CB 0.399 39.591 39.000 0.320 0.000 1.111 1188 F HN -0.107 nan 8.300 nan 0.000 0.590 1189 L N -0.385 120.898 121.223 0.099 0.000 2.463 1189 L HA 0.026 4.366 4.340 0.000 0.000 0.219 1189 L C 2.257 179.035 176.870 -0.153 0.000 1.088 1189 L CA 1.183 55.934 54.840 -0.149 0.000 0.849 1189 L CB -0.379 41.483 42.059 -0.328 0.000 1.012 1189 L HN 0.207 nan 8.230 nan 0.000 0.468 1190 T N -6.025 108.472 114.554 -0.094 0.000 3.044 1190 T HA -0.053 4.297 4.350 0.000 0.000 0.255 1190 T C 1.711 176.266 174.700 -0.242 0.000 1.073 1190 T CA 0.791 62.816 62.100 -0.125 0.000 1.125 1190 T CB -0.257 68.576 68.868 -0.059 0.000 0.908 1190 T HN 0.013 nan 8.240 nan 0.000 0.480 1191 T N 2.518 116.921 114.554 -0.251 0.000 2.929 1191 T HA 0.216 4.566 4.350 0.000 0.000 0.271 1191 T C 1.108 175.234 174.700 -0.957 0.000 1.085 1191 T CA 0.801 62.687 62.100 -0.357 0.000 1.125 1191 T CB -0.610 68.256 68.868 -0.004 0.000 0.874 1191 T HN 0.671 nan 8.240 nan 0.000 0.494 1192 A N 2.335 124.233 122.820 -1.536 0.000 2.475 1192 A HA 0.264 4.584 4.320 0.000 0.000 0.293 1192 A C 0.428 177.542 177.584 -0.784 0.000 1.252 1192 A CA -0.235 50.760 52.037 -1.737 0.000 0.920 1192 A CB -0.306 17.518 19.000 -1.959 0.000 1.125 1192 A HN 0.367 nan 8.150 nan 0.000 0.528 1193 K N 2.510 122.551 120.400 -0.597 0.000 2.447 1193 K HA 0.127 4.447 4.320 0.000 0.000 0.281 1193 K C -0.247 176.122 176.600 -0.384 0.000 1.031 1193 K CA 0.586 56.645 56.287 -0.380 0.000 1.019 1193 K CB 0.073 32.404 32.500 -0.283 0.000 0.918 1193 K HN 0.754 nan 8.250 nan 0.000 0.476 1194 D N 3.071 123.300 120.400 -0.284 0.000 2.880 1194 D HA -0.222 4.418 4.640 0.000 0.000 0.198 1194 D C -0.691 175.431 176.300 -0.296 0.000 1.059 1194 D CA 1.639 55.486 54.000 -0.255 0.000 1.019 1194 D CB -0.575 40.070 40.800 -0.258 0.000 1.112 1194 D HN 0.882 nan 8.370 nan 0.000 0.424 1195 K N -1.492 118.686 120.400 -0.369 0.000 3.167 1195 K HA -0.281 4.039 4.320 0.000 0.000 0.272 1195 K C 0.284 176.566 176.600 -0.531 0.000 1.137 1195 K CA 1.245 57.310 56.287 -0.370 0.000 0.800 1195 K CB -2.145 30.268 32.500 -0.145 0.000 1.253 1195 K HN 0.794 nan 8.250 nan 0.000 0.497 1196 N N -0.723 117.687 118.700 -0.482 0.000 2.036 1196 N HA 0.010 4.751 4.740 0.000 0.000 0.228 1196 N C -0.316 175.031 175.510 -0.271 0.000 1.368 1196 N CA -0.736 52.125 53.050 -0.314 0.000 0.846 1196 N CB 0.665 38.988 38.487 -0.274 0.000 1.145 1196 N HN 0.269 nan 8.380 nan 0.000 0.502 1197 R N -0.547 119.639 120.500 -0.523 0.000 2.626 1197 R HA 0.285 4.626 4.340 0.000 0.000 0.274 1197 R C -1.837 174.264 176.300 -0.331 0.000 1.031 1197 R CA -0.803 54.972 56.100 -0.541 0.000 0.898 1197 R CB 0.971 30.238 30.300 -1.721 0.000 1.222 1197 R HN 0.033 nan 8.270 nan 0.000 0.455 1198 W N 3.468 124.651 121.300 -0.195 0.000 2.282 1198 W HA 0.241 4.901 4.660 0.000 0.000 0.322 1198 W C -0.364 176.161 176.519 0.010 0.000 1.011 1198 W CA -0.296 57.003 57.345 -0.077 0.000 1.392 1198 W CB 1.595 31.046 29.460 -0.015 0.000 1.215 1198 W HN 0.733 nan 8.180 nan 0.000 0.394 1199 E N 1.564 121.808 120.200 0.073 0.000 2.256 1199 E HA 0.493 4.843 4.350 0.000 0.000 0.267 1199 E C -1.252 175.404 176.600 0.094 0.000 0.892 1199 E CA -0.784 55.678 56.400 0.103 0.000 0.775 1199 E CB 2.523 32.236 29.700 0.021 0.000 1.207 1199 E HN -0.006 nan 8.360 nan 0.000 0.420 1200 D N 1.985 122.461 120.400 0.127 0.000 2.527 1200 D HA 0.390 5.030 4.640 0.000 0.000 0.233 1200 D C -2.506 173.838 176.300 0.074 0.000 1.063 1200 D CA -1.872 52.188 54.000 0.099 0.000 0.880 1200 D CB 1.923 42.802 40.800 0.131 0.000 1.457 1200 D HN 0.288 nan 8.370 nan 0.000 0.475 1201 P HA 0.359 nan 4.420 nan 0.000 0.267 1201 P C 0.385 177.709 177.300 0.041 0.000 1.205 1201 P CA 0.353 63.474 63.100 0.036 0.000 0.765 1201 P CB 0.663 32.378 31.700 0.025 0.000 0.828 1202 G N 2.487 111.305 108.800 0.029 0.000 2.545 1202 G HA2 -0.144 3.816 3.960 0.000 0.000 0.211 1202 G HA3 -0.144 3.816 3.960 0.000 0.000 0.211 1202 G C -0.936 173.962 174.900 -0.004 0.000 1.167 1202 G CA -0.804 44.308 45.100 0.020 0.000 1.151 1202 G HN 0.542 nan 8.290 nan 0.000 0.581 1203 K N 0.967 121.353 120.400 -0.025 0.000 2.485 1203 K HA 0.187 4.508 4.320 0.000 0.000 0.277 1203 K C 1.280 177.777 176.600 -0.173 0.000 0.990 1203 K CA 0.465 56.647 56.287 -0.176 0.000 0.994 1203 K CB 0.883 33.131 32.500 -0.419 0.000 0.906 1203 K HN 0.619 nan 8.250 nan 0.000 0.488 1204 Q N 1.163 120.834 119.800 -0.214 0.000 2.204 1204 Q HA 0.033 4.373 4.340 0.000 0.000 0.198 1204 Q C 1.596 177.487 176.000 -0.182 0.000 0.946 1204 Q CA 0.645 56.370 55.803 -0.131 0.000 0.859 1204 Q CB 0.139 28.806 28.738 -0.119 0.000 0.946 1204 Q HN 0.509 nan 8.270 nan 0.000 0.474 1205 L N 0.514 121.523 121.223 -0.357 0.000 2.700 1205 L HA -0.093 4.247 4.340 0.000 0.000 0.240 1205 L C 0.551 177.424 176.870 0.005 0.000 1.162 1205 L CA 0.503 55.180 54.840 -0.271 0.000 0.874 1205 L CB -0.006 41.894 42.059 -0.266 0.000 1.001 1205 L HN 0.300 nan 8.230 nan 0.000 0.447 1206 Y N -2.275 118.031 120.300 0.011 0.000 2.500 1206 Y HA 0.184 4.734 4.550 0.000 0.000 0.246 1206 Y C 1.623 177.638 175.900 0.191 0.000 1.146 1206 Y CA -0.816 57.284 58.100 0.001 0.000 1.230 1206 Y CB -0.361 37.977 38.460 -0.204 0.000 1.214 1206 Y HN 0.155 nan 8.280 nan 0.000 0.526 1207 N N -0.672 118.206 118.700 0.296 0.000 2.482 1207 N HA 0.003 4.743 4.740 0.000 0.000 0.179 1207 N C 1.836 177.596 175.510 0.416 0.000 1.039 1207 N CA 0.620 53.885 53.050 0.358 0.000 0.884 1207 N CB -0.281 38.398 38.487 0.321 0.000 1.113 1207 N HN 0.083 nan 8.380 nan 0.000 0.440 1208 V N 1.895 121.959 119.914 0.251 0.000 2.358 1208 V HA -0.162 3.958 4.120 0.000 0.000 0.246 1208 V C 2.331 178.546 176.094 0.203 0.000 1.047 1208 V CA 1.657 64.044 62.300 0.146 0.000 1.035 1208 V CB -0.388 31.320 31.823 -0.193 0.000 0.658 1208 V HN 0.379 nan 8.190 nan 0.000 0.452 1209 E N 0.041 120.415 120.200 0.289 0.000 2.274 1209 E HA -0.132 4.218 4.350 0.000 0.000 0.194 1209 E C 2.103 178.977 176.600 0.456 0.000 0.996 1209 E CA 1.018 57.639 56.400 0.368 0.000 0.840 1209 E CB -0.090 29.968 29.700 0.597 0.000 0.772 1209 E HN 0.583 nan 8.360 nan 0.000 0.491 1210 A N 0.060 123.196 122.820 0.528 0.000 1.970 1210 A HA -0.052 4.269 4.320 0.000 0.000 0.216 1210 A C 2.244 179.993 177.584 0.276 0.000 1.170 1210 A CA 1.401 53.691 52.037 0.423 0.000 0.645 1210 A CB -0.430 18.899 19.000 0.549 0.000 0.816 1210 A HN 0.277 nan 8.150 nan 0.000 0.447 1211 T N -0.363 114.392 114.554 0.335 0.000 2.951 1211 T HA -0.030 4.320 4.350 0.000 0.000 0.268 1211 T C 2.140 176.909 174.700 0.116 0.000 1.073 1211 T CA 1.414 63.701 62.100 0.311 0.000 1.134 1211 T CB -0.074 69.126 68.868 0.554 0.000 0.884 1211 T HN 0.392 nan 8.240 nan 0.000 0.479 1212 S N 0.420 116.162 115.700 0.070 0.000 2.336 1212 S HA 0.012 4.482 4.470 0.000 0.000 0.216 1212 S C 1.691 176.204 174.600 -0.145 0.000 1.032 1212 S CA 0.624 58.782 58.200 -0.070 0.000 0.973 1212 S CB -0.447 62.664 63.200 -0.148 0.000 0.888 1212 S HN 0.460 nan 8.310 nan 0.000 0.455 1213 Y N 1.966 122.225 120.300 -0.069 0.000 2.384 1213 Y HA -0.098 4.452 4.550 0.000 0.000 0.289 1213 Y C 2.414 178.219 175.900 -0.159 0.000 1.152 1213 Y CA 0.470 58.490 58.100 -0.133 0.000 1.258 1213 Y CB -0.683 37.735 38.460 -0.070 0.000 0.979 1213 Y HN 0.289 nan 8.280 nan 0.000 0.549 1214 A N -0.861 121.894 122.820 -0.109 0.000 1.898 1214 A HA -0.073 4.247 4.320 0.000 0.000 0.214 1214 A C 2.089 179.519 177.584 -0.257 0.000 1.183 1214 A CA 1.080 52.869 52.037 -0.412 0.000 0.622 1214 A CB -0.817 17.292 19.000 -1.486 0.000 0.824 1214 A HN 0.377 nan 8.150 nan 0.000 0.444 1215 L N -0.159 120.965 121.223 -0.165 0.000 2.217 1215 L HA 0.034 4.374 4.340 0.000 0.000 0.211 1215 L C 2.126 178.953 176.870 -0.070 0.000 1.107 1215 L CA 1.060 55.874 54.840 -0.045 0.000 0.783 1215 L CB -0.355 41.715 42.059 0.018 0.000 0.919 1215 L HN 0.381 nan 8.230 nan 0.000 0.442 1216 L N -0.855 120.226 121.223 -0.237 0.000 2.013 1216 L HA -0.266 4.074 4.340 0.000 0.000 0.212 1216 L C 2.629 179.359 176.870 -0.233 0.000 1.073 1216 L CA 1.429 55.924 54.840 -0.576 0.000 0.753 1216 L CB -0.946 40.207 42.059 -1.511 0.000 0.890 1216 L HN 0.403 nan 8.230 nan 0.000 0.432 1217 A N 0.138 122.992 122.820 0.057 0.000 1.841 1217 A HA -0.163 4.157 4.320 0.000 0.000 0.214 1217 A C 2.185 179.834 177.584 0.109 0.000 1.195 1217 A CA 1.219 53.393 52.037 0.230 0.000 0.611 1217 A CB -0.882 18.171 19.000 0.089 0.000 0.835 1217 A HN 0.335 nan 8.150 nan 0.000 0.443 1218 L N -1.055 120.231 121.223 0.106 0.000 2.198 1218 L HA -0.294 4.046 4.340 0.000 0.000 0.218 1218 L C 2.306 179.149 176.870 -0.044 0.000 1.084 1218 L CA 1.536 56.417 54.840 0.068 0.000 0.779 1218 L CB -0.505 41.634 42.059 0.132 0.000 0.890 1218 L HN 0.428 nan 8.230 nan 0.000 0.439 1219 L N -2.353 118.885 121.223 0.025 0.000 2.467 1219 L HA -0.008 4.332 4.340 0.000 0.000 0.213 1219 L C 2.279 179.200 176.870 0.085 0.000 1.053 1219 L CA 0.016 54.891 54.840 0.058 0.000 0.847 1219 L CB -0.331 41.837 42.059 0.183 0.000 1.075 1219 L HN 0.055 nan 8.230 nan 0.000 0.479 1220 Q N 1.020 120.900 119.800 0.134 0.000 2.443 1220 Q HA -0.137 4.203 4.340 0.000 0.000 0.213 1220 Q C 1.749 177.783 176.000 0.056 0.000 0.982 1220 Q CA 1.647 57.541 55.803 0.151 0.000 0.894 1220 Q CB -0.182 28.729 28.738 0.287 0.000 0.947 1220 Q HN 0.516 nan 8.270 nan 0.000 0.480 1221 L N -0.985 120.237 121.223 -0.003 0.000 2.408 1221 L HA 0.145 4.485 4.340 0.000 0.000 0.215 1221 L C 0.299 177.107 176.870 -0.103 0.000 1.081 1221 L CA 0.629 55.433 54.840 -0.060 0.000 0.840 1221 L CB 0.162 42.173 42.059 -0.079 0.000 1.002 1221 L HN 0.150 nan 8.230 nan 0.000 0.468 1222 K N -0.426 119.849 120.400 -0.209 0.000 3.368 1222 K HA -0.152 4.168 4.320 0.000 0.000 0.287 1222 K C -0.445 175.747 176.600 -0.679 0.000 1.316 1222 K CA 0.465 56.631 56.287 -0.202 0.000 0.841 1222 K CB -1.606 30.954 32.500 0.099 0.000 1.492 1222 K HN 0.194 nan 8.250 nan 0.000 0.511 1223 D N -0.170 119.617 120.400 -1.021 0.000 2.256 1223 D HA 0.562 5.202 4.640 0.000 0.000 0.246 1223 D C -0.416 175.270 176.300 -1.024 0.000 1.042 1223 D CA -0.667 52.898 54.000 -0.725 0.000 0.841 1223 D CB 0.641 41.287 40.800 -0.258 0.000 1.223 1223 D HN 0.077 nan 8.370 nan 0.000 0.470 1224 F N 1.248 121.273 119.950 0.125 0.000 2.802 1224 F HA 0.262 4.789 4.527 0.000 0.000 0.346 1224 F C 0.513 176.396 175.800 0.138 0.000 1.229 1224 F CA -0.532 57.548 58.000 0.135 0.000 1.142 1224 F CB 0.684 39.742 39.000 0.096 0.000 1.146 1224 F HN 0.172 nan 8.300 nan 0.000 0.510 1225 D N -0.398 120.157 120.400 0.258 0.000 2.379 1225 D HA 0.099 4.739 4.640 0.000 0.000 0.208 1225 D C 1.134 177.582 176.300 0.247 0.000 1.065 1225 D CA 0.601 54.734 54.000 0.220 0.000 0.848 1225 D CB 0.162 41.073 40.800 0.185 0.000 0.949 1225 D HN 0.289 nan 8.370 nan 0.000 0.509 1226 F N -0.048 119.960 119.950 0.097 0.000 2.706 1226 F HA 0.151 4.678 4.527 0.000 0.000 0.313 1226 F C 1.461 177.338 175.800 0.129 0.000 1.096 1226 F CA 0.034 58.094 58.000 0.099 0.000 1.219 1226 F CB 0.799 39.857 39.000 0.097 0.000 1.051 1226 F HN -0.249 nan 8.300 nan 0.000 0.568 1227 V N 0.864 120.929 119.914 0.251 0.000 2.685 1227 V HA 0.012 4.132 4.120 0.000 0.000 0.244 1227 V C -0.689 175.516 176.094 0.185 0.000 1.054 1227 V CA 0.875 63.320 62.300 0.241 0.000 1.076 1227 V CB -1.121 30.904 31.823 0.336 0.000 0.725 1227 V HN 0.074 nan 8.190 nan 0.000 0.467 1228 P HA -0.149 nan 4.420 nan 0.000 0.213 1228 P C -1.383 175.942 177.300 0.042 0.000 1.176 1228 P CA 2.293 65.462 63.100 0.115 0.000 0.919 1228 P CB -1.358 30.399 31.700 0.095 0.000 0.791 1229 P HA -0.058 nan 4.420 nan 0.000 0.219 1229 P C 1.565 178.856 177.300 -0.014 0.000 1.150 1229 P CA 0.898 63.964 63.100 -0.057 0.000 0.814 1229 P CB -0.446 31.152 31.700 -0.170 0.000 0.787 1230 V N -0.544 119.373 119.914 0.006 0.000 2.720 1230 V HA -0.145 3.975 4.120 0.000 0.000 0.256 1230 V C 2.094 178.273 176.094 0.141 0.000 1.082 1230 V CA 1.578 63.943 62.300 0.109 0.000 1.101 1230 V CB -0.864 31.070 31.823 0.186 0.000 0.693 1230 V HN -0.003 nan 8.190 nan 0.000 0.479 1231 V N -0.564 119.388 119.914 0.064 0.000 3.506 1231 V HA 0.064 4.184 4.120 0.000 0.000 0.263 1231 V C 2.155 178.237 176.094 -0.019 0.000 1.203 1231 V CA 0.862 63.152 62.300 -0.017 0.000 1.133 1231 V CB -0.502 31.221 31.823 -0.168 0.000 0.802 1231 V HN 0.459 nan 8.190 nan 0.000 0.459 1232 R N -1.256 119.265 120.500 0.035 0.000 2.297 1232 R HA -0.078 4.262 4.340 0.000 0.000 0.197 1232 R C 1.777 178.140 176.300 0.105 0.000 0.943 1232 R CA 0.479 56.602 56.100 0.038 0.000 1.038 1232 R CB 0.008 30.328 30.300 0.034 0.000 0.957 1232 R HN 0.605 nan 8.270 nan 0.000 0.484 1233 W N -0.055 121.212 121.300 -0.055 0.000 2.683 1233 W HA 0.170 4.830 4.660 0.001 0.000 0.267 1233 W C 0.926 177.412 176.519 -0.054 0.000 1.243 1233 W CA 0.364 57.681 57.345 -0.047 0.000 1.380 1233 W CB 0.177 29.619 29.460 -0.031 0.000 1.063 1233 W HN -0.044 nan 8.180 nan 0.000 0.599 1234 L N 0.923 122.115 121.223 -0.052 0.000 2.179 1234 L HA -0.056 4.284 4.340 0.000 0.000 0.208 1234 L C 1.365 178.085 176.870 -0.251 0.000 1.096 1234 L CA 0.858 55.572 54.840 -0.210 0.000 0.779 1234 L CB -0.648 41.360 42.059 -0.084 0.000 0.922 1234 L HN -0.074 nan 8.230 nan 0.000 0.443 1235 N N -0.355 118.235 118.700 -0.183 0.000 2.280 1235 N HA -0.018 4.722 4.740 0.000 0.000 0.192 1235 N C 1.052 176.462 175.510 -0.167 0.000 1.109 1235 N CA 0.315 53.257 53.050 -0.180 0.000 0.855 1235 N CB 0.509 38.917 38.487 -0.132 0.000 0.974 1235 N HN 0.395 nan 8.380 nan 0.000 0.482 1236 E N 0.050 120.138 120.200 -0.186 0.000 2.474 1236 E HA 0.071 4.421 4.350 0.000 0.000 0.194 1236 E C 0.723 177.179 176.600 -0.239 0.000 1.041 1236 E CA 0.225 56.525 56.400 -0.166 0.000 0.874 1236 E CB 0.356 29.992 29.700 -0.107 0.000 0.914 1236 E HN 0.077 nan 8.360 nan 0.000 0.498 1237 Q N 0.212 119.808 119.800 -0.341 0.000 2.360 1237 Q HA 0.123 4.463 4.340 0.000 0.000 0.202 1237 Q C -0.199 175.697 176.000 -0.175 0.000 0.915 1237 Q CA -0.025 55.581 55.803 -0.329 0.000 0.943 1237 Q CB 0.095 28.527 28.738 -0.510 0.000 1.064 1237 Q HN 0.130 nan 8.270 nan 0.000 0.511 1238 R N 0.465 120.859 120.500 -0.177 0.000 3.013 1238 R HA -0.244 4.096 4.340 0.000 0.000 0.232 1238 R C -0.706 175.500 176.300 -0.156 0.000 0.854 1238 R CA 0.218 56.195 56.100 -0.205 0.000 0.580 1238 R CB -1.701 28.556 30.300 -0.073 0.000 1.030 1238 R HN 0.139 nan 8.270 nan 0.000 0.489 1239 Y N 0.812 120.912 120.300 -0.334 0.000 2.594 1239 Y HA 0.041 4.592 4.550 0.001 0.000 0.344 1239 Y C 0.229 175.993 175.900 -0.226 0.000 1.185 1239 Y CA -0.850 57.100 58.100 -0.250 0.000 1.565 1239 Y CB -0.161 38.118 38.460 -0.301 0.000 1.415 1239 Y HN 0.150 nan 8.280 nan 0.000 0.488 1240 Y N 3.048 123.244 120.300 -0.173 0.000 2.632 1240 Y HA 0.177 4.728 4.550 0.001 0.000 0.301 1240 Y C 1.680 177.582 175.900 0.003 0.000 1.172 1240 Y CA 0.605 58.707 58.100 0.003 0.000 1.328 1240 Y CB -0.374 38.197 38.460 0.185 0.000 1.016 1240 Y HN 0.782 nan 8.280 nan 0.000 0.529 1241 G N -0.635 107.873 108.800 -0.487 0.000 2.681 1241 G HA2 0.172 4.132 3.960 0.000 0.000 0.220 1241 G HA3 0.172 4.132 3.960 0.000 0.000 0.220 1241 G C 0.316 175.163 174.900 -0.088 0.000 1.353 1241 G CA -0.492 44.364 45.100 -0.408 0.000 0.872 1241 G HN 1.051 nan 8.290 nan 0.000 0.557 1242 G N -1.613 107.237 108.800 0.083 0.000 2.914 1242 G HA2 0.436 4.396 3.960 0.000 0.000 0.254 1242 G HA3 0.436 4.396 3.960 0.000 0.000 0.254 1242 G C 1.396 176.366 174.900 0.117 0.000 