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 3p9q_1_C DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.564 174.600 -0.060 0.000 1.055 28 S CA 0.000 58.171 58.200 -0.049 0.000 1.107 28 S CB 0.000 63.170 63.200 -0.051 0.000 0.593 29 L N 2.439 123.618 121.223 -0.074 0.000 2.513 29 L HA 0.430 4.803 4.340 0.054 0.000 0.222 29 L C 1.391 178.186 176.870 -0.126 0.000 1.096 29 L CA 0.227 55.020 54.840 -0.078 0.000 0.857 29 L CB -0.286 41.738 42.059 -0.059 0.000 1.026 29 L HN 0.684 nan 8.230 nan 0.000 0.469 30 A N 1.841 124.535 122.820 -0.210 0.000 2.445 30 A HA 0.355 4.707 4.320 0.054 0.000 0.242 30 A C -1.988 175.444 177.584 -0.253 0.000 1.075 30 A CA -0.880 50.910 52.037 -0.413 0.000 0.777 30 A CB -0.567 17.922 19.000 -0.852 0.000 1.013 30 A HN -0.008 nan 8.150 nan 0.000 0.493 31 P HA 0.101 nan 4.420 nan 0.000 0.271 31 P C 0.246 177.528 177.300 -0.029 0.000 1.218 31 P CA -0.027 63.036 63.100 -0.063 0.000 0.780 31 P CB 0.874 32.577 31.700 0.005 0.000 0.901 32 E N 1.559 121.751 120.200 -0.013 0.000 2.160 32 E HA -0.235 4.147 4.350 0.054 0.000 0.195 32 E C 1.100 177.719 176.600 0.031 0.000 0.991 32 E CA 1.839 58.240 56.400 0.003 0.000 0.810 32 E CB -0.277 29.423 29.700 -0.000 0.000 0.742 32 E HN 0.533 nan 8.360 nan 0.000 0.466 33 D N -1.494 118.930 120.400 0.041 0.000 2.349 33 D HA 0.033 4.706 4.640 0.054 0.000 0.224 33 D C 1.225 177.574 176.300 0.082 0.000 1.029 33 D CA 0.768 54.798 54.000 0.050 0.000 0.879 33 D CB -0.209 40.613 40.800 0.037 0.000 0.906 33 D HN 0.252 nan 8.370 nan 0.000 0.528 34 G N 0.389 109.281 108.800 0.153 0.000 2.155 34 G HA2 -0.359 3.634 3.960 0.054 0.000 0.257 34 G HA3 -0.359 3.634 3.960 0.054 0.000 0.257 34 G C 1.008 176.003 174.900 0.158 0.000 0.983 34 G CA 0.832 46.072 45.100 0.233 0.000 0.676 34 G HN 0.707 nan 8.290 nan 0.000 0.528 35 S N 0.496 116.296 115.700 0.166 0.000 2.607 35 S HA 0.011 4.513 4.470 0.054 0.000 0.224 35 S C 1.878 176.535 174.600 0.096 0.000 0.969 35 S CA 1.029 59.278 58.200 0.082 0.000 0.927 35 S CB -0.492 62.746 63.200 0.063 0.000 0.772 35 S HN 0.918 nan 8.310 nan 0.000 0.533 36 H N 0.915 119.992 119.070 0.011 0.000 2.502 36 H HA 0.253 4.841 4.556 0.053 0.000 0.283 36 H C 0.800 176.140 175.328 0.019 0.000 1.015 36 H CA 0.311 56.366 56.048 0.013 0.000 1.298 36 H CB -0.330 29.439 29.762 0.011 0.000 1.411 36 H HN 0.323 nan 8.280 nan 0.000 0.556 37 R N 2.437 122.594 120.500 -0.572 0.000 