1.449 1242 G CA 1.179 46.364 45.100 0.142 0.000 0.925 1242 G HN 3.305 nan 8.290 nan 0.000 0.555 1243 G N -2.237 106.638 108.800 0.124 0.000 2.462 1243 G HA2 0.418 4.378 3.960 0.000 0.000 0.685 1243 G HA3 0.418 4.378 3.960 0.000 0.000 0.685 1243 G C -0.631 174.382 174.900 0.187 0.000 1.295 1243 G CA 0.153 45.341 45.100 0.146 0.000 0.941 1243 G HN 2.190 nan 8.290 nan 0.000 0.554 1244 Y N 1.186 121.528 120.300 0.071 0.000 2.367 1244 Y HA 0.488 5.038 4.550 0.000 0.000 0.342 1244 Y C 1.159 177.102 175.900 0.071 0.000 0.979 1244 Y CA 0.952 59.094 58.100 0.070 0.000 1.161 1244 Y CB 0.970 39.460 38.460 0.051 0.000 1.155 1244 Y HN 2.252 nan 8.280 nan 0.000 0.503 1245 G N 2.816 111.521 108.800 -0.157 0.000 2.175 1245 G HA2 -0.261 3.699 3.960 0.000 0.000 0.182 1245 G HA3 -0.261 3.699 3.960 0.000 0.000 0.182 1245 G C 0.374 175.313 174.900 0.065 0.000 1.003 1245 G CA 0.285 45.353 45.100 -0.054 0.000 0.666 1245 G HN 1.168 nan 8.290 nan 0.000 0.506 1246 S N -1.106 114.651 115.700 0.095 0.000 2.749 1246 S HA 0.346 4.816 4.470 0.000 0.000 0.246 1246 S C 1.314 176.037 174.600 0.205 0.000 1.023 1246 S CA 1.082 59.402 58.200 0.199 0.000 1.012 1246 S CB 0.596 63.958 63.200 0.271 0.000 0.942 1246 S HN 0.180 nan 8.310 nan 0.000 0.531 1247 T N 2.173 116.812 114.554 0.142 0.000 3.072 1247 T HA 0.091 4.441 4.350 0.000 0.000 0.266 1247 T C 1.569 176.408 174.700 0.232 0.000 1.127 1247 T CA 0.986 63.184 62.100 0.164 0.000 1.107 1247 T CB -0.066 68.849 68.868 0.078 0.000 0.910 1247 T HN 0.334 nan 8.240 nan 0.000 0.513 1248 Q N -0.211 119.738 119.800 0.249 0.000 2.402 1248 Q HA 0.359 4.699 4.340 0.000 0.000 0.231 1248 Q C 2.458 178.672 176.000 0.357 0.000 0.888 1248 Q CA 0.419 56.427 55.803 0.343 0.000 0.938 1248 Q CB -0.057 28.891 28.738 0.349 0.000 1.086 1248 Q HN 0.485 nan 8.270 nan 0.000 0.543 1249 A N 0.272 123.284 122.820 0.320 0.000 2.121 1249 A HA -0.077 4.244 4.320 0.000 0.000 0.218 1249 A C 1.949 179.789 177.584 0.427 0.000 1.154 1249 A CA 1.582 53.813 52.037 0.324 0.000 0.679 1249 A CB -0.188 18.981 19.000 0.281 0.000 0.795 1249 A HN 0.237 nan 8.150 nan 0.000 0.458 1250 T N -2.153 112.625 114.554 0.373 0.000 3.039 1250 T HA 0.104 4.454 4.350 0.000 0.000 0.250 1250 T C 1.296 176.238 174.700 0.402 0.000 1.052 1250 T CA 0.541 62.843 62.100 0.336 0.000 1.125 1250 T CB -0.205 68.851 68.868 0.313 0.000 0.908 1250 T HN 0.468 nan 8.240 nan 0.000 0.473 1251 F N 1.218 121.325 119.950 0.262 0.000 2.661 1251 F HA 0.122 4.649 4.527 0.000 0.000 0.298 1251 F C 1.589 177.494 175.800 0.174 0.000 1.137 1251 F CA 0.616 58.768 58.000 0.253 0.000 1.454 1251 F CB 0.071 39.257 39.000 0.309 0.000 1.103 1251 F HN 0.022 nan 8.300 nan 0.000 0.577 1252 M N -1.776 117.918 119.600 0.156 0.000 2.669 1252 M HA 0.172 4.652 4.480 0.000 0.000 0.248 1252 M C 1.984 178.233 176.300 -0.084 0.000 1.382 1252 M CA 0.474 55.755 55.300 -0.033 0.000 1.158 1252 M CB -1.179 31.352 32.600 -0.114 0.000 1.371 1252 M HN -0.077 nan 8.290 nan 0.000 0.540 1253 V N 0.675 120.537 119.914 -0.086 0.000 3.330 1253 V HA -0.165 3.956 4.120 0.000 0.000 0.273 1253 V C 1.336 177.162 176.094 -0.447 0.000 1.179 1253 V CA 1.582 63.738 62.300 -0.240 0.000 1.174 1253 V CB -0.479 31.214 31.823 -0.217 0.000 0.794 1253 V HN 0.215 nan 8.190 nan 0.000 0.527 1254 F N -0.926 118.965 119.950 -0.099 0.000 2.532 1254 F HA 0.189 4.716 4.527 0.000 0.000 0.276 1254 F C 2.186 177.949 175.800 -0.062 0.000 0.911 1254 F CA 0.910 58.808 58.000 -0.170 0.000 1.196 1254 F CB -0.811 38.044 39.000 -0.241 0.000 1.087 1254 F HN -0.017 nan 8.300 nan 0.000 0.775 1255 Q N 0.670 120.509 119.800 0.064 0.000 2.197 1255 Q HA -0.186 4.154 4.340 0.000 0.000 0.207 1255 Q C 2.091 178.133 176.000 0.070 0.000 0.984 1255 Q CA 1.698 57.518 55.803 0.028 0.000 0.869 1255 Q CB -0.102 28.502 28.738 -0.223 0.000 0.906 1255 Q HN 0.394 nan 8.270 nan 0.000 0.426 1256 A N 0.268 123.096 122.820 0.013 0.000 1.872 1256 A HA -0.097 4.223 4.320 0.000 0.000 0.214 1256 A C 1.875 179.529 177.584 0.117 0.000 1.187 1256 A CA 0.925 52.973 52.037 0.018 0.000 0.614 1256 A CB -0.511 18.458 19.000 -0.052 0.000 0.826 1256 A HN 0.427 nan 8.150 nan 0.000 0.442 1257 L N -0.842 120.460 121.223 0.131 0.000 2.551 1257 L HA -0.041 4.299 4.340 0.000 0.000 0.228 1257 L C 2.585 179.720 176.870 0.441 0.000 1.153 1257 L CA 0.584 55.560 54.840 0.227 0.000 0.851 1257 L CB -0.240 41.909 42.059 0.150 0.000 0.959 1257 L HN 0.463 nan 8.230 nan 0.000 0.451 1258 A N -1.152 121.897 122.820 0.382 0.000 2.063 1258 A HA -0.054 4.266 4.320 0.000 0.000 0.211 1258 A C 2.122 179.777 177.584 0.120 0.000 1.177 1258 A CA 0.345 52.566 52.037 0.306 0.000 0.759 1258 A CB 0.032 19.252 19.000 0.367 0.000 0.857 1258 A HN 0.244 nan 8.150 nan 0.000 0.468 1259 Q N -1.681 118.226 119.800 0.178 0.000 2.408 1259 Q HA 0.078 4.418 4.340 0.000 0.000 0.205 1259 Q C 1.243 177.325 176.000 0.137 0.000 0.919 1259 Q CA 0.502 56.390 55.803 0.142 0.000 0.932 1259 Q CB -0.539 28.284 28.738 0.143 0.000 1.058 1259 Q HN 0.751 nan 8.270 nan 0.000 0.517 1260 Y N 0.059 120.395 120.300 0.061 0.000 2.639 1260 Y HA -0.094 4.456 4.550 0.000 0.000 0.297 1260 Y C 1.278 177.188 175.900 0.017 0.000 1.151 1260 Y CA 1.062 59.199 58.100 0.061 0.000 1.335 1260 Y CB 0.534 39.042 38.460 0.079 0.000 0.994 1260 Y HN 0.090 nan 8.280 nan 0.000 0.548 1261 Q N 0.259 120.035 119.800 -0.039 0.000 2.391 1261 Q HA 0.013 4.353 4.340 0.000 0.000 0.211 1261 Q C 1.464 177.364 176.000 -0.167 0.000 0.908 1261 Q CA 0.783 56.497 55.803 -0.148 0.000 0.920 1261 Q CB 0.088 28.777 28.738 -0.082 0.000 1.056 1261 Q HN 0.572 nan 8.270 nan 0.000 0.523 1262 K N 1.080 121.413 120.400 -0.111 0.000 2.365 1262 K HA -0.054 4.266 4.320 0.000 0.000 0.197 1262 K C 0.907 177.449 176.600 -0.096 0.000 1.042 1262 K CA 1.220 57.456 56.287 -0.085 0.000 0.987 1262 K CB 0.282 32.763 32.500 -0.032 0.000 0.779 1262 K HN 0.169 nan 8.250 nan 0.000 0.484 1263 D N 1.244 121.568 120.400 -0.126 0.000 2.323 1263 D HA 0.020 4.660 4.640 0.000 0.000 0.218 1263 D C 0.626 176.750 176.300 -0.294 0.000 0.973 1263 D CA -0.098 53.823 54.000 -0.132 0.000 0.890 1263 D CB -0.515 40.289 40.800 0.006 0.000 1.011 1263 D HN 0.022 nan 8.370 nan 0.000 0.499 1264 A N 2.455 125.029 122.820 -0.408 0.000 2.589 1264 A HA 0.038 4.358 4.320 0.000 0.000 0.265 1264 A C -0.971 176.398 177.584 -0.357 0.000 0.973 1264 A CA -0.181 51.574 52.037 -0.470 0.000 0.902 1264 A CB -0.010 18.714 19.000 -0.460 0.000 0.846 1264 A HN 0.231 nan 8.150 nan 0.000 0.489 1265 P HA -0.031 nan 4.420 nan 0.000 0.220 1265 P C 0.176 177.322 177.300 -0.257 0.000 1.152 1265 P CA 1.089 63.991 63.100 -0.329 0.000 0.812 1265 P CB -0.000 31.499 31.700 -0.335 0.000 0.792 1266 D N -3.237 117.056 120.400 -0.180 0.000 3.028 1266 D HA -0.211 4.430 4.640 0.000 0.000 0.207 1266 D C 0.247 176.526 176.300 -0.036 0.000 1.100 1266 D CA 1.589 55.529 54.000 -0.099 0.000 0.995 1266 D CB -2.598 38.123 40.800 -0.132 0.000 1.108 1266 D HN 0.428 nan 8.370 nan 0.000 0.421 1267 H N -0.859 118.096 119.070 -0.192 0.000 2.770 1267 H HA -0.225 4.331 4.556 0.000 0.000 0.309 1267 H C -0.048 175.122 175.328 -0.263 0.000 1.206 1267 H CA 1.647 57.599 56.048 -0.159 0.000 1.147 1267 H CB -1.142 28.588 29.762 -0.052 0.000 1.422 1267 H HN 0.534 nan 8.280 nan 0.000 0.420 1268 Q N 1.054 120.488 119.800 -0.611 0.000 2.322 1268 Q HA 0.423 4.763 4.340 0.000 0.000 0.256 1268 Q C -0.714 174.767 176.000 -0.865 0.000 0.960 1268 Q CA -0.290 54.759 55.803 -1.257 0.000 0.934 1268 Q CB 1.617 29.443 28.738 -1.521 0.000 1.200 1268 Q HN 0.574 nan 8.270 nan 0.000 0.435 1269 E N 3.248 123.091 120.200 -0.595 0.000 2.392 1269 E HA 0.725 5.075 4.350 0.000 0.000 0.279 1269 E C -1.134 175.520 176.600 0.089 0.000 0.964 1269 E CA -1.020 55.247 56.400 -0.222 0.000 0.777 1269 E CB 1.407 30.959 29.700 -0.247 0.000 1.249 1269 E HN 0.620 nan 8.360 nan 0.000 0.449 1270 L N 1.424 122.692 121.223 0.075 0.000 5.407 1270 L HA 0.132 4.472 4.340 0.000 0.000 0.235 1270 L C -0.932 175.971 176.870 0.057 0.000 1.189 1270 L CA -0.497 54.405 54.840 0.104 0.000 1.078 1270 L CB -0.339 41.842 42.059 0.204 0.000 1.613 1270 L HN 0.599 nan 8.230 nan 0.000 0.481 1271 N N 2.346 121.039 118.700 -0.012 0.000 2.699 1271 N HA 0.439 5.179 4.740 0.000 0.000 0.317 1271 N C -0.420 175.021 175.510 -0.114 0.000 1.661 1271 N CA -0.217 52.771 53.050 -0.104 0.000 0.979 1271 N CB 0.457 38.910 38.487 -0.057 0.000 1.329 1271 N HN 0.521 nan 8.380 nan 0.000 0.497 1272 L N 0.132 121.303 121.223 -0.086 0.000 2.485 1272 L HA 0.167 4.507 4.340 0.000 0.000 0.275 1272 L C 0.105 176.924 176.870 -0.084 0.000 1.207 1272 L CA 0.315 55.120 54.840 -0.059 0.000 0.855 1272 L CB 0.410 42.452 42.059 -0.028 0.000 1.114 1272 L HN 0.188 nan 8.230 nan 0.000 0.485 1273 D N 2.298 122.670 120.400 -0.045 0.000 2.381 1273 D HA 0.313 4.953 4.640 0.000 0.000 0.245 1273 D C -0.969 175.334 176.300 0.005 0.000 1.297 1273 D CA -0.195 53.789 54.000 -0.026 0.000 0.931 1273 D CB 1.192 41.971 40.800 -0.034 0.000 1.334 1273 D HN 0.020 nan 8.370 nan 0.000 0.535 1274 V N 1.631 121.557 119.914 0.020 0.000 2.716 1274 V HA 0.659 4.779 4.120 0.000 0.000 0.304 1274 V C 0.577 176.699 176.094 0.046 0.000 1.053 1274 V CA -0.740 61.578 62.300 0.029 0.000 0.984 1274 V CB 1.720 33.557 31.823 0.024 0.000 1.021 1274 V HN 0.615 nan 8.190 nan 0.000 0.467 1275 S N 4.290 120.018 115.700 0.047 0.000 2.472 1275 S HA 0.794 5.264 4.470 0.000 0.000 0.303 1275 S C -1.000 173.640 174.600 0.066 0.000 1.099 1275 S CA -0.741 57.491 58.200 0.054 0.000 1.077 1275 S CB 1.131 64.357 63.200 0.044 0.000 1.031 1275 S HN 0.510 nan 8.310 nan 0.000 0.487 1276 L N 2.517 123.779 121.223 0.064 0.000 2.329 1276 L HA 0.623 4.963 4.340 0.000 0.000 0.279 1276 L C -0.167 176.734 176.870 0.051 0.000 1.014 1276 L CA -0.483 54.395 54.840 0.063 0.000 0.814 1276 L CB 1.903 43.971 42.059 0.017 0.000 1.257 1276 L HN 0.767 nan 8.230 nan 0.000 0.424 1277 Q N 3.219 123.067 119.800 0.080 0.000 2.305 1277 Q HA 0.673 5.013 4.340 0.000 0.000 0.271 1277 Q C -2.035 174.005 176.000 0.067 0.000 1.046 1277 Q CA -0.671 55.171 55.803 0.065 0.000 0.798 1277 Q CB 2.503 31.289 28.738 0.081 0.000 1.286 1277 Q HN 0.466 nan 8.270 nan 0.000 0.435 1278 L N 4.523 125.749 121.223 0.004 0.000 2.434 1278 L HA 0.485 4.825 4.340 0.000 0.000 0.260 1278 L C -2.063 174.807 176.870 0.001 0.000 0.983 1278 L CA -1.689 53.135 54.840 -0.027 0.000 0.820 1278 L CB 1.866 43.823 42.059 -0.170 0.000 1.361 1278 L HN 0.526 nan 8.230 nan 0.000 0.410 1279 P HA -0.118 nan 4.420 nan 0.000 0.224 1279 P C 0.840 178.140 177.300 -0.001 0.000 1.142 1279 P CA 1.153 64.264 63.100 0.018 0.000 0.778 1279 P CB 0.214 31.931 31.700 0.029 0.000 0.764 1280 S N -1.829 113.861 115.700 -0.018 0.000 2.502 1280 S HA 0.035 4.505 4.470 0.000 0.000 0.215 1280 S C 1.132 175.721 174.600 -0.019 0.000 1.009 1280 S CA -0.428 57.759 58.200 -0.020 0.000 0.908 1280 S CB -0.448 62.733 63.200 -0.030 0.000 0.801 1280 S HN 0.034 nan 8.310 nan 0.000 0.505 1281 R N 3.102 123.590 120.500 -0.020 0.000 2.345 1281 R HA 0.269 4.609 4.340 0.000 0.000 0.331 1281 R C 0.106 176.403 176.300 -0.005 0.000 1.067 1281 R CA 0.679 56.770 56.100 -0.014 0.000 0.962 1281 R CB -0.293 29.998 30.300 -0.016 0.000 0.987 1281 R HN 0.280 nan 8.270 nan 0.000 0.451 1282 S N 1.670 117.367 115.700 -0.005 0.000 2.496 1282 S HA -0.003 4.467 4.470 0.000 0.000 0.224 1282 S C 0.554 175.154 174.600 -0.000 0.000 0.996 1282 S CA 0.084 58.283 58.200 -0.001 0.000 0.927 1282 S CB 0.025 63.224 63.200 -0.002 0.000 0.774 1282 S HN 0.724 nan 8.310 nan 0.000 0.524 1283 S N 0.977 116.676 115.700 -0.001 0.000 2.681 1283 S HA 0.626 5.097 4.470 0.000 0.000 0.299 1283 S C -0.457 174.145 174.600 0.004 0.000 1.113 1283 S CA -1.002 57.198 58.200 0.000 0.000 1.013 1283 S CB 1.104 64.303 63.200 -0.002 0.000 1.076 1283 S HN -0.053 nan 8.310 nan 0.000 0.534 1284 K N 0.615 121.018 120.400 0.006 0.000 2.126 1284 K HA 0.510 4.830 4.320 0.000 0.000 0.257 1284 K C -0.785 175.825 176.600 0.017 0.000 1.007 1284 K CA -0.563 55.731 56.287 0.012 0.000 0.928 1284 K CB 0.262 32.769 32.500 0.011 0.000 1.013 1284 K HN 0.719 nan 8.250 nan 0.000 0.473 1285 I N 1.304 121.891 120.570 0.029 0.000 2.466 1285 I HA 0.305 4.475 4.170 0.000 0.000 0.289 1285 I C -0.502 175.660 176.117 0.074 0.000 1.026 1285 I CA -0.544 60.787 61.300 0.051 0.000 1.078 1285 I CB 2.302 40.332 38.000 0.049 0.000 1.249 1285 I HN 0.304 nan 8.210 nan 0.000 0.429 1286 T N 3.749 118.359 114.554 0.092 0.000 3.295 1286 T HA 0.427 4.777 4.350 0.000 0.000 0.331 1286 T C -0.951 173.792 174.700 0.073 0.000 1.142 1286 T CA -0.671 61.483 62.100 0.091 0.000 1.078 1286 T CB 1.319 70.205 68.868 0.031 0.000 1.150 1286 T HN 0.496 nan 8.240 nan 0.000 0.465 1287 H N 1.680 120.753 119.070 0.005 0.000 2.864 1287 H HA 0.746 5.302 4.556 0.000 0.000 0.354 1287 H C -0.217 175.112 175.328 0.003 0.000 1.208 1287 H CA -1.192 54.860 56.048 0.008 0.000 1.191 1287 H CB 2.356 32.120 29.762 0.003 0.000 1.889 1287 H HN 0.561 nan 8.280 nan 0.000 0.574 1288 R N 1.136 121.716 120.500 0.133 0.000 2.518 1288 R HA 0.279 4.620 4.340 0.000 0.000 0.287 1288 R C -1.404 174.909 176.300 0.021 0.000 1.135 1288 R CA -0.661 55.457 56.100 0.029 0.000 0.967 1288 R CB 0.978 31.260 30.300 -0.029 0.000 1.212 1288 R HN 0.369 nan 8.270 nan 0.000 0.422 1289 I N 5.074 125.628 120.570 -0.027 0.000 2.204 1289 I HA 0.126 4.296 4.170 0.000 0.000 0.291 1289 I C 0.544 176.654 176.117 -0.011 0.000 1.153 1289 I CA -0.167 61.134 61.300 0.001 0.000 1.546 1289 I CB -0.991 37.007 38.000 -0.003 0.000 1.490 1289 I HN 0.582 nan 8.210 nan 0.000 0.697 1290 H N 2.807 121.913 119.070 0.061 0.000 2.745 1290 H HA -0.101 4.455 4.556 0.000 0.000 0.373 1290 H C 0.918 176.320 175.328 0.125 0.000 1.226 1290 H CA 0.258 56.362 56.048 0.094 0.000 1.435 1290 H CB 1.218 31.027 29.762 0.079 0.000 1.461 1290 H HN 0.571 nan 8.280 nan 0.000 0.616 1291 W N 2.574 123.951 121.300 0.129 0.000 2.363 1291 W HA -0.143 4.517 4.660 0.000 0.000 0.296 1291 W C 1.497 178.040 176.519 0.040 0.000 1.212 1291 W CA 1.526 58.901 57.345 0.049 0.000 1.260 1291 W CB 0.236 29.709 29.460 0.021 0.000 1.131 1291 W HN 0.748 nan 8.180 nan 0.000 0.530 1292 E N 0.337 120.637 120.200 0.168 0.000 2.106 1292 E HA -0.153 4.198 4.350 0.000 0.000 0.192 1292 E C 1.356 177.932 176.600 -0.039 0.000 0.984 1292 E CA 1.526 57.949 56.400 0.038 0.000 0.806 1292 E CB -1.074 28.673 29.700 0.078 0.000 0.750 1292 E HN 0.254 nan 8.360 nan 0.000 0.458 1293 S N -0.225 115.479 115.700 0.008 0.000 2.525 1293 S HA 0.673 5.143 4.470 0.000 0.000 0.242 1293 S C 0.986 175.576 174.600 -0.017 0.000 1.164 1293 S CA -0.111 58.083 58.200 -0.009 0.000 1.154 1293 S CB 1.063 64.279 63.200 0.026 0.000 0.875 1293 S HN 0.359 nan 8.310 nan 0.000 0.482 1294 A N 2.293 125.064 122.820 -0.083 0.000 1.935 1294 A HA 0.086 4.406 4.320 0.000 0.000 0.214 1294 A C 2.137 179.662 177.584 -0.099 0.000 1.178 1294 A CA 1.120 53.106 52.037 -0.085 0.000 0.640 1294 A CB -0.727 18.184 19.000 -0.148 0.000 0.825 1294 A HN 0.819 nan 8.150 nan 0.000 0.447 1295 S N -0.790 114.828 115.700 -0.137 0.000 2.603 1295 S HA 0.220 4.690 4.470 0.000 0.000 0.220 1295 S C 0.352 174.912 174.600 -0.066 0.000 0.967 1295 S CA -0.241 57.895 58.200 -0.107 0.000 0.920 1295 S CB -0.516 62.605 63.200 -0.131 0.000 0.773 1295 S HN 0.288 nan 8.310 nan 0.000 0.529 1296 L N 2.804 123.997 121.223 -0.050 0.000 2.407 1296 L HA 0.402 4.743 4.340 0.000 0.000 0.282 1296 L C -0.651 176.210 176.870 -0.014 0.000 1.110 1296 L CA -0.567 54.259 54.840 -0.024 0.000 0.863 1296 L CB -0.265 41.790 42.059 -0.006 0.000 1.207 1296 L HN 0.172 nan 8.230 nan 0.000 0.454 1297 L N 6.544 127.755 121.223 -0.019 0.000 2.600 1297 L HA 0.165 4.505 4.340 0.000 0.000 0.278 1297 L C 0.664 177.521 176.870 -0.022 0.000 1.139 1297 L CA 0.671 55.497 54.840 -0.023 0.000 0.933 1297 L CB -0.455 41.590 42.059 -0.025 0.000 1.266 1297 L HN 0.471 nan 8.230 nan 0.000 0.471 1298 R N 2.335 122.812 120.500 -0.038 0.000 2.408 1298 R HA 0.313 4.653 4.340 0.000 0.000 0.308 1298 R C -0.129 176.069 176.300 -0.170 0.000 1.210 1298 R CA -0.204 55.852 56.100 -0.073 0.000 1.115 1298 R CB 0.284 30.549 30.300 -0.059 0.000 1.127 1298 R HN 0.636 nan 8.270 nan 0.000 0.523 1299 S N 1.565 117.199 115.700 -0.109 0.000 2.549 1299 S HA 0.563 5.033 4.470 0.000 0.000 0.297 1299 S C -0.312 174.228 174.600 -0.101 0.000 1.115 1299 S CA -1.033 57.105 58.200 -0.103 0.000 1.059 1299 S CB 2.567 65.734 63.200 -0.055 0.000 1.046 1299 S HN 0.306 nan 8.310 nan 0.000 0.506 1300 E N 0.872 121.010 120.200 -0.102 0.000 2.383 1300 E HA 0.652 5.002 4.350 0.000 0.000 0.275 1300 E C -1.185 175.368 176.600 -0.078 0.000 0.918 1300 E CA -0.570 55.782 56.400 -0.081 0.000 0.764 1300 E CB 2.267 31.910 29.700 -0.096 0.000 1.252 1300 E HN 0.799 nan 8.360 nan 0.000 0.449 1301 E N -0.331 119.830 120.200 -0.065 0.000 2.445 1301 E HA 0.708 5.059 4.350 0.000 0.000 0.279 1301 E C -0.804 175.762 176.600 -0.058 0.000 1.018 1301 E CA -0.828 55.536 56.400 -0.060 0.000 0.816 1301 E CB 1.545 31.222 29.700 -0.037 0.000 1.356 1301 E HN 0.538 nan 8.360 nan 0.000 0.462 1302 T N -2.497 112.026 114.554 -0.051 0.000 2.671 1302 T HA 0.531 4.882 4.350 0.000 0.000 0.300 1302 T C -0.364 174.322 174.700 -0.024 0.000 1.238 1302 T CA -1.056 61.018 62.100 -0.042 0.000 1.020 1302 T CB 1.093 69.925 68.868 -0.059 0.000 1.503 1302 T HN 0.418 nan 8.240 nan 0.000 0.497 1303 K N -0.505 119.886 120.400 -0.016 0.000 2.374 1303 K HA 0.367 4.687 4.320 0.000 0.000 0.202 1303 K C 0.235 176.835 176.600 0.001 0.000 1.040 1303 K CA -0.185 56.101 56.287 -0.002 0.000 1.085 1303 K CB 0.959 33.460 32.500 0.002 0.000 0.873 1303 K HN 0.623 nan 8.250 nan 0.000 0.539 1304 E N 1.162 121.357 120.200 -0.009 0.000 2.277 1304 E HA 0.212 4.563 4.350 0.000 0.000 0.266 1304 E C -1.327 175.269 176.600 -0.006 0.000 0.901 1304 E CA -0.866 55.531 56.400 -0.006 0.000 0.782 1304 E CB 1.202 30.897 29.700 -0.009 0.000 1.228 1304 E HN -0.110 nan 8.360 nan 0.000 0.424 1305 N N 2.405 121.105 118.700 -0.000 0.000 2.406 1305 N HA 0.125 4.865 4.740 0.000 0.000 0.251 1305 N C -1.359 174.162 175.510 0.019 0.000 1.069 1305 N CA 0.120 53.172 53.050 0.004 0.000 0.947 1305 N CB 0.512 38.995 38.487 -0.008 0.000 1.111 1305 N HN 0.317 nan 8.380 nan 0.000 0.497 1306 E N 0.584 120.810 120.200 0.045 0.000 2.410 1306 E HA 0.590 4.940 4.350 0.000 0.000 0.269 1306 E C -0.227 176.466 176.600 0.155 0.000 0.937 1306 E CA -1.013 55.434 56.400 0.079 0.000 0.793 1306 E CB 1.426 31.164 29.700 0.064 0.000 1.314 1306 E HN 0.501 nan 8.360 nan 0.000 0.447 1307 G N 0.053 108.949 108.800 0.159 0.000 2.489 1307 G HA2 0.781 4.741 3.960 0.000 0.000 0.327 1307 G HA3 0.781 4.741 3.960 0.000 0.000 0.327 1307 G C -1.010 174.074 174.900 0.307 0.000 1.189 1307 G CA -0.583 44.620 45.100 0.172 0.000 0.962 1307 G HN 0.382 nan 8.290 nan 0.000 0.486 1308 F N -1.964 117.980 119.950 -0.009 0.000 2.944 1308 F HA 0.700 5.227 4.527 0.000 0.000 0.324 1308 F C -1.002 174.794 175.800 -0.006 0.000 1.151 1308 F CA -1.167 56.829 58.000 -0.007 0.000 0.883 1308 F CB 1.025 40.021 39.000 -0.006 0.000 1.341 1308 F HN 0.588 nan 8.300 nan 0.000 0.456 1309 T N 1.625 116.204 114.554 0.042 0.000 2.908 1309 T HA 0.740 5.091 4.350 0.000 0.000 0.290 1309 T C -1.136 173.631 174.700 0.112 0.000 1.034 1309 T CA -0.663 61.397 62.100 -0.065 0.000 1.010 1309 T CB 2.168 71.027 68.868 -0.015 0.000 1.068 1309 T HN 0.622 nan 8.240 nan 0.000 0.481 1310 V N 1.532 121.463 119.914 0.030 0.000 2.919 1310 V HA 0.719 4.839 4.120 0.000 0.000 0.316 1310 V C -0.144 175.974 176.094 0.041 0.000 1.077 1310 V CA -0.717 61.636 62.300 0.088 0.000 0.977 1310 V CB 2.250 34.123 31.823 0.084 0.000 1.039 1310 V HN 1.016 nan 8.190 nan 0.000 0.441 1311 T N 2.556 117.138 114.554 0.046 0.000 3.135 1311 T HA 0.567 4.917 4.350 0.000 0.000 0.357 1311 T C -0.105 174.609 174.700 0.024 0.000 1.112 1311 T CA -0.133 61.984 62.100 0.028 0.000 1.290 1311 T CB 0.992 69.878 68.868 0.030 0.000 1.018 1311 T HN 0.961 nan 8.240 nan 0.000 0.527 1312 A N 2.389 125.219 122.820 0.017 0.000 2.313 1312 A HA 0.846 5.167 4.320 0.000 0.000 0.261 1312 A C 0.218 177.807 177.584 0.009 0.000 1.090 1312 A CA -0.359 51.686 52.037 0.012 0.000 0.807 1312 A CB 0.688 19.694 19.000 0.010 0.000 1.055 1312 A HN 0.757 nan 8.150 nan 0.000 0.492 1313 E N -0.960 119.242 120.200 0.004 0.000 2.396 1313 E HA 0.478 4.828 4.350 0.000 0.000 0.280 1313 E C -0.375 176.222 176.600 -0.006 0.000 1.065 1313 E CA -0.082 56.319 56.400 0.001 0.000 0.831 1313 E CB 1.392 31.094 29.700 0.003 0.000 1.272 1313 E HN 2.371 nan 8.360 nan 0.000 0.443 1314 G N 2.141 110.938 108.800 -0.005 0.000 2.781 1314 G HA2 -0.202 3.758 3.960 0.000 0.000 0.683 1314 G HA3 -0.202 3.758 3.960 0.000 0.000 0.683 1314 G C -0.678 174.218 174.900 -0.006 0.000 1.390 1314 G CA -0.125 44.969 45.100 -0.010 0.000 0.850 1314 G HN 0.546 nan 8.290 nan 0.000 0.557 1315 K N 0.274 120.670 120.400 -0.007 0.000 2.181 1315 K HA 0.580 4.900 4.320 0.000 0.000 0.239 1315 K C 1.138 177.738 176.600 0.001 0.000 1.073 1315 K CA 0.974 57.260 56.287 -0.003 0.000 0.839 1315 K CB -0.269 32.224 32.500 -0.011 0.000 1.116 1315 K HN 2.545 nan 8.250 nan 0.000 0.518 1316 G N -0.394 108.411 108.800 0.007 0.000 2.721 1316 G HA2 -0.181 3.779 3.960 0.000 0.000 0.686 1316 G HA3 -0.181 3.779 3.960 0.000 0.000 0.686 1316 G C -1.259 173.659 174.900 0.030 0.000 1.236 1316 G CA -0.651 44.463 45.100 0.024 0.000 0.786 1316 G HN 0.499 nan 8.290 nan 0.000 0.616 1317 Q N -0.157 119.669 119.800 0.044 0.000 2.306 1317 Q HA 0.755 5.095 4.340 0.000 0.000 0.265 1317 Q C 0.501 176.522 176.000 0.034 0.000 1.022 1317 Q CA -0.100 55.728 55.803 0.041 0.000 0.853 1317 Q CB 1.778 30.549 28.738 0.055 0.000 1.327 1317 Q HN 1.595 nan 8.270 nan 0.000 0.449 1318 G N 0.477 109.291 108.800 0.023 0.000 2.721 1318 G HA2 0.615 4.575 3.960 0.000 0.000 0.296 1318 G HA3 0.615 4.575 3.960 0.000 0.000 0.296 1318 G C -1.463 173.444 174.900 0.011 0.000 1.383 1318 G CA -0.421 44.687 45.100 0.014 0.000 0.788 1318 G HN 0.492 nan 8.290 nan 0.000 0.500 1319 T N 0.013 114.570 114.554 0.006 0.000 2.912 1319 T HA 0.539 4.889 4.350 0.000 0.000 0.299 1319 T C -1.469 173.233 174.700 0.003 0.000 1.052 1319 T CA -0.331 61.772 62.100 0.006 0.000 0.996 1319 T CB 1.786 70.657 68.868 0.006 0.000 1.070 1319 T HN 0.682 nan 8.240 nan 0.000 0.465 1320 L N 3.518 124.744 121.223 0.006 0.000 2.325 1320 L HA 0.795 5.135 4.340 0.000 0.000 0.281 1320 L C -0.572 176.305 176.870 0.012 0.000 1.004 1320 L CA -0.198 54.647 54.840 0.009 0.000 0.823 1320 L CB 1.341 43.410 42.059 0.016 0.000 1.236 1320 L HN 0.691 nan 8.230 nan 0.000 0.415 1321 S N 4.026 119.733 115.700 0.011 0.000 2.532 1321 S HA 0.910 5.381 4.470 0.000 0.000 0.299 1321 S C -0.797 173.816 174.600 0.021 0.000 1.105 1321 S CA -0.753 57.456 58.200 0.015 0.000 1.018 1321 S CB 1.688 64.893 63.200 0.008 0.000 1.021 1321 S HN 0.448 nan 8.310 nan 0.000 0.483 1322 V N 2.265 122.199 119.914 0.033 0.000 2.823 1322 V HA 0.800 4.920 4.120 0.000 0.000 0.312 1322 V C -0.863 175.255 176.094 0.040 0.000 1.072 1322 V CA -0.658 61.669 62.300 0.044 0.000 0.937 1322 V CB 2.002 33.876 31.823 0.086 0.000 1.013 1322 V HN 0.855 nan 8.190 nan 0.000 0.430 1323 V N 2.353 122.289 119.914 0.036 0.000 2.697 1323 V HA 0.425 4.545 4.120 0.000 0.000 0.300 1323 V C -0.017 176.103 176.094 0.044 0.000 1.115 1323 V CA -0.451 61.872 62.300 0.039 0.000 0.912 1323 V CB 2.524 34.364 31.823 0.027 0.000 1.024 1323 V HN 1.065 nan 8.190 nan 0.000 0.431 1324 T N 2.735 117.328 114.554 0.066 0.000 2.913 1324 T HA 0.793 5.143 4.350 0.000 0.000 0.287 1324 T C -0.420 174.355 174.700 0.124 0.000 1.008 1324 T CA -0.495 61.656 62.100 0.085 0.000 1.067 1324 T CB 1.592 70.510 68.868 0.083 0.000 0.996 1324 T HN 0.609 nan 8.240 nan 0.000 0.513 1325 M N 3.354 123.021 119.600 0.112 0.000 2.267 1325 M HA 0.572 5.052 4.480 0.000 0.000 0.289 1325 M C -1.719 174.621 176.300 0.065 0.000 1.043 1325 M CA -0.793 54.539 55.300 0.053 0.000 0.928 1325 M CB 1.404 33.974 32.600 -0.050 0.000 1.613 1325 M HN 0.971 nan 8.290 nan 0.000 0.450 1326 Y N -0.006 120.211 120.300 -0.139 0.000 3.059 1326 Y HA 0.620 5.170 4.550 0.000 0.000 0.301 1326 Y C -1.353 174.393 175.900 -0.258 0.000 1.677 1326 Y CA -1.150 56.864 58.100 -0.145 0.000 1.079 1326 Y CB 1.071 39.507 38.460 -0.041 0.000 1.534 1326 Y HN 0.494 nan 8.280 nan 0.000 0.473 1327 H N 1.218 120.341 119.070 0.089 0.000 2.786 1327 H HA 0.695 5.252 4.556 0.000 0.000 0.284 1327 H C -0.252 175.156 175.328 0.133 0.000 1.104 1327 H CA -0.524 55.506 56.048 -0.029 0.000 1.339 1327 H CB 1.212 30.991 29.762 0.028 0.000 1.427 1327 H HN 0.957 nan 8.280 nan 0.000 0.497 1335 T N -1.502 113.087 114.554 0.058 0.000 2.996 1335 T HA -0.110 4.240 4.350 0.000 0.000 0.271 1335 T C 1.649 176.399 174.700 0.083 0.000 1.126 1335 T CA 1.416 63.556 62.100 0.067 0.000 1.103 1335 T CB -0.439 68.472 68.868 0.072 0.000 0.870 1335 T HN 0.636 nan 8.240 nan 0.000 0.528 1336 c N 1.631 120.284 118.600 0.088 0.000 2.475 1336 c HA 0.112 4.682 4.570 0.000 0.000 0.279 1336 c C 1.027 175.201 174.090 0.139 0.000 1.322 1336 c CA -0.282 56.120 56.329 0.121 0.000 1.734 1336 c CB -1.563 41.011 42.510 0.108 0.000 2.005 1336 c HN 0.794 nan 8.230 nan 0.000 0.495 1337 N N 1.279 120.030 118.700 0.085 0.000 2.676 1337 N HA -0.228 4.512 4.740 0.000 0.000 0.290 1337 N C -0.021 175.513 175.510 0.039 0.000 1.109 1337 N CA 0.704 53.791 53.050 0.061 0.000 0.779 1337 N CB -1.324 37.213 38.487 0.083 0.000 0.947 1337 N HN 0.717 nan 8.380 nan 0.000 0.566 1338 K N -1.952 118.405 120.400 -0.071 0.000 3.291 1338 K HA -0.211 4.109 4.320 0.000 0.000 0.290 1338 K C -1.035 175.290 176.600 -0.459 0.000 1.235 1338 K CA 0.944 57.038 56.287 -0.321 0.000 0.848 1338 K CB -1.836 30.375 32.500 -0.482 0.000 1.295 1338 K HN 0.536 nan 8.250 nan 0.000 0.497 1339 F N 0.907 120.845 119.950 -0.018 0.000 2.941 1339 F HA 0.190 4.717 4.527 0.000 0.000 0.359 1339 F C -0.210 175.620 175.800 0.050 0.000 1.231 1339 F CA -1.117 56.918 58.000 0.058 0.000 1.089 1339 F CB 1.206 40.275 39.000 0.115 0.000 1.407 1339 F HN -0.153 nan 8.300 nan 0.000 0.538 1340 D N 3.468 123.999 120.400 0.219 0.000 2.345 1340 D HA 0.443 5.083 4.640 0.000 0.000 0.247 1340 D C -0.883 175.518 176.300 0.168 0.000 1.108 1340 D CA 0.235 54.327 54.000 0.153 0.000 0.894 1340 D CB 1.997 42.852 40.800 0.092 0.000 1.203 1340 D HN 0.260 nan 8.370 nan 0.000 0.430 1341 L N 2.052 123.345 121.223 0.116 0.000 2.455 1341 L HA 0.418 4.758 4.340 0.000 0.000 0.264 1341 L C -1.476 175.430 176.870 0.061 0.000 0.968 1341 L CA -0.553 54.338 54.840 0.085 0.000 0.827 1341 L CB 1.863 43.966 42.059 0.072 0.000 1.317 1341 L HN 0.158 nan 8.230 nan 0.000 0.407 1342 K N 3.660 124.083 120.400 0.039 0.000 2.668 1342 K HA 0.642 4.962 4.320 0.000 0.000 0.246 1342 K C -1.616 174.980 176.600 -0.006 0.000 0.976 1342 K CA -0.288 56.015 56.287 0.025 0.000 0.902 1342 K CB 2.117 34.629 32.500 0.021 0.000 1.172 1342 K HN 0.279 nan 8.250 nan 0.000 0.452 1343 V N 2.690 122.604 119.914 0.000 0.000 2.347 1343 V HA 0.479 4.599 4.120 0.000 0.000 0.280 1343 V C -0.240 175.811 176.094 -0.072 0.000 1.021 1343 V CA -0.612 61.651 62.300 -0.062 0.000 0.847 1343 V CB 1.548 33.362 31.823 -0.014 0.000 0.990 1343 V HN 0.712 nan 8.190 nan 0.000 0.444 1344 T N 5.815 120.273 114.554 -0.159 0.000 2.888 1344 T HA 0.741 5.091 4.350 0.000 0.000 0.284 1344 T C -0.706 173.875 174.700 -0.198 0.000 1.017 1344 T CA -0.319 61.706 62.100 -0.124 0.000 1.022 1344 T CB 1.964 70.772 68.868 -0.100 0.000 1.013 1344 T HN 0.491 nan 8.240 nan 0.000 0.465 1345 I N 2.906 123.411 120.570 -0.108 0.000 2.500 1345 I HA 0.463 4.634 4.170 0.000 0.000 0.286 1345 I C -1.293 174.785 176.117 -0.065 0.000 1.063 1345 I CA -0.450 60.783 61.300 -0.112 0.000 1.062 1345 I CB 0.891 38.878 38.000 -0.021 0.000 1.223 1345 I HN 0.545 nan 8.210 nan 0.000 0.435 1346 K N 7.108 127.460 120.400 -0.080 0.000 2.395 1346 K HA 0.752 5.073 4.320 0.000 0.000 0.247 1346 K C -2.798 173.781 176.600 -0.035 0.000 0.973 1346 K CA -1.861 54.399 56.287 -0.045 0.000 0.828 1346 K CB 1.194 33.669 32.500 -0.042 0.000 1.272 1346 K HN 0.196 nan 8.250 nan 0.000 0.439 1347 P HA 0.151 nan 4.420 nan 0.000 0.277 1347 P C -0.964 176.345 177.300 0.015 0.000 1.240 1347 P CA -0.396 62.714 63.100 0.016 0.000 0.798 1347 P CB 1.017 32.735 31.700 0.030 0.000 0.979 1361 T N 0.344 115.028 114.554 0.217 0.000 2.814 1361 T HA 0.429 4.779 4.350 0.000 0.000 0.297 1361 T C 0.461 175.285 174.700 0.206 0.000 0.956 1361 T CA -0.035 62.234 62.100 0.281 0.000 1.123 1361 T CB 0.264 69.332 68.868 0.333 0.000 0.902 1361 T HN 0.161 nan 8.240 nan 0.000 0.528 1362 M N 3.984 123.714 119.600 0.217 0.000 2.753 1362 M HA 0.575 5.055 4.480 0.000 0.000 0.299 1362 M C -0.454 175.822 176.300 -0.041 0.000 1.219 1362 M CA -1.095 54.239 55.300 0.058 0.000 0.900 1362 M CB 1.843 34.439 32.600 -0.008 0.000 1.628 1362 M HN 0.511 nan 8.290 nan 0.000 0.502 1363 I N 1.750 122.255 120.570 -0.107 0.000 2.447 1363 I HA 0.322 4.493 4.170 0.000 0.000 0.287 1363 I C -1.216 174.728 176.117 -0.288 0.000 1.023 1363 I CA -0.770 60.419 61.300 -0.184 0.000 1.083 1363 I CB 2.012 39.940 38.000 -0.120 0.000 1.245 1363 I HN 0.408 nan 8.210 nan 0.000 0.434 1364 L N 6.577 127.511 121.223 -0.483 0.000 2.360 1364 L HA 0.558 4.898 4.340 0.000 0.000 0.271 1364 L C -0.547 176.022 176.870 -0.503 0.000 1.057 1364 L CA 0.214 54.697 54.840 -0.595 0.000 0.803 1364 L CB 1.399 42.940 42.059 -0.863 0.000 1.207 1364 L HN 0.609 nan 8.230 nan 0.000 0.445 1365 E N 3.622 123.584 120.200 -0.397 0.000 2.287 1365 E HA 0.486 4.836 4.350 0.000 0.000 0.274 1365 E C -1.674 174.806 176.600 -0.201 0.000 0.896 1365 E CA -0.358 55.893 56.400 -0.248 0.000 0.788 1365 E CB 1.389 30.990 29.700 -0.166 0.000 1.244 1365 E HN 0.576 nan 8.360 nan 0.000 0.408 1366 I N 2.757 123.245 120.570 -0.137 0.000 2.474 1366 I HA 0.459 4.629 4.170 0.000 0.000 0.294 1366 I C -0.650 175.448 176.117 -0.032 0.000 1.005 1366 I CA -0.925 60.323 61.300 -0.087 0.000 1.113 1366 I CB 1.861 39.820 38.000 -0.069 0.000 1.289 1366 I HN 0.468 nan 8.210 nan 0.000 0.436 1367 c N 3.603 122.198 118.600 -0.009 0.000 2.340 1367 c HA 0.667 5.237 4.570 0.000 0.000 0.323 1367 c C 0.282 174.405 174.090 0.055 0.000 1.260 1367 c CA -0.281 56.061 56.329 0.021 0.000 1.464 1367 c CB 1.224 43.744 42.510 0.017 0.000 2.156 1367 c HN 0.773 nan 8.230 nan 0.000 0.476 1368 T N 4.086 118.690 114.554 0.084 0.000 2.886 1368 T HA 0.645 4.995 4.350 0.000 0.000 0.292 1368 T C -0.999 173.810 174.700 0.180 0.000 1.012 1368 T CA -0.427 61.764 62.100 0.152 0.000 0.982 1368 T CB 0.794 69.764 68.868 0.169 0.000 1.018 1368 T HN 0.806 nan 8.240 nan 0.000 0.451 1369 R N 2.821 123.448 120.500 0.213 0.000 2.673 1369 R HA 0.427 4.767 4.340 0.000 0.000 0.281 1369 R C -1.853 174.540 176.300 0.156 0.000 0.991 1369 R CA -0.797 55.406 56.100 0.172 0.000 0.896 1369 R CB 1.542 31.898 30.300 0.092 0.000 1.201 1369 R HN 0.668 nan 8.270 nan 0.000 0.457 1370 Y N 3.010 123.283 120.300 -0.047 0.000 2.365 1370 Y HA 0.227 4.777 4.550 0.000 0.000 0.340 1370 Y C 0.257 176.054 175.900 -0.172 0.000 1.016 1370 Y CA -0.272 57.646 58.100 -0.305 0.000 1.196 1370 Y CB 0.881 39.197 38.460 -0.240 0.000 1.167 1370 Y HN 0.479 nan 8.280 nan 0.000 0.509 1371 R N 4.409 124.501 120.500 -0.679 0.000 4.624 1371 R HA 0.216 4.556 4.340 0.000 0.000 0.214 1371 R C 0.206 176.169 176.300 -0.560 0.000 2.026 1371 R CA 0.136 55.965 56.100 -0.452 0.000 1.676 1371 R CB -0.455 29.648 30.300 -0.328 0.000 1.291 1371 R HN 0.772 nan 8.270 nan 0.000 0.739 1372 G N -0.661 107.856 108.800 -0.472 0.000 2.568 1372 G HA2 0.146 4.106 3.960 0.000 0.000 0.313 1372 G HA3 0.146 4.106 3.960 0.000 0.000 0.313 1372 G C -0.289 174.613 174.900 0.004 0.000 1.227 1372 G CA -0.601 44.402 45.100 -0.162 0.000 0.979 1372 G HN 0.036 nan 8.290 nan 0.000 0.486 1373 D N -0.534 119.840 120.400 -0.044 0.000 2.289 1373 D HA 0.052 4.692 4.640 0.000 0.000 0.207 1373 D C 0.677 176.690 176.300 -0.479 0.000 0.966 1373 D CA 0.804 54.720 54.000 -0.141 0.000 0.868 1373 D CB 0.341 41.102 40.800 -0.065 0.000 0.943 1373 D HN 0.173 nan 8.370 nan 0.000 0.514 1374 Q N 1.292 120.948 119.800 -0.240 0.000 2.241 1374 Q HA 0.225 4.565 4.340 0.000 0.000 0.254 1374 Q C -0.744 175.174 176.000 -0.138 0.000 0.917 1374 Q CA -0.487 55.176 55.803 -0.234 0.000 0.919 1374 Q CB 1.050 29.739 28.738 -0.081 0.000 1.237 1374 Q HN 0.024 nan 8.270 nan 0.000 0.434 1375 D N 1.586 121.910 120.400 -0.127 0.000 2.426 1375 D HA 0.186 4.827 4.640 0.000 0.000 0.261 1375 D C 0.143 176.394 176.300 -0.081 0.000 1.245 1375 D CA 0.229 54.249 54.000 0.033 0.000 0.917 1375 D CB 0.239 41.096 40.800 0.095 0.000 1.123 1375 D HN 0.520 nan 8.370 nan 0.000 0.508 1376 A N 3.109 125.752 122.820 -0.295 0.000 2.547 1376 A HA 0.310 4.630 4.320 0.000 0.000 0.233 1376 A C 1.177 178.677 177.584 -0.140 0.000 1.067 1376 A CA -0.138 51.552 52.037 -0.579 0.000 0.763 1376 A CB -0.037 18.099 19.000 -1.440 0.000 1.007 1376 A HN 0.612 nan 8.150 nan 0.000 0.506 1377 T N 0.452 115.025 114.554 0.031 0.000 2.801 1377 T HA 0.364 4.714 4.350 0.000 0.000 0.324 1377 T C 0.768 175.571 174.700 0.172 0.000 1.088 1377 T CA -0.346 61.846 62.100 0.154 0.000 0.975 1377 T CB 0.044 69.100 68.868 0.314 0.000 1.316 1377 T HN 0.667 nan 8.240 nan 0.000 0.533 1378 M N 1.942 121.624 119.600 0.136 0.000 2.603 1378 M HA 0.029 4.509 4.480 0.000 0.000 0.399 1378 M C -0.443 175.921 176.300 0.107 0.000 1.745 1378 M CA 0.430 55.749 55.300 0.031 0.000 1.055 1378 M CB -0.757 31.721 32.600 -0.203 0.000 2.144 1378 M HN 0.642 nan 8.290 nan 0.000 0.483 1379 S N 4.304 120.030 115.700 0.043 0.000 2.767 1379 S HA 0.826 5.296 4.470 0.000 0.000 0.300 1379 S C -0.591 173.935 174.600 -0.123 0.000 1.123 1379 S CA -0.773 57.395 58.200 -0.054 0.000 0.992 1379 S CB 1.258 64.438 63.200 -0.032 0.000 1.138 1379 S HN 0.613 nan 8.310 nan 0.000 0.550 1380 I N 0.527 120.901 120.570 -0.328 0.000 2.934 1380 I HA 0.466 4.636 4.170 0.000 0.000 0.306 1380 I C -1.142 174.770 176.117 -0.343 0.000 1.110 1380 I CA -0.274 60.828 61.300 -0.330 0.000 1.019 1380 I CB 1.567 39.275 38.000 -0.486 0.000 1.227 1380 I HN 0.363 nan 8.210 nan 0.000 0.434 1381 L N 3.429 124.491 121.223 -0.269 0.000 2.457 1381 L HA 0.372 4.712 4.340 0.000 0.000 0.252 1381 L C -0.972 175.798 176.870 -0.166 0.000 1.132 1381 L CA -0.466 54.259 54.840 -0.192 0.000 0.938 1381 L CB 0.831 42.806 42.059 -0.140 0.000 1.246 1381 L HN 0.497 nan 8.230 nan 0.000 0.476 1382 D N 3.250 123.587 120.400 -0.104 0.000 2.390 1382 D HA 0.414 5.054 4.640 0.000 0.000 0.249 1382 D C -0.470 175.804 176.300 -0.044 0.000 1.144 1382 D CA 0.483 54.452 54.000 -0.053 0.000 0.880 1382 D CB 1.054 41.876 40.800 0.038 0.000 1.182 1382 D HN 0.252 nan 8.370 nan 0.000 0.451 1383 I N 2.036 122.583 120.570 -0.039 0.000 2.534 1383 I HA 0.106 4.276 4.170 0.000 0.000 0.286 1383 I C -0.534 175.586 176.117 0.005 0.000 1.094 1383 I CA -0.765 60.538 61.300 0.004 0.000 1.055 1383 I CB 1.864 39.890 38.000 0.044 0.000 1.225 1383 I HN 0.235 nan 8.210 nan 0.000 0.435 1384 S N 7.651 123.351 115.700 0.000 0.000 2.498 1384 S HA 0.568 5.038 4.470 0.000 0.000 0.324 1384 S C -0.025 174.576 174.600 0.001 0.000 1.071 1384 S CA -0.859 57.334 58.200 -0.011 0.000 1.113 1384 S CB 1.006 64.182 63.200 -0.040 0.000 0.976 1384 S HN 0.455 nan 8.310 nan 0.000 0.462 1385 M N 3.186 122.807 119.600 0.035 0.000 2.198 1385 M HA 0.181 4.662 4.480 0.000 0.000 0.292 1385 M C 0.641 176.931 176.300 -0.018 0.000 1.150 1385 M CA 0.632 55.967 55.300 0.059 0.000 1.168 1385 M CB -0.176 32.497 32.600 0.122 0.000 1.388 1385 M HN 0.663 nan 8.290 nan 0.000 0.447 1386 M N 0.297 119.864 119.600 -0.056 0.000 2.241 1386 M HA 0.096 4.576 4.480 0.000 0.000 0.335 1386 M C 0.647 176.987 176.300 0.066 0.000 1.122 1386 M CA -0.102 55.149 55.300 -0.083 0.000 1.164 1386 M CB 0.381 32.833 32.600 -0.248 0.000 1.459 1386 M HN 0.613 nan 8.290 nan 0.000 0.461 1387 T N 1.352 115.951 114.554 0.075 0.000 2.751 1387 T HA 0.340 4.691 4.350 0.000 0.000 0.279 1387 T C 0.821 175.624 174.700 0.173 0.000 0.941 1387 T CA 1.098 63.251 62.100 0.089 0.000 1.192 1387 T CB -0.787 68.132 68.868 0.085 0.000 0.883 1387 T HN 0.952 nan 8.240 nan 0.000 0.534 1388 G N 4.084 112.941 108.800 0.095 0.000 2.148 1388 G HA2 -0.057 3.903 3.960 0.000 0.000 0.120 1388 G HA3 -0.057 3.903 3.960 0.000 0.000 0.120 1388 G C -0.277 174.459 174.900 -0.273 0.000 1.034 1388 G CA -0.650 44.406 45.100 -0.073 0.000 0.710 1388 G HN 0.656 nan 8.290 nan 0.000 0.495 1389 F N 0.513 120.428 119.950 -0.058 0.000 2.561 1389 F HA 0.736 5.263 4.527 0.000 0.000 0.313 1389 F C 0.229 176.178 175.800 0.248 0.000 1.126 1389 F CA -0.431 57.645 58.000 0.127 0.000 0.918 1389 F CB 2.467 41.520 39.000 0.088 0.000 1.199 1389 F HN 0.354 nan 8.300 nan 0.000 0.444 1390 A N 4.207 127.272 122.820 0.408 0.000 2.355 1390 A HA 0.877 5.197 4.320 0.000 0.000 0.317 1390 A C -2.931 174.505 177.584 -0.246 0.000 1.094 1390 A CA -2.063 49.972 52.037 -0.003 0.000 0.764 1390 A CB 1.272 20.022 19.000 -0.417 0.000 1.230 1390 A HN 0.369 nan 8.150 nan 0.000 0.448 1391 P HA 0.127 nan 4.420 nan 0.000 0.268 1391 P C -0.679 176.468 177.300 -0.255 0.000 1.205 1391 P CA 0.114 63.141 63.100 -0.122 0.000 0.771 1391 P CB 0.485 32.090 31.700 -0.157 0.000 0.858 1392 D N 1.463 121.816 120.400 -0.078 0.000 2.389 1392 D HA -0.022 4.618 4.640 0.000 0.000 0.263 1392 D C 0.615 176.953 176.300 0.064 0.000 1.255 1392 D CA 0.281 54.324 54.000 0.071 0.000 0.914 1392 D CB 0.012 40.848 40.800 0.061 0.000 1.116 1392 D HN 0.258 nan 8.370 nan 0.000 0.502 1393 T N 0.766 115.398 114.554 0.131 0.000 3.309 1393 T HA -0.116 4.234 4.350 0.000 0.000 0.265 1393 T C 0.599 175.330 174.700 0.051 0.000 1.194 1393 T CA 0.303 62.441 62.100 0.065 0.000 1.037 1393 T CB -0.016 68.930 68.868 0.130 0.000 0.917 1393 T HN 0.311 nan 8.240 nan 0.000 0.558 1394 D N 0.171 120.611 120.400 0.068 0.000 2.469 1394 D HA 0.145 4.785 4.640 0.000 0.000 0.213 1394 D C 0.413 176.732 176.300 0.032 0.000 1.135 1394 D CA -0.066 53.965 54.000 0.052 0.000 0.834 1394 D CB 0.478 41.326 40.800 0.080 0.000 1.009 1394 D HN 0.217 nan 8.370 nan 0.000 0.507 1395 D N -0.315 120.094 120.400 0.015 0.000 2.527 1395 D HA 0.161 4.801 4.640 0.000 0.000 0.224 1395 D C 1.529 177.788 176.300 -0.069 0.000 1.217 1395 D CA -0.137 53.870 54.000 0.011 0.000 0.819 1395 D CB 0.973 41.821 40.800 0.080 0.000 1.061 1395 D HN 0.157 nan 8.370 nan 0.000 0.515 1396 L N -0.068 121.085 121.223 -0.116 0.000 2.607 1396 L HA 0.136 4.476 4.340 0.000 0.000 0.228 1396 L C 0.780 177.572 176.870 -0.131 0.000 1.123 1396 L CA 0.664 55.390 54.840 -0.190 0.000 0.890 1396 L CB 0.460 42.388 42.059 -0.218 0.000 1.103 1396 L HN -0.200 nan 8.230 nan 0.000 0.468 1397 K N -1.293 119.061 120.400 -0.076 0.000 2.477 1397 K HA 0.081 4.402 4.320 0.000 0.000 0.208 1397 K C 1.177 177.762 176.600 -0.026 0.000 1.117 1397 K CA -0.006 56.250 56.287 -0.052 0.000 1.039 1397 K CB 0.589 33.066 32.500 -0.038 0.000 0.937 1397 K HN -0.140 nan 8.250 nan 0.000 0.570 1398 Q N 0.189 119.977 119.800 -0.021 0.000 2.384 1398 Q HA 0.258 4.598 4.340 0.000 0.000 0.207 1398 Q C 0.685 176.683 176.000 -0.002 0.000 0.904 1398 Q CA 0.834 56.636 55.803 -0.002 0.000 0.933 1398 Q CB 0.425 29.170 28.738 0.010 0.000 1.077 1398 Q HN 0.283 nan 8.270 nan 0.000 0.522 1399 L N -1.351 119.860 121.223 -0.021 0.000 2.817 1399 L HA 0.475 4.815 4.340 0.000 0.000 0.248 1399 L C 1.445 178.303 176.870 -0.020 0.000 1.133 1399 L CA 0.522 55.352 54.840 -0.017 0.000 0.935 1399 L CB 0.250 42.290 42.059 -0.032 0.000 1.266 1399 L HN 0.090 nan 8.230 nan 0.000 0.535 1400 A N 0.148 122.948 122.820 -0.034 0.000 2.195 1400 A HA 0.063 4.383 4.320 0.000 0.000 0.210 1400 A C 1.647 179.249 177.584 0.029 0.000 1.165 1400 A CA 0.524 52.545 52.037 -0.026 0.000 0.806 1400 A CB -0.280 18.668 19.000 -0.088 0.000 0.847 1400 A HN 0.446 nan 8.150 nan 0.000 0.482 1401 N N 0.007 118.719 118.700 0.021 0.000 2.439 1401 N HA 0.094 4.834 4.740 0.000 0.000 0.176 1401 N C 1.126 176.657 175.510 0.035 0.000 1.029 1401 N CA 0.168 53.237 53.050 0.031 0.000 0.886 1401 N CB -0.074 38.424 38.487 0.019 0.000 1.057 1401 N HN 0.384 nan 8.380 nan 0.000 0.437 1402 G N 1.865 110.682 108.800 0.029 0.000 2.321 1402 G HA2 0.145 4.106 3.960 0.000 0.000 0.237 1402 G HA3 0.145 4.106 3.960 0.000 0.000 0.237 1402 G C 0.284 175.209 174.900 0.041 0.000 1.282 1402 G CA -0.154 44.964 45.100 0.031 0.000 0.886 1402 G HN 0.022 nan 8.290 nan 0.000 0.528 1403 V N 2.606 122.541 119.914 0.035 0.000 3.566 1403 V HA 0.113 4.233 4.120 0.000 0.000 0.301 1403 V C 1.332 177.450 176.094 0.040 0.000 1.105 1403 V CA 1.338 63.660 62.300 0.036 0.000 1.142 1403 V CB 0.516 32.353 31.823 0.024 0.000 1.107 1403 V HN 1.048 nan 8.190 nan 0.000 0.481 1404 D N 0.240 120.663 120.400 0.038 0.000 2.978 1404 D HA -0.159 4.481 4.640 0.000 0.000 0.205 1404 D C 0.285 176.621 176.300 0.060 0.000 1.093 1404 D CA 1.804 55.829 54.000 0.041 0.000 1.006 1404 D CB -0.547 40.275 40.800 0.037 0.000 1.116 1404 D HN 0.696 nan 8.370 nan 0.000 0.419 1405 R N -1.305 119.242 120.500 0.079 0.000 2.799 1405 R HA 0.654 4.994 4.340 0.000 0.000 0.270 1405 R C -1.559 174.860 176.300 0.197 0.000 1.010 1405 R CA -0.807 55.358 56.100 0.108 0.000 0.916 1405 R CB 2.331 32.666 30.300 0.058 0.000 1.228 1405 R HN 0.040 nan 8.270 nan 0.000 0.469 1406 Y N 1.031 121.361 120.300 0.050 0.000 2.558 1406 Y HA 0.491 5.041 4.550 0.000 0.000 0.333 1406 Y C -1.798 174.165 175.900 0.104 0.000 1.125 1406 Y CA -0.726 57.421 58.100 0.078 0.000 1.039 1406 Y CB 1.482 39.999 38.460 0.096 0.000 1.331 1406 Y HN 0.479 nan 8.280 nan 0.000 0.456 1407 I N 5.485 125.607 120.570 -0.747 0.000 2.583 1407 I HA 0.186 4.356 4.170 0.000 0.000 0.276 1407 I C -0.316 175.278 176.117 -0.871 0.000 1.089 1407 I CA -0.800 60.137 61.300 -0.606 0.000 1.103 1407 I CB 1.405 39.207 38.000 -0.331 0.000 1.209 1407 I HN 0.742 nan 8.210 nan 0.000 0.484 1408 S N 4.589 119.787 115.700 -0.836 0.000 2.715 1408 S HA -0.151 4.319 4.470 0.000 0.000 0.318 1408 S C 1.209 175.741 174.600 -0.113 0.000 1.242 1408 S CA 0.093 58.115 58.200 -0.295 0.000 1.044 1408 S CB 0.639 63.961 63.200 0.203 0.000 0.760 1408 S HN 0.812 nan 8.310 nan 0.000 0.501 1409 K N 2.333 122.738 120.400 0.008 0.000 2.589 1409 K HA -0.181 4.140 4.320 0.000 0.000 0.195 1409 K C 0.910 177.531 176.600 0.036 0.000 1.042 1409 K CA 1.123 57.418 56.287 0.013 0.000 0.940 1409 K CB -0.285 32.248 32.500 0.055 0.000 0.776 1409 K HN 0.896 nan 8.250 nan 0.000 0.487 1410 Y N 0.471 120.761 120.300 -0.017 0.000 2.529 1410 Y HA -0.017 4.534 4.550 0.000 0.000 0.290 1410 Y C 1.191 177.070 175.900 -0.036 0.000 1.177 1410 Y CA 0.663 58.758 58.100 -0.008 0.000 1.305 1410 Y CB 0.391 38.865 38.460 0.023 0.000 1.047 1410 Y HN 0.117 nan 8.280 nan 0.000 0.522 1411 E N -1.373 118.806 120.200 -0.036 0.000 2.526 1411 E HA 0.122 4.472 4.350 0.000 0.000 0.208 1411 E C 1.098 177.615 176.600 -0.138 0.000 0.997 1411 E CA 0.208 56.554 56.400 -0.089 0.000 0.961 1411 E CB 0.161 29.803 29.700 -0.097 0.000 1.030 1411 E HN 0.278 nan 8.360 nan 0.000 0.483 1412 L N 0.634 121.775 121.223 -0.137 0.000 2.354 1412 L HA 0.147 4.487 4.340 0.000 0.000 0.212 1412 L C 0.295 177.085 176.870 -0.134 0.000 1.091 1412 L CA 0.830 55.599 54.840 -0.120 0.000 0.828 1412 L CB -0.362 41.642 42.059 -0.091 0.000 0.973 1412 L HN -0.005 nan 8.230 nan 0.000 0.461 1413 D N 0.334 120.616 120.400 -0.197 0.000 2.360 1413 D HA 0.144 4.784 4.640 0.000 0.000 0.242 1413 D C 0.940 177.113 176.300 -0.213 0.000 1.184 1413 D CA 0.042 53.905 54.000 -0.229 0.000 0.930 1413 D CB 0.733 41.309 40.800 -0.375 0.000 1.161 1413 D HN -0.009 nan 8.370 nan 0.000 0.447 1414 K N -0.239 120.062 120.400 -0.164 0.000 3.483 1414 K HA -0.258 4.063 4.320 0.000 0.000 0.288 1414 K C 0.970 177.518 176.600 -0.086 0.000 0.894 1414 K CA 1.379 57.594 56.287 -0.120 0.000 1.245 1414 K CB -1.435 30.986 32.500 -0.131 0.000 1.368 1414 K HN 0.652 nan 8.250 nan 0.000 0.477 1415 A N -0.752 122.016 122.820 -0.086 0.000 5.226 1415 A HA -0.346 3.974 4.320 0.000 0.000 0.286 1415 A C 0.960 178.516 177.584 -0.047 0.000 2.103 1415 A CA 1.913 53.927 52.037 -0.039 0.000 0.716 1415 A CB -1.871 17.132 19.000 0.004 0.000 1.182 1415 A HN 0.390 nan 8.150 nan 0.000 0.350 1416 F N -0.143 119.708 119.950 -0.165 0.000 2.505 1416 F HA 0.220 4.748 4.527 0.000 0.000 0.289 1416 F C 2.751 178.269 175.800 -0.470 0.000 1.101 1416 F CA 1.889 59.742 58.000 -0.245 0.000 1.446 1416 F CB 0.277 39.145 39.000 -0.220 0.000 1.123 1416 F HN 0.549 nan 8.300 nan 0.000 0.564 1417 S N -0.480 115.115 115.700 -0.174 0.000 2.329 1417 S HA -0.171 4.299 4.470 0.000 0.000 0.215 1417 S C 0.698 175.221 174.600 -0.128 0.000 1.031 1417 S CA 1.244 59.293 58.200 -0.251 0.000 0.985 1417 S CB -0.456 62.700 63.200 -0.074 0.000 0.917 1417 S HN 0.288 nan 8.310 nan 0.000 0.441 1418 D N 1.187 121.541 120.400 -0.077 0.000 2.524 1418 D HA 0.331 4.971 4.640 0.000 0.000 0.222 1418 D C -0.386 175.878 176.300 -0.059 0.000 1.142 1418 D CA -0.086 53.888 54.000 -0.043 0.000 0.973 1418 D CB -0.180 40.596 40.800 -0.040 0.000 1.025 1418 D HN 0.151 nan 8.370 nan 0.000 0.519 1419 R N 2.992 123.466 120.500 -0.043 0.000 3.189 1419 R HA 0.071 4.411 4.340 0.000 0.000 0.222 1419 R C -0.580 175.713 176.300 -0.012 0.000 1.735 1419 R CA -0.194 55.874 56.100 -0.054 0.000 1.129 1419 R CB -0.019 30.213 30.300 -0.113 0.000 1.549 1419 R HN 0.309 nan 8.270 nan 0.000 0.525 1420 N N -0.500 118.197 118.700 -0.005 0.000 2.170 1420 N HA -0.002 4.738 4.740 0.000 0.000 0.222 1420 N C -0.761 174.742 175.510 -0.013 0.000 1.218 1420 N CA -0.180 52.875 53.050 0.009 0.000 0.889 1420 N CB 1.246 39.736 38.487 0.005 0.000 1.083 1420 N HN 0.270 nan 8.380 nan 0.000 0.520 1421 T N -1.560 112.979 114.554 -0.025 0.000 3.187 1421 T HA 0.456 4.806 4.350 0.000 0.000 0.328 1421 T C -0.787 173.887 174.700 -0.044 0.000 0.951 1421 T CA -0.854 61.228 62.100 -0.030 0.000 1.049 1421 T CB 0.682 69.529 68.868 -0.035 0.000 1.015 1421 T HN 0.084 nan 8.240 nan 0.000 0.461 1422 L N 3.473 124.659 121.223 -0.062 0.000 2.439 1422 L HA 0.762 5.102 4.340 0.000 0.000 0.259 1422 L C -0.673 176.101 176.870 -0.159 0.000 1.129 1422 L CA -0.914 53.855 54.840 -0.117 0.000 0.803 1422 L CB 0.710 42.675 42.059 -0.156 0.000 1.161 1422 L HN 0.749 nan 8.230 nan 0.000 0.462 1423 I N 4.640 125.061 120.570 -0.248 0.000 2.560 1423 I HA 0.299 4.469 4.170 0.000 0.000 0.278 1423 I C -0.965 174.762 176.117 -0.650 0.000 1.089 1423 I CA -0.193 60.840 61.300 -0.446 0.000 1.086 1423 I CB 0.942 38.673 38.000 -0.448 0.000 1.202 1423 I HN 0.405 nan 8.210 nan 0.000 0.471 1424 I N 5.610 125.884 120.570 -0.493 0.000 2.282 1424 I HA 0.239 4.409 4.170 0.000 0.000 0.290 1424 I C -0.512 175.422 176.117 -0.305 0.000 1.090 1424 I CA -0.512 60.571 61.300 -0.362 0.000 1.231 1424 I CB 0.247 38.120 38.000 -0.211 0.000 1.434 1424 I HN 0.404 nan 8.210 nan 0.000 0.487 1425 Y N 6.451 126.750 120.300 -0.002 0.000 2.496 1425 Y HA 0.274 4.824 4.550 0.000 0.000 0.334 1425 Y C 0.343 176.254 175.900 0.020 0.000 1.080 1425 Y CA -0.274 57.840 58.100 0.022 0.000 1.355 1425 Y CB 0.378 38.910 38.460 0.120 0.000 1.193 1425 Y HN 0.364 nan 8.280 nan 0.000 0.523 1426 L N 3.752 125.037 121.223 0.104 0.000 2.322 1426 L HA 0.296 4.636 4.340 0.000 0.000 0.279 1426 L C 0.061 176.964 176.870 0.055 0.000 1.036 1426 L CA -0.545 54.334 54.840 0.064 0.000 0.807 1426 L CB 1.438 43.514 42.059 0.030 0.000 1.226 1426 L HN 0.624 nan 8.230 nan 0.000 0.433 1427 D N 1.135 121.562 120.400 0.045 0.000 2.350 1427 D HA 0.055 4.695 4.640 0.000 0.000 0.213 1427 D C -0.207 176.108 176.300 0.026 0.000 1.031 1427 D CA 0.655 54.666 54.000 0.020 0.000 0.861 1427 D CB 0.390 41.195 40.800 0.009 0.000 0.926 1427 D HN 0.458 nan 8.370 nan 0.000 0.520 1428 K N -1.138 119.287 120.400 0.042 0.000 2.622 1428 K HA 0.330 4.651 4.320 0.000 0.000 0.263 1428 K C -1.377 175.268 176.600 0.075 0.000 0.947 1428 K CA -0.908 55.409 56.287 0.050 0.000 0.885 1428 K CB 1.083 33.609 32.500 0.043 0.000 1.362 1428 K HN -0.176 nan 8.250 nan 0.000 0.413 1429 V N -0.293 119.679 119.914 0.096 0.000 2.266 1429 V HA 0.395 4.515 4.120 0.000 0.000 0.271 1429 V C 0.368 176.562 176.094 0.166 0.000 1.032 1429 V CA -0.610 61.781 62.300 0.152 0.000 0.806 1429 V CB 0.749 32.736 31.823 0.273 0.000 1.052 1429 V HN 0.835 nan 8.190 nan 0.000 0.449 1430 S N 2.711 118.498 115.700 0.145 0.000 2.550 1430 S HA 0.010 4.480 4.470 0.000 0.000 0.285 1430 S C 1.271 176.004 174.600 0.222 0.000 1.326 1430 S CA 1.105 59.412 58.200 0.177 0.000 1.037 1430 S CB 0.205 63.463 63.200 0.097 0.000 0.838 1430 S HN 1.142 nan 8.310 nan 0.000 0.519 1431 H N 0.997 120.124 119.070 0.095 0.000 2.516 1431 H HA 0.286 4.843 4.556 0.000 0.000 0.284 1431 H C 2.037 177.393 175.328 0.046 0.000 0.999 1431 H CA 0.627 56.726 56.048 0.084 0.000 1.303 1431 H CB -0.458 29.359 29.762 0.092 0.000 1.452 1431 H HN 0.419 nan 8.280 nan 0.000 0.530 1432 S N 0.479 115.797 115.700 -0.637 0.000 2.392 1432 S HA -0.172 4.298 4.470 0.000 0.000 0.225 1432 S C 0.472 174.974 174.600 -0.163 0.000 1.041 1432 S CA 1.984 59.918 58.200 -0.444 0.000 1.100 1432 S CB -0.218 62.782 63.200 -0.335 0.000 1.029 1432 S HN 0.719 nan 8.310 nan 0.000 0.424 1433 E N 0.528 120.676 120.200 -0.087 0.000 2.393 1433 E HA 0.562 4.912 4.350 0.000 0.000 0.265 1433 E C -1.794 174.812 176.600 0.010 0.000 0.941 1433 E CA -1.041 55.340 56.400 -0.030 0.000 0.801 1433 E CB 0.117 29.802 29.700 -0.026 0.000 1.313 1433 E HN -0.110 nan 8.360 nan 0.000 0.435 1434 D N 0.718 121.129 120.400 0.019 0.000 2.350 1434 D HA 0.238 4.878 4.640 0.000 0.000 0.249 1434 D C -0.729 175.592 176.300 0.036 0.000 1.119 1434 D CA 0.011 54.034 54.000 0.038 0.000 0.886 1434 D CB 0.409 41.229 40.800 0.033 0.000 1.195 1434 D HN 0.233 nan 8.370 nan 0.000 0.437 1435 D N 1.748 122.178 120.400 0.050 0.000 2.427 1435 D HA 0.211 4.851 4.640 0.000 0.000 0.226 1435 D C -0.490 175.832 176.300 0.036 0.000 1.076 1435 D CA -0.245 53.780 54.000 0.043 0.000 0.849 1435 D CB 0.772 41.605 40.800 0.055 0.000 1.052 1435 D HN 0.199 nan 8.370 nan 0.000 0.515 1436 c N 2.741 121.355 118.600 0.023 0.000 2.382 1436 c HA 0.693 5.263 4.570 0.000 0.000 0.327 1436 c C 0.233 174.330 174.090 0.011 0.000 1.250 1436 c CA -0.626 55.711 56.329 0.013 0.000 1.707 1436 c CB 0.150 42.661 42.510 0.001 0.000 2.272 1436 c HN 0.567 nan 8.230 nan 0.000 0.506 1437 L N 1.777 123.006 121.223 0.009 0.000 2.171 1437 L HA 1.139 5.479 4.340 0.000 0.000 0.253 1437 L C -0.272 176.598 176.870 -0.000 0.000 1.054 1437 L CA -0.846 54.007 54.840 0.022 0.000 0.927 1437 L CB 0.643 42.733 42.059 0.052 0.000 1.513 1437 L HN 0.833 nan 8.230 nan 0.000 0.471 1438 A N -0.431 122.410 122.820 0.035 0.000 2.594 1438 A HA 0.660 4.980 4.320 0.000 0.000 0.301 1438 A C -1.358 176.266 177.584 0.066 0.000 1.022 1438 A CA -0.381 51.628 52.037 -0.046 0.000 0.738 1438 A CB 0.172 19.113 19.000 -0.099 0.000 1.263 1438 A HN 1.273 nan 8.150 nan 0.000 0.409 1439 F N -0.224 119.679 119.950 -0.078 0.000 2.764 1439 F HA 0.911 5.438 4.527 0.000 0.000 0.347 1439 F C -0.316 175.436 175.800 -0.079 0.000 1.151 1439 F CA -1.200 56.757 58.000 -0.072 0.000 1.021 1439 F CB 1.082 40.037 39.000 -0.076 0.000 1.438 1439 F HN 0.455 nan 8.300 nan 0.000 0.516 1440 K N 1.147 121.634 120.400 0.145 0.000 2.207 1440 K HA 0.702 5.022 4.320 0.000 0.000 0.255 1440 K C -1.520 175.074 176.600 -0.010 0.000 0.941 1440 K CA -1.139 55.139 56.287 -0.015 0.000 0.825 1440 K CB 2.480 34.950 32.500 -0.050 0.000 1.119 1440 K HN 0.687 nan 8.250 nan 0.000 0.430 1441 V N -0.182 119.700 119.914 -0.053 0.000 2.482 1441 V HA 0.417 4.537 4.120 0.000 0.000 0.295 1441 V C -0.281 175.899 176.094 0.144 0.000 1.026 1441 V CA -0.903 61.441 62.300 0.072 0.000 0.856 1441 V CB 1.028 33.008 31.823 0.261 0.000 1.001 1441 V HN 0.712 nan 8.190 nan 0.000 0.424 1442 H N 3.121 122.385 119.070 0.323 0.000 2.548 1442 H HA 0.394 4.950 4.556 0.000 0.000 0.366 1442 H C -0.305 175.002 175.328 -0.035 0.000 1.433 1442 H CA -0.252 55.946 56.048 0.249 0.000 1.443 1442 H CB 1.157 31.137 29.762 0.364 0.000 1.594 1442 H HN 0.828 nan 8.280 nan 0.000 0.608 1443 Q N 1.500 121.285 119.800 -0.026 0.000 2.571 1443 Q HA 0.064 4.404 4.340 0.000 0.000 0.243 1443 Q C -0.291 175.637 176.000 -0.120 0.000 1.055 1443 Q CA -0.593 54.931 55.803 -0.465 0.000 0.815 1443 Q CB 0.108 28.596 28.738 -0.416 0.000 1.151 1443 Q HN 0.720 nan 8.270 nan 0.000 0.519 1444 Y N 2.358 122.615 120.300 -0.071 0.000 2.448 1444 Y HA 0.320 4.870 4.550 0.000 0.000 0.289 1444 Y C -0.641 175.316 175.900 0.095 0.000 1.114 1444 Y CA -0.241 57.903 58.100 0.073 0.000 1.235 1444 Y CB 0.421 39.036 38.460 0.258 0.000 1.045 1444 Y HN 0.318 nan 8.280 nan 0.000 0.554 1445 F N 3.019 122.623 119.950 -0.576 0.000 2.426 1445 F HA 0.382 4.910 4.527 0.000 0.000 0.348 1445 F C -0.452 175.199 175.800 -0.249 0.000 1.124 1445 F CA -1.486 56.275 58.000 -0.398 0.000 1.008 1445 F CB 0.827 39.519 39.000 -0.515 0.000 1.139 1445 F HN -0.022 nan 8.300 nan 0.000 0.452 1446 N N 4.677 123.189 118.700 -0.314 0.000 2.426 1446 N HA 0.562 5.302 4.740 0.000 0.000 0.275 1446 N C -1.612 173.840 175.510 -0.097 0.000 1.019 1446 N CA 0.150 53.099 53.050 -0.170 0.000 0.941 1446 N CB 1.440 39.819 38.487 -0.179 0.000 1.123 1446 N HN 0.479 nan 8.380 nan 0.000 0.486 1447 V N 1.973 121.898 119.914 0.017 0.000 3.204 1447 V HA 0.212 4.332 4.120 0.000 0.000 0.298 1447 V C -0.989 175.153 176.094 0.080 0.000 1.328 1447 V CA -0.962 61.379 62.300 0.068 0.000 1.035 1447 V CB 2.340 34.254 31.823 0.152 0.000 1.095 1447 V HN 0.776 nan 8.190 nan 0.000 0.442 1448 E N 3.879 124.128 120.200 0.082 0.000 2.249 1448 E HA 0.724 5.075 4.350 0.000 0.000 0.280 1448 E C -0.673 175.999 176.600 0.120 0.000 1.016 1448 E CA -0.481 55.972 56.400 0.089 0.000 0.830 1448 E CB 1.255 30.997 29.700 0.070 0.000 1.081 1448 E HN 0.617 nan 8.360 nan 0.000 0.395 1449 L N 2.707 124.006 121.223 0.126 0.000 3.386 1449 L HA -0.216 4.124 4.340 0.000 0.000 0.686 1449 L C -0.282 176.702 176.870 0.190 0.000 1.220 1449 L CA 0.033 54.962 54.840 0.149 0.000 1.165 1449 L CB -1.866 40.271 42.059 0.131 0.000 1.730 1449 L HN 0.722 nan 8.230 nan 0.000 0.889 1450 I N -1.493 119.195 120.570 0.198 0.000 3.079 1450 I HA 0.414 4.584 4.170 0.000 0.000 0.295 1450 I C 0.591 176.834 176.117 0.210 0.000 1.094 1450 I CA 0.055 61.459 61.300 0.172 0.000 1.295 1450 I CB 0.439 38.489 38.000 0.082 0.000 1.443 1450 I HN 0.406 nan 8.210 nan 0.000 0.607 1451 Q N 2.992 122.869 119.800 0.127 0.000 2.340 1451 Q HA 0.469 4.809 4.340 0.000 0.000 0.259 1451 Q C -2.416 173.615 176.000 0.053 0.000 0.964 1451 Q CA -2.092 53.779 55.803 0.115 0.000 0.900 1451 Q CB 1.211 30.021 28.738 0.120 0.000 1.228 1451 Q HN 0.467 nan 8.270 nan 0.000 0.449 1452 P HA -0.063 nan 4.420 nan 0.000 0.254 1452 P C -0.026 177.290 177.300 0.025 0.000 1.186 1452 P CA 0.400 63.571 63.100 0.117 0.000 0.868 1452 P CB 0.450 32.237 31.700 0.144 0.000 0.856 1453 G N 2.981 111.609 108.800 -0.286 0.000 2.522 1453 G HA2 0.495 4.456 3.960 0.000 0.000 0.223 1453 G HA3 0.495 4.456 3.960 0.000 0.000 0.223 1453 G C -0.241 174.484 174.900 -0.292 0.000 1.565 1453 G CA 0.418 45.332 45.100 -0.310 0.000 1.053 1453 G HN 0.702 nan 8.290 nan 0.000 0.547 1454 A N -3.886 118.765 122.820 -0.282 0.000 2.490 1454 A HA 0.577 4.897 4.320 0.000 0.000 0.292 1454 A C -1.792 175.759 177.584 -0.055 0.000 1.047 1454 A CA -0.177 51.656 52.037 -0.341 0.000 0.632 1454 A CB 0.911 19.505 19.000 -0.677 0.000 1.323 1454 A HN 1.534 nan 8.150 nan 0.000 0.448 1455 V N 0.993 120.833 119.914 -0.124 0.000 2.624 1455 V HA 0.474 4.594 4.120 0.000 0.000 0.294 1455 V C -0.532 175.513 176.094 -0.081 0.000 1.077 1455 V CA -0.394 61.877 62.300 -0.049 0.000 0.905 1455 V CB 1.666 33.486 31.823 -0.005 0.000 1.025 1455 V HN 0.990 nan 8.190 nan 0.000 0.440 1456 K N 4.157 124.523 120.400 -0.057 0.000 2.235 1456 K HA 0.785 5.105 4.320 0.000 0.000 0.266 1456 K C -0.769 175.816 176.600 -0.025 0.000 0.980 1456 K CA -0.580 55.696 56.287 -0.019 0.000 0.849 1456 K CB 1.943 34.465 32.500 0.036 0.000 1.098 1456 K HN 0.636 nan 8.250 nan 0.000 0.445 1457 V N 2.965 122.833 119.914 -0.078 0.000 2.350 1457 V HA 0.642 4.762 4.120 0.000 0.000 0.285 1457 V C -1.318 174.497 176.094 -0.464 0.000 1.014 1457 V CA -0.592 61.532 62.300 -0.293 0.000 0.831 1457 V CB -0.132 31.498 31.823 -0.322 0.000 1.000 1457 V HN 0.783 nan 8.190 nan 0.000 0.433 1458 Y N 2.926 122.907 120.300 -0.531 0.000 2.571 1458 Y HA 0.941 5.491 4.550 0.000 0.000 0.341 1458 Y C 0.021 175.727 175.900 -0.324 0.000 1.076 1458 Y CA -0.932 56.872 58.100 -0.494 0.000 1.029 1458 Y CB 1.142 39.458 38.460 -0.241 0.000 1.308 1458 Y HN 0.892 nan 8.280 nan 0.000 0.461 1459 A N 2.108 124.832 122.820 -0.161 0.000 2.346 1459 A HA 0.261 4.581 4.320 0.000 0.000 0.252 1459 A C 0.372 177.824 177.584 -0.219 0.000 1.089 1459 A CA -0.010 51.859 52.037 -0.279 0.000 0.797 1459 A CB -0.278 18.258 19.000 -0.772 0.000 1.047 1459 A HN 1.220 nan 8.150 nan 0.000 0.494 1460 Y N -0.539 119.624 120.300 -0.229 0.000 2.395 1460 Y HA -0.114 4.437 4.550 0.000 0.000 0.293 1460 Y C 1.542 177.470 175.900 0.046 0.000 1.123 1460 Y CA 1.352 59.447 58.100 -0.008 0.000 1.227 1460 Y CB -0.737 37.749 38.460 0.045 0.000 1.012 1460 Y HN 0.684 nan 8.280 nan 0.000 0.552 1461 Y N 0.029 119.930 120.300 -0.665 0.000 2.516 1461 Y HA 0.265 4.815 4.550 0.000 0.000 0.291 1461 Y C -0.223 175.582 175.900 -0.159 0.000 1.131 1461 Y CA -0.181 57.591 58.100 -0.546 0.000 1.281 1461 Y CB -0.509 37.588 38.460 -0.605 0.000 1.013 1461 Y HN 0.138 nan 8.280 nan 0.000 0.554 1462 N N 0.808 119.381 118.700 -0.211 0.000 2.571 1462 N HA 0.157 4.898 4.740 0.000 0.000 0.286 1462 N C -0.300 175.181 175.510 -0.048 0.000 1.138 1462 N CA -0.323 52.698 53.050 -0.047 0.000 0.859 1462 N CB 1.251 39.767 38.487 0.049 0.000 1.414 1462 N HN 0.147 nan 8.380 nan 0.000 0.529 1463 L N 2.775 123.957 121.223 -0.068 0.000 2.549 1463 L HA 0.079 4.419 4.340 0.000 0.000 0.229 1463 L C 1.256 177.983 176.870 -0.239 0.000 1.158 1463 L CA 1.790 56.475 54.840 -0.258 0.000 0.842 1463 L CB -0.112 41.795 42.059 -0.253 0.000 0.952 1463 L HN 0.562 nan 8.230 nan 0.000 0.452 1464 E N 0.507 120.658 120.200 -0.082 0.000 2.042 1464 E HA -0.093 4.257 4.350 0.000 0.000 0.189 1464 E C 0.820 177.432 176.600 0.021 0.000 0.974 1464 E CA 1.115 57.496 56.400 -0.031 0.000 0.806 1464 E CB -0.133 29.573 29.700 0.009 0.000 0.769 1464 E HN 0.710 nan 8.360 nan 0.000 0.451 1465 E N 1.599 121.851 120.200 0.086 0.000 1.972 1465 E HA 0.130 4.480 4.350 0.000 0.000 0.292 1465 E C -0.711 176.024 176.600 0.226 0.000 1.193 1465 E CA -0.282 56.224 56.400 0.175 0.000 1.228 1465 E CB -0.022 29.824 29.700 0.243 0.000 1.167 1465 E HN 0.004 nan 8.360 nan 0.000 0.479 1466 S N 0.808 116.576 115.700 0.113 0.000 2.648 1466 S HA 0.577 5.047 4.470 0.000 0.000 0.305 1466 S C -0.601 174.041 174.600 0.071 0.000 1.094 1466 S CA -1.031 57.197 58.200 0.047 0.000 0.983 1466 S CB 1.950 65.164 63.200 0.023 0.000 1.101 1466 S HN 0.448 nan 8.310 nan 0.000 0.514 1467 c N 2.279 120.897 118.600 0.030 0.000 2.547 1467 c HA 0.651 5.222 4.570 0.000 0.000 0.327 1467 c C -0.145 173.962 174.090 0.029 0.000 1.076 1467 c CA -0.143 56.228 56.329 0.071 0.000 1.390 1467 c CB -0.262 42.334 42.510 0.144 0.000 1.918 1467 c HN 0.968 nan 8.230 nan 0.000 0.438 1468 T N 5.116 119.684 114.554 0.023 0.000 2.767 1468 T HA 0.511 4.861 4.350 0.000 0.000 0.288 1468 T C -0.113 174.575 174.700 -0.019 0.000 0.963 1468 T CA -0.205 61.870 62.100 -0.042 0.000 1.019 1468 T CB 0.619 69.435 68.868 -0.087 0.000 0.923 1468 T HN 0.527 nan 8.240 nan 0.000 0.468 1469 R N 1.692 122.151 120.500 -0.068 0.000 2.711 1469 R HA 0.709 5.049 4.340 0.000 0.000 0.284 1469 R C -1.184 175.073 176.300 -0.073 0.000 0.968 1469 R CA -1.031 55.088 56.100 0.031 0.000 0.924 1469 R CB 0.703 31.046 30.300 0.073 0.000 1.162 1469 R HN 0.464 nan 8.270 nan 0.000 0.465 1470 F N 2.060 122.067 119.950 0.094 0.000 2.497 1470 F HA 0.530 5.057 4.527 0.000 0.000 0.331 1470 F C -0.350 175.545 175.800 0.159 0.000 1.060 1470 F CA -0.439 57.603 58.000 0.071 0.000 0.989 1470 F CB 1.284 40.286 39.000 0.003 0.000 1.245 1470 F HN 0.440 nan 8.300 nan 0.000 0.486 1471 Y N -0.451 119.966 120.300 0.194 0.000 2.348 1471 Y HA 0.509 5.059 4.550 0.000 0.000 0.321 1471 Y C -1.582 174.378 175.900 0.101 0.000 1.163 1471 Y CA -0.944 57.214 58.100 0.096 0.000 1.070 1471 Y CB 0.682 39.139 38.460 -0.004 0.000 1.250 1471 Y HN 0.677 nan 8.280 nan 0.000 0.425 1472 H N 4.626 123.731 119.070 0.058 0.000 2.747 1472 H HA 0.413 4.969 4.556 0.000 0.000 0.371 1472 H C -2.411 172.937 175.328 0.035 0.000 1.161 1472 H CA -2.576 53.465 56.048 -0.012 0.000 1.167 1472 H CB 3.204 32.951 29.762 -0.024 0.000 1.732 1472 H HN 0.506 nan 8.280 nan 0.000 0.544 1473 P HA 0.053 nan 4.420 nan 0.000 0.233 1473 P C 0.478 177.866 177.300 0.147 0.000 1.167 1473 P CA 0.897 64.013 63.100 0.028 0.000 0.770 1473 P CB 0.783 32.440 31.700 -0.071 0.000 0.837 1474 E N -0.711 119.700 120.200 0.352 0.000 2.290 1474 E HA 0.082 4.432 4.350 0.000 0.000 0.195 1474 E C 0.209 176.863 176.600 0.091 0.000 0.938 1474 E CA 0.227 56.754 56.400 0.211 0.000 1.018 1474 E CB 0.145 29.974 29.700 0.215 0.000 1.042 1474 E HN 0.079 nan 8.360 nan 0.000 0.483 1475 K N 1.633 122.040 120.400 0.013 0.000 2.138 1475 K HA -0.003 4.317 4.320 0.000 0.000 0.251 1475 K C 0.990 177.610 176.600 0.033 0.000 1.015 1475 K CA 0.158 56.426 56.287 -0.031 0.000 0.917 1475 K CB 0.442 32.866 32.500 -0.126 0.000 1.021 1475 K HN 0.176 nan 8.250 nan 0.000 0.485 1476 E N 0.653 120.866 120.200 0.023 0.000 2.072 1476 E HA -0.211 4.139 4.350 0.000 0.000 0.191 1476 E C 0.366 177.008 176.600 0.071 0.000 0.985 1476 E CA 1.632 58.058 56.400 0.044 0.000 0.801 1476 E CB -0.012 29.706 29.700 0.029 0.000 0.750 1476 E HN 0.672 nan 8.360 nan 0.000 0.452 1477 D N -1.497 118.944 120.400 0.067 0.000 2.469 1477 D HA 0.147 4.788 4.640 0.000 0.000 0.213 1477 D C 1.286 177.671 176.300 0.142 0.000 1.135 1477 D CA 0.477 54.541 54.000 0.107 0.000 0.834 1477 D CB 1.057 41.910 40.800 0.089 0.000 1.009 1477 D HN 0.420 nan 8.370 nan 0.000 0.507 1478 G N 0.500 109.354 108.800 0.090 0.000 2.231 1478 G HA2 -0.229 3.731 3.960 0.000 0.000 0.206 1478 G HA3 -0.229 3.731 3.960 0.000 0.000 0.206 1478 G C -0.001 174.832 174.900 -0.111 0.000 0.996 1478 G CA -0.417 44.725 45.100 0.070 0.000 0.645 1478 G HN 0.229 nan 8.290 nan 0.000 0.498 1479 K N 1.828 122.150 120.400 -0.129 0.000 2.349 1479 K HA 0.605 4.925 4.320 0.000 0.000 0.289 1479 K C 1.141 177.643 176.600 -0.164 0.000 1.064 1479 K CA -0.218 55.964 56.287 -0.175 0.000 0.947 1479 K CB 0.461 32.883 32.500 -0.132 0.000 1.007 1479 K HN 0.408 nan 8.250 nan 0.000 0.478 1480 L N 2.434 123.548 121.223 -0.181 0.000 2.499 1480 L HA 0.021 4.362 4.340 0.000 0.000 0.281 1480 L C 0.429 177.226 176.870 -0.121 0.000 1.234 1480 L CA -0.141 54.598 54.840 -0.168 0.000 0.839 1480 L CB 0.142 42.114 42.059 -0.147 0.000 1.104 1480 L HN 0.536 nan 8.230 nan 0.000 0.500 1481 N N 2.970 121.607 118.700 -0.105 0.000 2.402 1481 N HA 0.145 4.885 4.740 0.000 0.000 0.259 1481 N C -0.638 174.830 175.510 -0.071 0.000 1.167 1481 N CA -0.076 52.928 53.050 -0.077 0.000 0.949 1481 N CB 0.434 38.884 38.487 -0.062 0.000 1.212 1481 N HN 0.507 nan 8.380 nan 0.000 0.493 1482 K N -0.114 120.243 120.400 -0.071 0.000 2.328 1482 K HA 0.551 4.871 4.320 0.000 0.000 0.246 1482 K C -0.797 175.754 176.600 -0.082 0.000 0.955 1482 K CA -1.109 55.130 56.287 -0.079 0.000 0.817 1482 K CB 1.747 34.199 32.500 -0.080 0.000 1.208 1482 K HN 0.123 nan 8.250 nan 0.000 0.432 1483 L N 1.640 122.796 121.223 -0.112 0.000 2.257 1483 L HA 0.393 4.733 4.340 0.000 0.000 0.290 1483 L C -1.477 175.282 176.870 -0.185 0.000 1.044 1483 L CA -0.148 54.607 54.840 -0.141 0.000 0.810 1483 L CB 0.788 42.749 42.059 -0.163 0.000 1.193 1483 L HN 0.805 nan 8.230 nan 0.000 0.425 1484 c N 5.401 123.905 118.600 -0.160 0.000 2.379 1484 c HA 0.611 5.181 4.570 0.000 0.000 0.323 1484 c C 0.085 174.051 174.090 -0.206 0.000 1.262 1484 c CA -0.733 55.510 56.329 -0.143 0.000 1.581 1484 c CB 1.136 43.605 42.510 -0.067 0.000 2.221 1484 c HN 0.882 nan 8.230 nan 0.000 0.497 1485 R N 3.314 123.682 120.500 -0.221 0.000 2.358 1485 R HA 0.363 4.704 4.340 0.000 0.000 0.309 1485 R C -0.311 175.971 176.300 -0.031 0.000 1.026 1485 R CA -0.022 55.986 56.100 -0.154 0.000 0.909 1485 R CB 0.244 30.371 30.300 -0.289 0.000 1.153 1485 R HN 1.020 nan 8.270 nan 0.000 0.515 1486 D N 2.188 122.585 120.400 -0.005 0.000 4.744 1486 D HA -0.285 4.355 4.640 0.000 0.000 0.141 1486 D C 0.585 176.879 176.300 -0.011 0.000 0.668 1486 D CA 1.697 55.698 54.000 0.001 0.000 1.194 1486 D CB -0.482 40.322 40.800 0.006 0.000 0.713 1486 D HN 0.599 nan 8.370 nan 0.000 0.567 1487 E N -0.056 120.131 120.200 -0.021 0.000 2.251 1487 E HA 0.163 4.513 4.350 0.000 0.000 0.194 1487 E C 0.211 176.795 176.600 -0.026 0.000 0.964 1487 E CA 0.044 56.423 56.400 -0.034 0.000 0.868 1487 E CB 0.203 29.868 29.700 -0.058 0.000 0.828 1487 E HN 0.149 nan 8.360 nan 0.000 0.481 1488 L N 0.722 121.939 121.223 -0.009 0.000 2.416 1488 L HA 0.165 4.505 4.340 0.000 0.000 0.272 1488 L C -0.160 176.836 176.870 0.210 0.000 1.161 1488 L CA 0.039 54.931 54.840 0.087 0.000 0.845 1488 L CB 0.676 42.796 42.059 0.101 0.000 1.119 1488 L HN 0.153 nan 8.230 nan 0.000 0.464 1489 c N 3.530 122.322 118.600 0.320 0.000 2.802 1489 c HA 0.914 5.484 4.570 0.000 0.000 0.307 1489 c C -0.063 174.092 174.090 0.107 0.000 1.222 1489 c CA -0.669 55.756 56.329 0.160 0.000 1.580 1489 c CB 2.082 44.625 42.510 0.056 0.000 2.119 1489 c HN 1.004 nan 8.230 nan 0.000 0.479 1490 R N 1.027 121.459 120.500 -0.114 0.000 2.764 1490 R HA 0.624 4.964 4.340 0.000 0.000 0.270 1490 R C -1.316 174.889 176.300 -0.159 0.000 1.014 1490 R CA -0.534 55.416 56.100 -0.251 0.000 0.904 1490 R CB 0.648 30.602 30.300 -0.576 0.000 1.236 1490 R HN 0.602 nan 8.270 nan 0.000 0.466 1491 C N 2.320 121.537 119.300 -0.138 0.000 2.298 1491 C HA 0.509 4.969 4.460 0.000 0.000 0.451 1491 C C 1.257 176.188 174.990 -0.099 0.000 1.028 1491 C CA -0.077 58.887 59.018 -0.090 0.000 1.324 1491 C CB -1.284 26.427 27.740 -0.050 0.000 1.534 1491 C HN 0.785 nan 8.230 nan 0.000 0.528 1492 A N 3.070 125.831 122.820 -0.099 0.000 2.250 1492 A HA 0.088 4.408 4.320 0.000 0.000 0.208 1492 A C 1.199 178.748 177.584 -0.058 0.000 1.254 1492 A CA 0.464 52.453 52.037 -0.081 0.000 0.858 1492 A CB -0.340 18.615 19.000 -0.075 0.000 0.820 1492 A HN 0.826 nan 8.150 nan 0.000 0.484 1493 E N 1.686 121.851 120.200 -0.059 0.000 2.323 1493 E HA 0.056 4.406 4.350 0.000 0.000 0.313 1493 E C 0.319 176.900 176.600 -0.031 0.000 1.236 1493 E CA 0.294 56.666 56.400 -0.047 0.000 1.333 1493 E CB -0.423 29.247 29.700 -0.051 0.000 1.138 1493 E HN 0.917 nan 8.360 nan 0.000 0.492 1494 E N 0.056 120.242 120.200 -0.022 0.000 2.415 1494 E HA 0.428 4.778 4.350 0.000 0.000 0.255 1494 E C -0.558 176.049 176.600 0.011 0.000 0.936 1494 E CA -0.970 55.427 56.400 -0.005 0.000 0.876 1494 E CB 0.765 30.459 29.700 -0.011 0.000 1.696 1494 E HN -0.145 nan 8.360 nan 0.000 0.435 1495 N N -0.817 117.901 118.700 0.030 0.000 2.483 1495 N HA 0.262 5.003 4.740 0.000 0.000 0.285 1495 N C -1.301 174.247 175.510 0.062 0.000 1.210 1495 N CA -0.762 52.312 53.050 0.039 0.000 0.931 1495 N CB 1.671 40.182 38.487 0.040 0.000 1.220 1495 N HN 0.520 nan 8.380 nan 0.000 0.542 1496 C N 2.708 122.035 119.300 0.045 0.000 2.658 1496 C HA 0.155 4.615 4.460 0.000 0.000 0.376 1496 C C 0.319 175.345 174.990 0.059 0.000 1.202 1496 C CA -0.698 58.347 59.018 0.046 0.000 1.435 1496 C CB -2.753 24.991 27.740 0.006 0.000 2.076 1496 C HN 0.467 nan 8.230 nan 0.000 0.569 1497 F N 6.184 126.115 119.950 -0.031 0.000 2.602 1497 F HA 0.505 5.032 4.527 0.000 0.000 0.367 1497 F C -0.047 175.714 175.800 -0.066 0.000 1.126 1497 F CA 0.369 58.342 58.000 -0.045 0.000 1.321 1497 F CB 0.201 39.176 39.000 -0.042 0.000 1.094 1497 F HN 0.520 nan 8.300 nan 0.000 0.594 1502 D N 2.661 123.025 120.400 -0.060 0.000 2.737 1502 D HA -0.189 4.451 4.640 0.000 0.000 0.233 1502 D C 0.850 177.141 176.300 -0.015 0.000 1.155 1502 D CA 1.564 55.542 54.000 -0.036 0.000 0.667 1502 D CB -1.131 39.646 40.800 -0.039 0.000 1.060 1502 D HN 0.743 nan 8.370 nan 0.000 0.427 1503 D N -0.482 119.911 120.400 -0.012 0.000 2.133 1503 D HA -0.183 4.457 4.640 0.000 0.000 0.192 1503 D C 0.557 176.864 176.300 0.010 0.000 1.001 1503 D CA 1.337 55.336 54.000 -0.002 0.000 0.844 1503 D CB -0.055 40.746 40.800 0.001 0.000 0.944 1503 D HN 0.461 nan 8.370 nan 0.000 0.447 1504 K N -0.946 119.471 120.400 0.028 0.000 2.570 1504 K HA 0.416 4.736 4.320 0.000 0.000 0.256 1504 K C -1.686 174.956 176.600 0.069 0.000 0.939 1504 K CA -0.588 55.721 56.287 0.037 0.000 0.833 1504 K CB 3.460 35.979 32.500 0.033 0.000 1.318 1504 K HN -0.024 nan 8.250 nan 0.000 0.433 1505 V N -0.626 119.324 119.914 0.059 0.000 2.610 1505 V HA 0.550 4.670 4.120 0.000 0.000 0.288 1505 V C -0.343 175.768 176.094 0.029 0.000 1.055 1505 V CA -0.677 61.671 62.300 0.080 0.000 0.902 1505 V CB 0.879 32.782 31.823 0.133 0.000 1.030 1505 V HN 0.886 nan 8.190 nan 0.000 0.448 1506 T N 1.017 115.577 114.554 0.011 0.000 2.841 1506 T HA 0.628 4.978 4.350 0.000 0.000 0.276 1506 T C 0.920 175.608 174.700 -0.020 0.000 1.003 1506 T CA -0.355 61.741 62.100 -0.007 0.000 0.995 1506 T CB 2.061 70.927 68.868 -0.004 0.000 1.260 1506 T HN 0.525 nan 8.240 nan 0.000 0.581 1507 L N 0.087 121.305 121.223 -0.009 0.000 2.141 1507 L HA 0.014 4.354 4.340 0.000 0.000 0.209 1507 L C 2.357 179.240 176.870 0.023 0.000 1.094 1507 L CA 1.515 56.365 54.840 0.017 0.000 0.763 1507 L CB -0.312 41.756 42.059 0.015 0.000 0.908 1507 L HN 0.722 nan 8.230 nan 0.000 0.437 1508 E N -0.521 119.677 120.200 -0.004 0.000 2.170 1508 E HA -0.136 4.214 4.350 0.000 0.000 0.191 1508 E C 2.008 178.594 176.600 -0.024 0.000 0.981 1508 E CA 0.502 56.895 56.400 -0.012 0.000 0.830 1508 E CB 0.003 29.694 29.700 -0.015 0.000 0.775 1508 E HN 0.300 nan 8.360 nan 0.000 0.470 1509 E N 0.608 120.791 120.200 -0.029 0.000 2.204 1509 E HA -0.117 4.233 4.350 0.000 0.000 0.195 1509 E C 1.819 178.353 176.600 -0.111 0.000 0.990 1509 E CA 0.778 57.153 56.400 -0.041 0.000 0.821 1509 E CB -0.006 29.689 29.700 -0.009 0.000 0.750 1509 E HN 0.273 nan 8.360 nan 0.000 0.477 1510 R N -0.025 120.388 120.500 -0.144 0.000 2.090 1510 R HA 0.159 4.499 4.340 0.000 0.000 0.219 1510 R C 2.581 178.794 176.300 -0.146 0.000 1.100 1510 R CA 0.264 56.188 56.100 -0.292 0.000 0.991 1510 R CB -0.207 29.788 30.300 -0.509 0.000 0.893 1510 R HN 0.082 nan 8.270 nan 0.000 0.443 1511 L N 1.127 122.381 121.223 0.051 0.000 2.265 1511 L HA -0.187 4.153 4.340 0.000 0.000 0.215 1511 L C 1.145 177.965 176.870 -0.084 0.000 1.117 1511 L CA 0.990 55.851 54.840 0.035 0.000 0.782 1511 L CB -0.317 41.744 42.059 0.003 0.000 0.914 1511 L HN 0.177 nan 8.230 nan 0.000 0.441 1512 D N -0.215 120.128 120.400 -0.095 0.000 2.201 1512 D HA -0.071 4.569 4.640 0.000 0.000 0.209 1512 D C 1.981 178.203 176.300 -0.130 0.000 0.961 1512 D CA 0.943 54.888 54.000 -0.091 0.000 0.861 1512 D CB 0.088 40.856 40.800 -0.053 0.000 0.997 1512 D HN 0.175 nan 8.370 nan 0.000 0.486 1513 K N 0.299 120.594 120.400 -0.176 0.000 2.459 1513 K HA 0.213 4.533 4.320 0.000 0.000 0.193 1513 K C 1.216 177.559 176.600 -0.428 0.000 1.030 1513 K CA 0.256 56.441 56.287 -0.170 0.000 1.026 1513 K CB 0.528 32.988 32.500 -0.066 0.000 0.809 1513 K HN -0.028 nan 8.250 nan 0.000 0.504 1514 A N -0.297 122.146 122.820 -0.629 0.000 2.387 1514 A HA 0.083 4.403 4.320 0.000 0.000 0.234 1514 A C 1.095 178.404 177.584 -0.459 0.000 1.253 1514 A CA -0.069 51.413 52.037 -0.924 0.000 0.894 1514 A CB 0.040 18.476 19.000 -0.940 0.000 0.963 1514 A HN 0.295 nan 8.150 nan 0.000 0.508 1515 c N 0.426 118.856 118.600 -0.284 0.000 3.386 1515 c HA 0.268 4.838 4.570 0.000 0.000 0.279 1515 c C 0.660 174.682 174.090 -0.113 0.000 1.508 1515 c CA -0.790 55.437 56.329 -0.171 0.000 1.801 1515 c CB -1.158 41.276 42.510 -0.127 0.000 2.798 1515 c HN 0.558 nan 8.230 nan 0.000 0.605 1516 E N 2.059 122.190 120.200 -0.116 0.000 2.410 1516 E HA 0.070 4.420 4.350 0.000 0.000 0.255 1516 E C -1.443 175.138 176.600 -0.030 0.000 1.194 1516 E CA -0.934 55.434 56.400 -0.053 0.000 0.955 1516 E CB 0.583 30.268 29.700 -0.026 0.000 0.988 1516 E HN 0.080 nan 8.360 nan 0.000 0.461 1517 P HA -0.202 nan 4.420 nan 0.000 0.213 1517 P C 1.283 178.598 177.300 0.026 0.000 1.176 1517 P CA 1.606 64.713 63.100 0.012 0.000 0.919 1517 P CB -0.129 31.583 31.700 0.021 0.000 0.791 1518 G N -0.500 108.323 108.800 0.039 0.000 2.479 1518 G HA2 -0.156 3.805 3.960 0.000 0.000 0.220 1518 G HA3 -0.156 3.805 3.960 0.000 0.000 0.220 1518 G C 0.379 175.317 174.900 0.063 0.000 1.115 1518 G CA 0.121 45.259 45.100 0.063 0.000 0.757 1518 G HN 0.211 nan 8.290 nan 0.000 0.560 1519 V N 1.715 121.640 119.914 0.018 0.000 2.506 1519 V HA -0.013 4.107 4.120 0.000 0.000 0.296 1519 V C 1.151 177.253 176.094 0.012 0.000 1.004 1519 V CA 1.123 63.406 62.300 -0.029 0.000 1.150 1519 V CB 0.946 32.687 31.823 -0.137 0.000 0.911 1519 V HN 0.456 nan 8.190 nan 0.000 0.476 1520 D N 3.863 124.292 120.400 0.048 0.000 2.932 1520 D HA 0.044 4.684 4.640 0.000 0.000 0.294 1520 D C 0.162 176.590 176.300 0.214 0.000 1.119 1520 D CA 0.270 54.383 54.000 0.188 0.000 0.980 1520 D CB 0.759 41.792 40.800 0.388 0.000 1.361 1520 D HN 0.568 nan 8.370 nan 0.000 0.466 1521 Y N 0.058 120.430 120.300 0.121 0.000 2.446 1521 Y HA 0.671 5.221 4.550 0.000 0.000 0.345 1521 Y C -1.221 174.543 175.900 -0.226 0.000 0.984 1521 Y CA -1.221 56.832 58.100 -0.078 0.000 1.058 1521 Y CB 1.893 40.423 38.460 0.117 0.000 1.220 1521 Y HN -0.268 nan 8.280 nan 0.000 0.455 1522 V N 4.722 124.354 119.914 -0.471 0.000 2.567 1522 V HA 0.415 4.535 4.120 0.000 0.000 0.298 1522 V C -1.460 174.446 176.094 -0.313 0.000 1.047 1522 V CA -0.868 61.308 62.300 -0.207 0.000 0.880 1522 V CB 0.660 32.498 31.823 0.025 0.000 1.009 1522 V HN 0.788 nan 8.190 nan 0.000 0.429 1523 Y N 1.710 122.217 120.300 0.344 0.000 2.576 1523 Y HA 0.575 5.125 4.550 0.000 0.000 0.346 1523 Y C 0.099 176.104 175.900 0.175 0.000 1.018 1523 Y CA -1.509 56.728 58.100 0.229 0.000 1.050 1523 Y CB 2.055 40.632 38.460 0.196 0.000 1.280 1523 Y HN 0.481 nan 8.280 nan 0.000 0.474 1524 K N 2.270 122.804 120.400 0.222 0.000 2.356 1524 K HA 0.338 4.659 4.320 0.000 0.000 0.243 1524 K C -0.738 175.860 176.600 -0.003 0.000 1.072 1524 K CA -0.246 56.035 56.287 -0.011 0.000 1.014 1524 K CB 0.117 32.404 32.500 -0.354 0.000 1.523 1524 K HN 0.884 nan 8.250 nan 0.000 0.455 1525 T N 0.111 114.704 114.554 0.065 0.000 2.927 1525 T HA 0.374 4.724 4.350 0.000 0.000 0.281 1525 T C -0.150 174.561 174.700 0.019 0.000 0.998 1525 T CA -0.941 61.180 62.100 0.036 0.000 1.019 1525 T CB 1.583 70.455 68.868 0.007 0.000 1.061 1525 T HN 0.510 nan 8.240 nan 0.000 0.518 1526 R N 1.542 122.026 120.500 -0.026 0.000 2.435 1526 R HA 0.416 4.756 4.340 0.000 0.000 0.308 1526 R C -1.105 175.161 176.300 -0.057 0.000 0.975 1526 R CA -0.953 55.071 56.100 -0.127 0.000 0.867 1526 R CB 1.006 31.158 30.300 -0.247 0.000 1.171 1526 R HN 0.631 nan 8.270 nan 0.000 0.470 1527 L N 5.883 127.104 121.223 -0.002 0.000 2.534 1527 L HA 0.029 4.369 4.340 0.000 0.000 0.271 1527 L C 0.097 176.975 176.870 0.014 0.000 1.178 1527 L CA 0.770 55.626 54.840 0.026 0.000 0.907 1527 L CB 1.311 43.408 42.059 0.062 0.000 1.164 1527 L HN 0.609 nan 8.230 nan 0.000 0.482 1528 V N 4.001 123.932 119.914 0.027 0.000 2.521 1528 V HA 0.184 4.304 4.120 0.000 0.000 0.239 1528 V C 0.810 176.921 176.094 0.029 0.000 1.053 1528 V CA 0.603 62.913 62.300 0.018 0.000 1.073 1528 V CB -0.316 31.517 31.823 0.017 0.000 0.746 1528 V HN 0.793 nan 8.190 nan 0.000 0.476 1529 K N 0.259 120.685 120.400 0.043 0.000 2.371 1529 K HA 0.636 4.956 4.320 0.000 0.000 0.251 1529 K C -1.878 174.747 176.600 0.041 0.000 0.934 1529 K CA -0.416 55.890 56.287 0.032 0.000 0.798 1529 K CB 2.569 35.080 32.500 0.017 0.000 1.204 1529 K HN 0.001 nan 8.250 nan 0.000 0.427 1530 V N 4.431 124.354 119.914 0.014 0.000 2.357 1530 V HA 0.275 4.395 4.120 0.000 0.000 0.281 1530 V C -0.657 175.375 176.094 -0.104 0.000 1.015 1530 V CA -0.796 61.489 62.300 -0.025 0.000 0.827 1530 V CB 1.222 33.075 31.823 0.050 0.000 1.018 1530 V HN 0.786 nan 8.190 nan 0.000 0.432 1531 Q N 3.617 123.307 119.800 -0.184 0.000 2.215 1531 Q HA 0.801 5.141 4.340 0.000 0.000 0.256 1531 Q C -1.093 174.732 176.000 -0.291 0.000 0.972 1531 Q CA -0.784 54.903 55.803 -0.193 0.000 0.889 1531 Q CB 3.169 31.807 28.738 -0.166 0.000 1.281 1531 Q HN 0.590 nan 8.270 nan 0.000 0.456 1532 L N 0.649 121.729 121.223 -0.238 0.000 2.516 1532 L HA 0.414 4.755 4.340 0.000 0.000 0.267 1532 L C -1.234 175.516 176.870 -0.199 0.000 0.957 1532 L CA -0.160 54.527 54.840 -0.254 0.000 0.860 1532 L CB 2.284 44.240 42.059 -0.172 0.000 1.265 1532 L HN 0.631 nan 8.230 nan 0.000 0.403 1533 S N 1.601 117.155 115.700 -0.242 0.000 2.767 1533 S HA 0.330 4.800 4.470 0.000 0.000 0.300 1533 S C 0.502 175.085 174.600 -0.028 0.000 1.123 1533 S CA -0.641 57.490 58.200 -0.115 0.000 0.992 1533 S CB 1.596 64.744 63.200 -0.086 0.000 1.138 1533 S HN 0.737 nan 8.310 nan 0.000 0.550 1534 N N 0.877 119.595 118.700 0.030 0.000 2.463 1534 N HA -0.038 4.702 4.740 0.000 0.000 0.181 1534 N C 0.306 175.864 175.510 0.081 0.000 1.078 1534 N CA 0.875 53.950 53.050 0.042 0.000 0.902 1534 N CB -0.077 38.431 38.487 0.035 0.000 0.970 1534 N HN 0.642 nan 8.380 nan 0.000 0.451 1535 D N -1.810 118.688 120.400 0.162 0.000 2.479 1535 D HA 0.154 4.794 4.640 0.000 0.000 0.221 1535 D C 0.205 176.714 176.300 0.348 0.000 1.104 1535 D CA -0.169 53.952 54.000 0.201 0.000 0.849 1535 D CB -0.026 40.872 40.800 0.163 0.000 1.072 1535 D HN 0.314 nan 8.370 nan 0.000 0.502 1536 F N -0.660 119.279 119.950 -0.017 0.000 2.829 1536 F HA 0.445 4.972 4.527 0.000 0.000 0.319 1536 F C -2.099 173.673 175.800 -0.047 0.000 1.153 1536 F CA -1.577 56.409 58.000 -0.023 0.000 0.912 1536 F CB 0.805 39.795 39.000 -0.017 0.000 1.292 1536 F HN -0.171 nan 8.300 nan 0.000 0.447 1537 D N -0.065 120.129 120.400 -0.343 0.000 2.494 1537 D HA 0.701 5.341 4.640 0.000 0.000 0.259 1537 D C -1.361 174.560 176.300 -0.632 0.000 1.109 1537 D CA -0.389 53.284 54.000 -0.545 0.000 1.040 1537 D CB 1.773 42.353 40.800 -0.368 0.000 1.175 1537 D HN 0.923 nan 8.370 nan 0.000 0.584 1538 E N -2.421 117.335 120.200 -0.741 0.000 2.416 1538 E HA 0.477 4.827 4.350 0.000 0.000 0.280 1538 E C -1.655 174.495 176.600 -0.751 0.000 1.055 1538 E CA -1.081 55.000 56.400 -0.530 0.000 0.825 1538 E CB 1.140 30.667 29.700 -0.287 0.000 1.312 1538 E HN 0.480 nan 8.360 nan 0.000 0.452 1539 Y N 0.522 120.857 120.300 0.058 0.000 2.332 1539 Y HA 0.394 4.944 4.550 0.000 0.000 0.325 1539 Y C -0.390 175.575 175.900 0.109 0.000 1.054 1539 Y CA -0.909 57.215 58.100 0.040 0.000 1.119 1539 Y CB 1.609 40.053 38.460 -0.026 0.000 1.168 1539 Y HN 0.416 nan 8.280 nan 0.000 0.439 1540 I N 5.260 125.938 120.570 0.181 0.000 2.260 1540 I HA 0.227 4.398 4.170 0.000 0.000 0.297 1540 I C -0.331 175.868 176.117 0.136 0.000 1.143 1540 I CA 0.299 61.693 61.300 0.158 0.000 1.271 1540 I CB -0.136 37.917 38.000 0.088 0.000 1.461 1540 I HN 0.523 nan 8.210 nan 0.000 0.530 1541 M N 4.675 124.375 119.600 0.167 0.000 2.363 1541 M HA 0.603 5.084 4.480 0.000 0.000 0.343 1541 M C -0.023 176.324 176.300 0.078 0.000 1.165 1541 M CA -0.478 54.867 55.300 0.074 0.000 1.046 1541 M CB 2.059 34.628 32.600 -0.051 0.000 1.648 1541 M HN 0.520 nan 8.290 nan 0.000 0.452 1542 A N 3.825 126.663 122.820 0.030 0.000 2.276 1542 A HA 0.672 4.992 4.320 0.000 0.000 0.316 1542 A C -0.335 177.249 177.584 -0.001 0.000 1.229 1542 A CA -0.711 51.336 52.037 0.016 0.000 0.851 1542 A CB 0.276 19.281 19.000 0.009 0.000 1.165 1542 A HN 0.893 nan 8.150 nan 0.000 0.513 1543 I N 2.459 123.013 120.570 -0.026 0.000 2.517 1543 I HA 0.049 4.219 4.170 0.000 0.000 0.285 1543 I C 0.904 177.015 176.117 -0.010 0.000 1.106 1543 I CA 0.295 61.571 61.300 -0.039 0.000 1.402 1543 I CB 0.798 38.700 38.000 -0.164 0.000 1.399 1543 I HN 0.847 nan 8.210 nan 0.000 0.535 1544 E N 5.192 125.395 120.200 0.005 0.000 2.447 1544 E HA -0.002 4.349 4.350 0.000 0.000 0.195 1544 E C -0.171 176.429 176.600 -0.001 0.000 1.028 1544 E CA 0.175 56.571 56.400 -0.006 0.000 0.876 1544 E CB 0.417 30.101 29.700 -0.027 0.000 0.885 1544 E HN 0.700 nan 8.360 nan 0.000 0.500 1545 Q N -0.442 119.381 119.800 0.038 0.000 2.574 1545 Q HA 0.173 4.513 4.340 0.000 0.000 0.265 1545 Q C -1.113 175.006 176.000 0.198 0.000 0.975 1545 Q CA -0.766 55.084 55.803 0.077 0.000 0.923 1545 Q CB 0.771 29.529 28.738 0.034 0.000 1.518 1545 Q HN -0.056 nan 8.270 nan 0.000 0.401 1546 T N 0.518 115.206 114.554 0.224 0.000 3.145 1546 T HA 0.403 4.753 4.350 0.000 0.000 0.348 1546 T C 1.021 175.861 174.700 0.234 0.000 1.299 1546 T CA -0.602 61.725 62.100 0.380 0.000 1.037 1546 T CB -0.322 68.755 68.868 0.348 0.000 1.122 1546 T HN 0.651 nan 8.240 nan 0.000 0.600 1547 I N 0.873 121.560 120.570 0.196 0.000 2.208 1547 I HA -0.036 4.134 4.170 0.000 0.000 0.245 1547 I C 1.425 177.571 176.117 0.049 0.000 1.097 1547 I CA 1.189 62.549 61.300 0.100 0.000 1.363 1547 I CB -0.008 38.062 38.000 0.116 0.000 1.051 1547 I HN 0.513 nan 8.210 nan 0.000 0.413 1548 K N 0.938 121.357 120.400 0.032 0.000 2.687 1548 K HA 0.270 4.590 4.320 0.000 0.000 0.249 1548 K C -0.932 175.720 176.600 0.086 0.000 0.994 1548 K CA -0.293 56.008 56.287 0.023 0.000 0.913 1548 K CB 1.383 33.862 32.500 -0.035 0.000 1.202 1548 K HN -0.145 nan 8.250 nan 0.000 0.460 1549 S N 1.908 117.705 115.700 0.163 0.000 2.516 1549 S HA 0.220 4.690 4.470 0.000 0.000 0.282 1549 S C 0.503 175.242 174.600 0.232 0.000 1.286 1549 S CA -0.181 58.169 58.200 0.251 0.000 1.066 1549 S CB 1.222 64.539 63.200 0.195 0.000 0.884 1549 S HN 0.754 nan 8.310 nan 0.000 0.491 1550 G N 1.640 110.647 108.800 0.344 0.000 2.849 1550 G HA2 0.305 4.265 3.960 0.000 0.000 0.174 1550 G HA3 0.305 4.265 3.960 0.000 0.000 0.174 1550 G C 0.885 175.935 174.900 0.250 0.000 1.370 1550 G CA -0.527 44.777 45.100 0.340 0.000 1.040 1550 G HN 0.586 nan 8.290 nan 0.000 0.582 1551 S N -0.260 115.568 115.700 0.212 0.000 2.447 1551 S HA -0.021 4.449 4.470 0.000 0.000 0.233 1551 S C 0.661 175.232 174.600 -0.049 0.000 1.006 1551 S CA 0.707 58.900 58.200 -0.011 0.000 0.957 1551 S CB -0.095 62.966 63.200 -0.231 0.000 0.773 1551 S HN 0.550 nan 8.310 nan 0.000 0.507 1552 D N 2.658 123.118 120.400 0.101 0.000 2.316 1552 D HA 0.073 4.713 4.640 0.000 0.000 0.245 1552 D C -0.474 175.918 176.300 0.154 0.000 1.171 1552 D CA -0.193 53.877 54.000 0.115 0.000 0.856 1552 D CB 0.436 41.433 40.800 0.327 0.000 1.090 1552 D HN -0.022 nan 8.370 nan 0.000 0.476 1553 E N 3.021 123.264 120.200 0.072 0.000 1.858 1553 E HA 0.146 4.496 4.350 0.000 0.000 0.267 1553 E C -0.555 176.086 176.600 0.068 0.000 1.215 1553 E CA -0.206 56.237 56.400 0.072 0.000 0.952 1553 E CB 1.038 30.759 29.700 0.034 0.000 1.058 1553 E HN 0.178 nan 8.360 nan 0.000 0.407 1554 V N 3.442 123.407 119.914 0.086 0.000 2.531 1554 V HA 0.227 4.347 4.120 0.000 0.000 0.301 1554 V C -0.746 175.368 176.094 0.034 0.000 1.034 1554 V CA -0.740 61.586 62.300 0.042 0.000 0.865 1554 V CB 2.102 33.926 31.823 0.002 0.000 0.995 1554 V HN 0.418 nan 8.190 nan 0.000 0.424 1555 Q N 3.237 123.049 119.800 0.021 0.000 2.256 1555 Q HA 0.531 4.871 4.340 0.000 0.000 0.232 1555 Q C -0.448 175.557 176.000 0.008 0.000 0.965 1555 Q CA -0.233 55.584 55.803 0.024 0.000 0.908 1555 Q CB 1.727 30.478 28.738 0.021 0.000 1.209 1555 Q HN 0.686 nan 8.270 nan 0.000 0.489 1556 V N 1.949 121.874 119.914 0.018 0.000 2.450 1556 V HA 0.357 4.477 4.120 0.000 0.000 0.281 1556 V C 1.176 177.272 176.094 0.004 0.000 1.019 1556 V CA 1.746 64.053 62.300 0.011 0.000 1.062 1556 V CB -0.091 31.746 31.823 0.023 0.000 0.979 1556 V HN 1.008 nan 8.190 nan 0.000 0.477 1557 G N 3.711 112.509 108.800 -0.003 0.000 2.699 1557 G HA2 -0.138 3.822 3.960 0.000 0.000 0.198 1557 G HA3 -0.138 3.822 3.960 0.000 0.000 0.198 1557 G C 0.207 175.107 174.900 -0.000 0.000 1.033 1557 G CA -0.282 44.818 45.100 0.000 0.000 0.728 1557 G HN 0.567 nan 8.290 nan 0.000 0.484 1558 Q N 0.649 120.446 119.800 -0.004 0.000 2.524 1558 Q HA 0.487 4.827 4.340 0.000 0.000 0.246 1558 Q C -0.077 175.926 176.000 0.005 0.000 1.063 1558 Q CA 0.456 56.260 55.803 0.002 0.000 0.945 1558 Q CB 0.395 29.134 28.738 0.002 0.000 1.292 1558 Q HN 0.506 nan 8.270 nan 0.000 0.518 1559 Q N 1.094 120.909 119.800 0.024 0.000 2.322 1559 Q HA 0.383 4.723 4.340 0.000 0.000 0.265 1559 Q C -0.861 175.184 176.000 0.075 0.000 0.985 1559 Q CA -0.661 55.171 55.803 0.049 0.000 0.849 1559 Q CB 1.519 30.289 28.738 0.053 0.000 1.274 1559 Q HN 0.179 nan 8.270 nan 0.000 0.449 1560 R N 1.697 122.268 120.500 0.118 0.000 2.387 1560 R HA 0.366 4.706 4.340 0.000 0.000 0.314 1560 R C -0.643 175.796 176.300 0.231 0.000 0.958 1560 R CA -0.484 55.711 56.100 0.158 0.000 0.846 1560 R CB 1.575 31.961 30.300 0.143 0.000 1.147 1560 R HN 0.535 nan 8.270 nan 0.000 0.447 1561 T N 4.223 118.878 114.554 0.168 0.000 2.851 1561 T HA 0.325 4.676 4.350 0.000 0.000 0.298 1561 T C -0.104 174.694 174.700 0.163 0.000 0.977 1561 T CA 0.312 62.534 62.100 0.204 0.000 1.126 1561 T CB 0.096 69.047 68.868 0.140 0.000 0.916 1561 T HN 0.166 nan 8.240 nan 0.000 0.529 1562 F N 2.377 122.443 119.950 0.194 0.000 2.492 1562 F HA 0.643 5.171 4.527 0.000 0.000 0.327 1562 F C 0.367 176.301 175.800 0.223 0.000 1.079 1562 F CA -1.217 56.918 58.000 0.226 0.000 0.967 1562 F CB 1.179 40.297 39.000 0.198 0.000 1.169 1562 F HN 0.324 nan 8.300 nan 0.000 0.472 1563 I N 1.537 122.326 120.570 0.365 0.000 2.545 1563 I HA 0.491 4.662 4.170 0.000 0.000 0.292 1563 I C -0.687 175.598 176.117 0.280 0.000 1.040 1563 I CA -0.504 60.983 61.300 0.312 0.000 1.068 1563 I CB 2.262 40.460 38.000 0.330 0.000 1.251 1563 I HN 0.502 nan 8.210 nan 0.000 0.424 1564 S N 6.076 121.941 115.700 0.275 0.000 2.541 1564 S HA 0.621 5.091 4.470 0.000 0.000 0.271 1564 S C -2.815 171.912 174.600 0.212 0.000 1.133 1564 S CA -1.310 57.026 58.200 0.226 0.000 0.876 1564 S CB 2.216 65.583 63.200 0.278 0.000 1.105 1564 S HN 0.160 nan 8.310 nan 0.000 0.470 1565 P HA 0.186 nan 4.420 nan 0.000 0.270 1565 P C 0.729 178.100 177.300 0.119 0.000 1.227 1565 P CA -0.151 63.030 63.100 0.135 0.000 0.788 1565 P CB 0.338 32.085 31.700 0.077 0.000 0.926 1566 I N 1.001 121.634 120.570 0.105 0.000 2.830 1566 I HA -0.143 4.027 4.170 0.000 0.000 0.263 1566 I C 1.206 177.350 176.117 0.046 0.000 1.230 1566 I CA 1.147 62.485 61.300 0.063 0.000 1.480 1566 I CB 0.014 38.048 38.000 0.057 0.000 1.095 1566 I HN 0.277 nan 8.210 nan 0.000 0.455 1567 K N -0.487 119.942 120.400 0.049 0.000 2.444 1567 K HA 0.077 4.397 4.320 0.000 0.000 0.193 1567 K C 1.082 177.704 176.600 0.037 0.000 1.024 1567 K CA 0.061 56.369 56.287 0.034 0.000 1.077 1567 K CB 0.098 32.615 32.500 0.028 0.000 0.833 1567 K HN 0.323 nan 8.250 nan 0.000 0.517 1568 C N 0.968 120.303 119.300 0.059 0.000 2.778 1568 C HA 0.233 4.693 4.460 0.000 0.000 0.294 1568 C C 1.703 176.726 174.990 0.056 0.000 1.331 1568 C CA -0.551 58.507 59.018 0.065 0.000 1.741 1568 C CB -0.907 26.905 27.740 0.120 0.000 2.106 1568 C HN 0.393 nan 8.230 nan 0.000 0.603 1569 R N 0.852 121.380 120.500 0.046 0.000 2.237 1569 R HA -0.098 4.243 4.340 0.000 0.000 0.219 1569 R C 1.745 178.049 176.300 0.007 0.000 1.080 1569 R CA 0.867 56.994 56.100 0.045 0.000 0.995 1569 R CB 0.033 30.352 30.300 0.031 0.000 0.875 1569 R HN 0.633 nan 8.270 nan 0.000 0.462 1570 E N 0.152 120.342 120.200 -0.017 0.000 2.476 1570 E HA 0.083 4.433 4.350 0.000 0.000 0.199 1570 E C 1.453 178.001 176.600 -0.087 0.000 1.021 1570 E CA 0.175 56.547 56.400 -0.047 0.000 0.907 1570 E CB 0.321 29.994 29.700 -0.045 0.000 0.974 1570 E HN 0.266 nan 8.360 nan 0.000 0.489 1571 A N 1.027 123.792 122.820 -0.092 0.000 1.827 1571 A HA -0.060 4.260 4.320 0.000 0.000 0.215 1571 A C 0.787 178.254 177.584 -0.195 0.000 1.212 1571 A CA 0.802 52.736 52.037 -0.171 0.000 0.624 1571 A CB -0.042 18.880 19.000 -0.130 0.000 0.853 1571 A HN 0.245 nan 8.150 nan 0.000 0.450 1572 L N 0.212 121.327 121.223 -0.180 0.000 2.377 1572 L HA 0.258 4.598 4.340 0.000 0.000 0.270 1572 L C -0.719 176.031 176.870 -0.200 0.000 0.991 1572 L CA -0.189 54.526 54.840 -0.208 0.000 0.851 1572 L CB 1.358 43.246 42.059 -0.285 0.000 1.218 1572 L HN 0.379 nan 8.230 nan 0.000 0.420 1573 K N 4.887 125.216 120.400 -0.118 0.000 1.925 1573 K HA 0.094 4.415 4.320 0.000 0.000 0.216 1573 K C 0.072 176.619 176.600 -0.087 0.000 1.159 1573 K CA 0.054 56.300 56.287 -0.068 0.000 1.219 1573 K CB -0.216 32.266 32.500 -0.030 0.000 1.143 1573 K HN 0.452 nan 8.250 nan 0.000 0.258 1574 L N 2.936 124.017 121.223 -0.238 0.000 2.699 1574 L HA -0.008 4.332 4.340 0.000 0.000 0.283 1574 L C 0.955 177.805 176.870 -0.033 0.000 1.166 1574 L CA 0.232 54.858 54.840 -0.356 0.000 1.043 1574 L CB -0.555 40.965 42.059 -0.899 0.000 1.369 1574 L HN 0.537 nan 8.230 nan 0.000 0.462 1575 E N 2.515 122.779 120.200 0.107 0.000 2.369 1575 E HA 0.146 4.496 4.350 0.000 0.000 0.255 1575 E C -0.177 176.498 176.600 0.126 0.000 1.172 1575 E CA -0.557 55.913 56.400 0.117 0.000 0.932 1575 E CB 0.853 30.623 29.700 0.118 0.000 1.040 1575 E HN 0.464 nan 8.360 nan 0.000 0.454 1576 E N 1.349 121.598 120.200 0.081 0.000 2.313 1576 E HA 0.078 4.428 4.350 0.000 0.000 0.272 1576 E C -0.556 176.056 176.600 0.020 0.000 1.038 1576 E CA -0.474 55.959 56.400 0.054 0.000 0.863 1576 E CB 0.829 30.551 29.700 0.037 0.000 1.060 1576 E HN 0.359 nan 8.360 nan 0.000 0.402 1577 K N 0.950 121.337 120.400 -0.022 0.000 3.129 1577 K HA -0.180 4.140 4.320 0.000 0.000 0.273 1577 K C -0.851 175.643 176.600 -0.178 0.000 1.123 1577 K CA 1.050 57.280 56.287 -0.095 0.000 0.800 1577 K CB -1.550 30.918 32.500 -0.053 0.000 1.238 1577 K HN 0.519 nan 8.250 nan 0.000 0.492 1578 K N 0.514 120.813 120.400 -0.168 0.000 2.259 1578 K HA 0.382 4.702 4.320 0.000 0.000 0.249 1578 K C -0.021 176.260 176.600 -0.533 0.000 0.942 1578 K CA -0.833 55.272 56.287 -0.303 0.000 0.816 1578 K CB 1.604 34.023 32.500 -0.135 0.000 1.155 1578 K HN 0.117 nan 8.250 nan 0.000 0.428 1579 H N 1.460 120.235 119.070 -0.491 0.000 2.481 1579 H HA 0.288 4.844 4.556 0.000 0.000 0.339 1579 H C -0.839 174.068 175.328 -0.703 0.000 1.131 1579 H CA 0.046 55.833 56.048 -0.436 0.000 1.301 1579 H CB 0.819 30.351 29.762 -0.383 0.000 1.476 1579 H HN 0.460 nan 8.280 nan 0.000 0.529 1580 Y N 0.498 120.834 120.300 0.060 0.000 2.479 1580 Y HA 0.140 4.690 4.550 0.000 0.000 0.338 1580 Y C -0.646 175.352 175.900 0.162 0.000 1.055 1580 Y CA -0.903 57.247 58.100 0.083 0.000 1.023 1580 Y CB 1.686 40.110 38.460 -0.059 0.000 1.287 1580 Y HN 0.369 nan 8.280 nan 0.000 0.447 1581 L N 4.649 126.139 121.223 0.445 0.000 2.257 1581 L HA 0.691 5.031 4.340 0.000 0.000 0.290 1581 L C -1.117 175.921 176.870 0.280 0.000 1.044 1581 L CA -0.259 54.850 54.840 0.448 0.000 0.810 1581 L CB 0.247 42.669 42.059 0.605 0.000 1.193 1581 L HN 0.674 nan 8.230 nan 0.000 0.425 1582 M N 5.221 124.975 119.600 0.256 0.000 2.501 1582 M HA 0.558 5.039 4.480 0.000 0.000 0.293 1582 M C -1.806 174.627 176.300 0.221 0.000 1.192 1582 M CA -0.419 54.953 55.300 0.120 0.000 0.886 1582 M CB 2.397 35.052 32.600 0.093 0.000 1.710 1582 M HN 0.701 nan 8.290 nan 0.000 0.457 1583 W N 0.824 122.161 121.300 0.062 0.000 3.573 1583 W HA 0.868 5.528 4.660 0.000 0.000 0.306 1583 W C -1.204 175.079 176.519 -0.394 0.000 1.227 1583 W CA -0.880 56.256 57.345 -0.348 0.000 1.212 1583 W CB 0.191 29.512 29.460 -0.231 0.000 1.331 1583 W HN 0.773 nan 8.180 nan 0.000 0.524 1584 G N 1.646 110.023 108.800 -0.705 0.000 3.135 1584 G HA2 0.770 4.730 3.960 0.000 0.000 0.278 1584 G HA3 0.770 4.730 3.960 0.000 0.000 0.278 1584 G C -1.499 173.360 174.900 -0.069 0.000 1.302 1584 G CA -1.300 43.689 45.100 -0.185 0.000 0.880 1584 G HN 0.697 nan 8.290 nan 0.000 0.574 1585 L N 0.224 121.524 121.223 0.128 0.000 2.365 1585 L HA 0.355 4.695 4.340 0.000 0.000 0.267 1585 L C 1.860 178.895 176.870 0.275 0.000 1.033 1585 L CA -0.423 54.518 54.840 0.168 0.000 0.802 1585 L CB 1.860 43.991 42.059 0.121 0.000 1.267 1585 L HN 0.695 nan 8.230 nan 0.000 0.457 1586 S N -1.724 114.170 115.700 0.323 0.000 2.489 1586 S HA -0.104 4.366 4.470 0.000 0.000 0.228 1586 S C 1.480 176.352 174.600 0.452 0.000 0.995 1586 S CA 0.576 59.095 58.200 0.531 0.000 0.934 1586 S CB -0.305 63.144 63.200 0.415 0.000 0.771 1586 S HN 0.748 nan 8.310 nan 0.000 0.522 1587 S N 0.778 116.628 115.700 0.250 0.000 2.603 1587 S HA 0.104 4.574 4.470 0.000 0.000 0.220 1587 S C 0.505 175.191 174.600 0.143 0.000 0.967 1587 S CA 0.207 58.517 58.200 0.185 0.000 0.920 1587 S CB -0.227 63.038 63.200 0.110 0.000 0.773 1587 S HN 0.375 nan 8.310 nan 0.000 0.529 1588 D N 0.423 120.894 120.400 0.119 0.000 2.360 1588 D HA 0.295 4.935 4.640 0.000 0.000 0.210 1588 D C -0.273 176.006 176.300 -0.035 0.000 1.047 1588 D CA -0.270 53.741 54.000 0.019 0.000 0.854 1588 D CB -0.180 40.642 40.800 0.036 0.000 0.936 1588 D HN 0.360 nan 8.370 nan 0.000 0.514 1589 F N 0.470 120.444 119.950 0.039 0.000 2.563 1589 F HA 0.106 4.634 4.527 0.000 0.000 0.363 1589 F C 0.605 176.510 175.800 0.174 0.000 1.123 1589 F CA 0.193 58.166 58.000 -0.045 0.000 1.307 1589 F CB 0.544 39.492 39.000 -0.087 0.000 1.115 1589 F HN -0.088 nan 8.300 nan 0.000 0.592 1590 W N 4.409 125.709 121.300 -0.000 0.000 2.756 1590 W HA 0.454 5.114 4.660 0.000 0.000 0.333 1590 W C -0.046 176.452 176.519 -0.035 0.000 1.025 1590 W CA -0.143 57.187 57.345 -0.025 0.000 1.246 1590 W CB 1.605 31.037 29.460 -0.046 0.000 1.358 1590 W HN 0.844 nan 8.180 nan 0.000 0.444 1591 G N 3.608 112.122 108.800 -0.475 0.000 2.384 1591 G HA2 -0.123 3.837 3.960 0.000 0.000 0.200 1591 G HA3 -0.123 3.837 3.960 0.000 0.000 0.200 1591 G C -1.205 173.540 174.900 -0.258 0.000 1.205 1591 G CA -0.692 44.144 45.100 -0.440 0.000 1.116 1591 G HN 0.355 nan 8.290 nan 0.000 0.547 1592 E N 0.434 120.519 120.200 -0.192 0.000 2.321 1592 E HA 0.334 4.684 4.350 0.000 0.000 0.281 1592 E C -0.541 175.986 176.600 -0.122 0.000 0.910 1592 E CA -0.829 55.479 56.400 -0.153 0.000 0.770 1592 E CB 1.989 31.598 29.700 -0.151 0.000 1.225 1592 E HN 0.623 nan 8.360 nan 0.000 0.417 1593 K N 1.987 122.315 120.400 -0.120 0.000 2.518 1593 K HA 0.007 4.328 4.320 0.000 0.000 0.276 1593 K C -1.454 175.101 176.600 -0.076 0.000 0.974 1593 K CA -0.615 55.613 56.287 -0.099 0.000 0.986 1593 K CB 0.268 32.704 32.500 -0.108 0.000 0.901 1593 K HN 0.171 nan 8.250 nan 0.000 0.497 1594 P HA 0.003 nan 4.420 nan 0.000 0.236 1594 P C -0.665 176.609 177.300 -0.045 0.000 1.177 1594 P CA 0.545 63.616 63.100 -0.048 0.000 0.773 1594 P CB 0.294 31.976 31.700 -0.030 0.000 0.878 1595 N N 0.791 119.459 118.700 -0.054 0.000 2.971 1595 N HA 0.109 4.850 4.740 0.000 0.000 0.294 1595 N C 0.031 175.500 175.510 -0.069 0.000 1.210 1595 N CA 0.387 53.406 53.050 -0.052 0.000 1.157 1595 N CB -0.526 37.928 38.487 -0.056 0.000 1.450 1595 N HN 0.224 nan 8.380 nan 0.000 0.527 1596 L N -0.286 120.903 121.223 -0.057 0.000 2.440 1596 L HA 0.543 4.883 4.340 0.000 0.000 0.262 1596 L C 0.344 177.180 176.870 -0.056 0.000 1.072 1596 L CA -0.556 54.246 54.840 -0.063 0.000 0.798 1596 L CB 0.904 42.933 42.059 -0.050 0.000 1.307 1596 L HN 0.102 nan 8.230 nan 0.000 0.475 1597 S N -1.276 114.382 115.700 -0.070 0.000 2.592 1597 S HA 0.438 4.908 4.470 0.000 0.000 0.275 1597 S C -1.308 173.187 174.600 -0.175 0.000 1.169 1597 S CA -0.681 57.493 58.200 -0.044 0.000 0.958 1597 S CB 1.090 64.365 63.200 0.125 0.000 1.095 1597 S HN 0.217 nan 8.310 nan 0.000 0.471 1598 Y N 2.088 122.159 120.300 -0.383 0.000 2.301 1598 Y HA 0.481 5.032 4.550 0.000 0.000 0.328 1598 Y C 0.539 176.294 175.900 -0.241 0.000 1.242 1598 Y CA -0.578 57.175 58.100 -0.577 0.000 1.323 1598 Y CB 0.541 38.173 38.460 -1.380 0.000 1.266 1598 Y HN 0.407 nan 8.280 nan 0.000 0.527 1599 I N 3.982 124.562 120.570 0.016 0.000 2.418 1599 I HA 0.219 4.389 4.170 0.000 0.000 0.287 1599 I C -0.376 175.810 176.117 0.116 0.000 1.008 1599 I CA -0.857 60.473 61.300 0.050 0.000 1.104 1599 I CB 1.477 39.425 38.000 -0.086 0.000 1.264 1599 I HN 0.566 nan 8.210 nan 0.000 0.438 1600 I N 6.224 126.893 120.570 0.165 0.000 2.352 1600 I HA 0.128 4.298 4.170 0.000 0.000 0.303 1600 I C 1.187 177.252 176.117 -0.087 0.000 1.194 1600 I CA 0.148 61.509 61.300 0.102 0.000 1.518 1600 I CB -0.266 37.829 38.000 0.159 0.000 1.489 1600 I HN 0.638 nan 8.210 nan 0.000 0.702 1601 G N 4.295 112.986 108.800 -0.181 0.000 2.583 1601 G HA2 0.237 4.197 3.960 0.000 0.000 0.280 1601 G HA3 0.237 4.197 3.960 0.000 0.000 0.280 1601 G C 0.902 175.408 174.900 -0.657 0.000 1.376 1601 G CA -0.596 44.327 45.100 -0.295 0.000 1.043 1601 G HN 0.672 nan 8.290 nan 0.000 0.538 1602 K N -1.118 118.992 120.400 -0.483 0.000 2.360 1602 K HA -0.016 4.304 4.320 0.000 0.000 0.201 1602 K C 0.128 176.488 176.600 -0.399 0.000 1.046 1602 K CA 1.522 57.502 56.287 -0.511 0.000 0.945 1602 K CB 0.191 32.614 32.500 -0.128 0.000 0.750 1602 K HN 0.188 nan 8.250 nan 0.000 0.464 1603 D N 1.087 121.329 120.400 -0.263 0.000 2.424 1603 D HA 0.048 4.688 4.640 0.000 0.000 0.220 1603 D C -0.585 175.682 176.300 -0.055 0.000 1.150 1603 D CA 0.163 54.121 54.000 -0.070 0.000 0.831 1603 D CB 0.962 41.768 40.800 0.011 0.000 0.981 1603 D HN 0.044 nan 8.370 nan 0.000 0.500 1604 T N 1.415 115.827 114.554 -0.236 0.000 2.832 1604 T HA 0.041 4.391 4.350 0.000 0.000 0.313 1604 T C -0.173 174.461 174.700 -0.110 0.000 1.035 1604 T CA -0.657 61.367 62.100 -0.126 0.000 0.950 1604 T CB 0.782 69.614 68.868 -0.061 0.000 0.984 1604 T HN 0.141 nan 8.240 nan 0.000 0.486 1605 W N 5.684 126.723 121.300 -0.434 0.000 2.446 1605 W HA 0.382 5.042 4.660 0.000 0.000 0.316 1605 W C -1.464 174.757 176.519 -0.498 0.000 1.376 1605 W CA -0.352 56.617 57.345 -0.627 0.000 1.300 1605 W CB 0.304 28.773 29.460 -1.651 0.000 1.351 1605 W HN 0.235 nan 8.180 nan 0.000 0.530 1606 V N 6.807 126.348 119.914 -0.621 0.000 2.409 1606 V HA 0.278 4.398 4.120 0.000 0.000 0.291 1606 V C -0.294 175.504 176.094 -0.493 0.000 1.020 1606 V CA -0.680 61.376 62.300 -0.408 0.000 0.848 1606 V CB 1.574 33.232 31.823 -0.275 0.000 0.990 1606 V HN 0.531 nan 8.190 nan 0.000 0.430 1607 E N 2.670 122.777 120.200 -0.156 0.000 2.314 1607 E HA 0.434 4.784 4.350 0.000 0.000 0.272 1607 E C -1.352 175.416 176.600 0.281 0.000 0.884 1607 E CA -0.895 55.508 56.400 0.006 0.000 0.753 1607 E CB 2.011 31.801 29.700 0.151 0.000 1.213 1607 E HN 0.841 nan 8.360 nan 0.000 0.432 1608 H N 3.715 122.878 119.070 0.155 0.000 2.690 1608 H HA 0.123 4.679 4.556 0.000 0.000 0.314 1608 H C -1.247 174.102 175.328 0.034 0.000 1.069 1608 H CA -0.244 55.865 56.048 0.102 0.000 1.436 1608 H CB 0.553 30.348 29.762 0.054 0.000 1.462 1608 H HN 0.334 nan 8.280 nan 0.000 0.511 1609 W N 9.303 130.202 121.300 -0.668 0.000 2.291 1609 W HA 0.277 4.937 4.660 0.000 0.000 0.312 1609 W C -2.752 173.464 176.519 -0.506 0.000 1.061 1609 W CA -2.967 54.136 57.345 -0.403 0.000 1.296 1609 W CB 0.751 30.075 29.460 -0.227 0.000 1.223 1609 W HN 0.632 nan 8.180 nan 0.000 0.421 1610 P HA -0.088 nan 4.420 nan 0.000 0.267 1610 P C -0.102 177.295 177.300 0.163 0.000 1.201 1610 P CA 0.519 63.647 63.100 0.046 0.000 0.775 1610 P CB 0.838 32.539 31.700 0.003 0.000 0.854 1611 E N 0.969 121.249 120.200 0.134 0.000 2.405 1611 E HA -0.019 4.331 4.350 0.000 0.000 0.253 1611 E C 1.248 177.899 176.600 0.086 0.000 1.257 1611 E CA 0.004 56.480 56.400 0.128 0.000 0.960 1611 E CB 0.231 30.003 29.700 0.119 0.000 1.077 1611 E HN 0.350 nan 8.360 nan 0.000 0.512 1612 E N 0.375 120.609 120.200 0.057 0.000 2.051 1612 E HA -0.185 4.165 4.350 0.000 0.000 0.192 1612 E C 0.593 177.217 176.600 0.040 0.000 0.991 1612 E CA 2.029 58.454 56.400 0.042 0.000 0.799 1612 E CB -0.165 29.550 29.700 0.025 0.000 0.748 1612 E HN 0.562 nan 8.360 nan 0.000 0.449 1613 D N -0.715 119.709 120.400 0.041 0.000 2.336 1613 D HA -0.007 4.633 4.640 0.000 0.000 0.228 1613 D C 0.694 177.015 176.300 0.034 0.000 1.120 1613 D CA 0.127 54.146 54.000 0.033 0.000 0.839 1613 D CB 0.006 40.823 40.800 0.029 0.000 0.932 1613 D HN 0.380 nan 8.370 nan 0.000 0.509 1614 E N -0.675 119.550 120.200 0.042 0.000 2.413 1614 E HA 0.074 4.424 4.350 0.000 0.000 0.203 1614 E C 1.058 177.675 176.600 0.027 0.000 0.957 1614 E CA 0.001 56.426 56.400 0.041 0.000 0.950 1614 E CB 0.237 29.977 29.700 0.066 0.000 0.957 1614 E HN 0.231 nan 8.360 nan 0.000 0.497 1615 c N 2.034 120.648 118.600 0.022 0.000 2.491 1615 c HA -0.008 4.562 4.570 0.000 0.000 0.277 1615 c C 2.224 176.316 174.090 0.003 0.000 1.455 1615 c CA 0.275 56.607 56.329 0.005 0.000 1.758 1615 c CB -0.617 41.895 42.510 0.004 0.000 1.745 1615 c HN 0.395 nan 8.230 nan 0.000 0.558 1616 Q N 0.775 120.581 119.800 0.009 0.000 2.230 1616 Q HA -0.007 4.333 4.340 0.000 0.000 0.202 1616 Q C 0.612 176.613 176.000 0.003 0.000 0.963 1616 Q CA 0.814 56.621 55.803 0.006 0.000 0.866 1616 Q CB -0.502 28.242 28.738 0.010 0.000 0.931 1616 Q HN 0.631 nan 8.270 nan 0.000 0.452 1617 D N 2.309 122.711 120.400 0.003 0.000 2.458 1617 D HA -0.079 4.561 4.640 0.000 0.000 0.243 1617 D C 0.618 176.915 176.300 -0.005 0.000 1.146 1617 D CA 0.130 54.130 54.000 -0.000 0.000 0.877 1617 D CB 0.673 41.474 40.800 0.001 0.000 1.176 1617 D HN 0.234 nan 8.370 nan 0.000 0.461 1618 E N 2.030 122.226 120.200 -0.006 0.000 2.461 1618 E HA -0.051 4.300 4.350 0.000 0.000 0.196 1618 E C 0.258 176.851 176.600 -0.012 0.000 1.129 1618 E CA 0.513 56.908 56.400 -0.009 0.000 0.902 1618 E CB -0.029 29.667 29.700 -0.007 0.000 0.963 1618 E HN 0.570 nan 8.360 nan 0.000 0.503 1619 E N 0.095 120.287 120.200 -0.013 0.000 2.536 1619 E HA 0.122 4.472 4.350 0.000 0.000 0.220 1619 E C 0.667 177.255 176.600 -0.019 0.000 0.876 1619 E CA -0.001 56.390 56.400 -0.016 0.000 1.190 1619 E CB 0.420 30.110 29.700 -0.016 0.000 1.191 1619 E HN 0.317 nan 8.360 nan 0.000 0.557 1620 N N 0.619 119.308 118.700 -0.017 0.000 2.205 1620 N HA 0.050 4.790 4.740 0.000 0.000 0.201 1620 N C 1.304 176.793 175.510 -0.036 0.000 1.128 1620 N CA -0.060 52.977 53.050 -0.023 0.000 0.867 1620 N CB 0.499 38.981 38.487 -0.009 0.000 0.996 1620 N HN 0.041 nan 8.380 nan 0.000 0.503 1621 Q N 0.951 120.734 119.800 -0.029 0.000 2.079 1621 Q HA -0.119 4.221 4.340 0.000 0.000 0.200 1621 Q C 1.748 177.722 176.000 -0.043 0.000 0.974 1621 Q CA 1.141 56.924 55.803 -0.032 0.000 0.840 1621 Q CB 0.025 28.750 28.738 -0.022 0.000 0.898 1621 Q HN 0.064 nan 8.270 nan 0.000 0.430 1622 K N 1.185 121.562 120.400 -0.038 0.000 2.209 1622 K HA -0.201 4.119 4.320 0.000 0.000 0.204 1622 K C 1.788 178.353 176.600 -0.058 0.000 1.048 1622 K CA 1.434 57.697 56.287 -0.040 0.000 0.940 1622 K CB 0.025 32.507 32.500 -0.030 0.000 0.729 1622 K HN 0.193 nan 8.250 nan 0.000 0.451 1623 Q N -1.372 118.383 119.800 -0.076 0.000 2.297 1623 Q HA -0.011 4.330 4.340 0.000 0.000 0.203 1623 Q C 1.766 177.651 176.000 -0.190 0.000 0.931 1623 Q CA 0.879 56.611 55.803 -0.118 0.000 0.885 1623 Q CB 0.063 28.737 28.738 -0.107 0.000 0.991 1623 Q HN 0.380 nan 8.270 nan 0.000 0.498 1624 c N 1.020 119.523 118.600 -0.161 0.000 2.440 1624 c HA -0.084 4.486 4.570 0.000 0.000 0.278 1624 c C 2.458 176.467 174.090 -0.136 0.000 1.295 1624 c CA 0.743 56.962 56.329 -0.183 0.000 1.738 1624 c CB -0.665 41.786 42.510 -0.099 0.000 1.987 1624 c HN 0.587 nan 8.230 nan 0.000 0.492 1625 Q N 0.478 120.226 119.800 -0.087 0.000 2.123 1625 Q HA -0.136 4.204 4.340 0.000 0.000 0.199 1625 Q C 1.580 177.549 176.000 -0.052 0.000 0.966 1625 Q CA 1.221 56.993 55.803 -0.053 0.000 0.845 1625 Q CB -0.171 28.546 28.738 -0.036 0.000 0.907 1625 Q HN 0.639 nan 8.270 nan 0.000 0.439 1626 D N 0.836 121.192 120.400 -0.075 0.000 2.117 1626 D HA -0.094 4.546 4.640 0.000 0.000 0.198 1626 D C 1.934 178.202 176.300 -0.053 0.000 0.982 1626 D CA 0.880 54.847 54.000 -0.055 0.000 0.828 1626 D CB -0.116 40.642 40.800 -0.069 0.000 0.967 1626 D HN 0.159 nan 8.370 nan 0.000 0.464 1627 L N 0.492 121.598 121.223 -0.195 0.000 2.056 1627 L HA -0.033 4.307 4.340 0.000 0.000 0.207 1627 L C 2.539 179.380 176.870 -0.048 0.000 1.078 1627 L CA 1.379 56.029 54.840 -0.315 0.000 0.749 1627 L CB -0.687 40.756 42.059 -1.026 0.000 0.901 1627 L HN 0.095 nan 8.230 nan 0.000 0.433 1628 G N -0.486 108.293 108.800 -0.036 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 1.743 176.703 174.900 0.101 0.000 1.158 1628 G CA 0.780 45.938 45.100 0.097 0.000 0.771 1628 G HN 0.460 nan 8.290 nan 0.000 0.545 1629 A N 0.175 123.032 122.820 0.062 0.000 1.968 1629 A HA 0.165 4.485 4.320 0.000 0.000 0.217 1629 A C 2.122 179.744 177.584 0.063 0.000 1.169 1629 A CA 1.291 53.352 52.037 0.040 0.000 0.638 1629 A CB -0.475 18.532 19.000 0.011 0.000 0.812 1629 A HN 0.398 nan 8.150 nan 0.000 0.446 1630 F N 1.415 121.351 119.950 -0.024 0.000 2.293 1630 F HA -0.117 4.411 4.527 0.000 0.000 0.300 1630 F C 2.283 178.104 175.800 0.036 0.000 1.086 1630 F CA 2.006 59.996 58.000 -0.016 0.000 1.375 1630 F CB -0.330 38.663 39.000 -0.012 0.000 1.045 1630 F HN 0.196 nan 8.300 nan 0.000 0.516 1631 T N 0.099 114.749 114.554 0.161 0.000 2.701 1631 T HA -0.171 4.179 4.350 0.000 0.000 0.263 1631 T C 1.703 176.395 174.700 -0.013 0.000 1.040 1631 T CA 1.778 63.951 62.100 0.121 0.000 1.147 1631 T CB -0.293 68.731 68.868 0.259 0.000 0.865 1631 T HN 0.363 nan 8.240 nan 0.000 0.426 1632 E N 0.983 121.184 120.200 0.002 0.000 2.204 1632 E HA -0.035 4.315 4.350 0.000 0.000 0.194 1632 E C 2.137 178.704 176.600 -0.055 0.000 0.989 1632 E CA 0.690 57.083 56.400 -0.011 0.000 0.824 1632 E CB -0.109 29.593 29.700 0.003 0.000 0.756 1632 E HN 0.271 nan 8.360 nan 0.000 0.477 1633 S N -0.460 115.155 115.700 -0.141 0.000 2.607 1633 S HA 0.016 4.487 4.470 0.000 0.000 0.224 1633 S C 1.473 175.953 174.600 -0.200 0.000 0.969 1633 S CA 0.436 58.514 58.200 -0.205 0.000 0.927 1633 S CB 0.138 63.177 63.200 -0.269 0.000 0.772 1633 S HN 0.127 nan 8.310 nan 0.000 0.533 1634 M N 0.079 119.540 119.600 -0.232 0.000 2.777 1634 M HA 0.175 4.655 4.480 0.000 0.000 0.244 1634 M C 2.097 178.342 176.300 -0.091 0.000 1.457 1634 M CA 0.749 55.906 55.300 -0.238 0.000 1.174 1634 M CB -0.836 31.500 32.600 -0.440 0.000 1.321 1634 M HN 0.289 nan 8.290 nan 0.000 0.546 1635 V N -2.141 117.742 119.914 -0.051 0.000 2.343 1635 V HA -0.075 4.045 4.120 0.000 0.000 0.247 1635 V C 1.978 178.080 176.094 0.012 0.000 1.051 1635 V CA 1.745 64.043 62.300 -0.005 0.000 1.036 1635 V CB -1.255 30.577 31.823 0.015 0.000 0.654 1635 V HN 0.273 nan 8.190 nan 0.000 0.451 1636 V N -2.097 117.841 119.914 0.040 0.000 3.379 1636 V HA 0.278 4.398 4.120 0.000 0.000 0.249 1636 V C 1.756 177.880 176.094 0.050 0.000 1.184 1636 V CA 0.614 62.943 62.300 0.048 0.000 1.106 1636 V CB 0.685 32.553 31.823 0.075 0.000 0.826 1636 V HN 0.400 nan 8.190 nan 0.000 0.465 1637 F N 0.973 120.881 119.950 -0.071 0.000 2.202 1637 F HA 0.651 5.179 4.527 0.000 0.000 0.266 1637 F C 1.385 177.136 175.800 -0.082 0.000 1.173 1637 F CA 1.692 59.648 58.000 -0.074 0.000 1.075 1637 F CB 0.140 39.089 39.000 -0.085 0.000 1.046 1637 F HN 0.326 nan 8.300 nan 0.000 0.531 1638 G N -1.357 107.534 108.800 0.151 0.000 2.334 1638 G HA2 -0.045 3.915 3.960 0.000 0.000 0.315 1638 G HA3 -0.045 3.915 3.960 0.000 0.000 0.315 1638 G C -1.642 173.267 174.900 0.014 0.000 1.284 1638 G CA -0.949 44.160 45.100 0.016 0.000 0.985 1638 G HN 0.493 nan 8.290 nan 0.000 0.504 1639 c N 2.003 120.583 118.600 -0.032 0.000 2.601 1639 c HA 0.484 5.054 4.570 0.000 0.000 0.409 1639 c C 0.024 174.110 174.090 -0.006 0.000 1.293 1639 c CA 0.007 56.312 56.329 -0.040 0.000 2.101 1639 c CB 0.870 43.343 42.510 -0.063 0.000 2.639 1639 c HN 0.649 nan 8.230 nan 0.000 0.592 1640 P HA -0.039 nan 4.420 nan 0.000 0.244 1640 P C 0.050 177.350 177.300 0.001 0.000 1.211 1640 P CA 0.905 64.014 63.100 0.016 0.000 0.760 1640 P CB 0.091 31.794 31.700 0.006 0.000 0.961 1641 N N 0.000 118.693 118.700 -0.011 0.000 1.763 1641 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1641 N CA 0.000 53.043 53.050 -0.012 0.000 0.885 1641 N CB 0.000 38.477 38.487 -0.016 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667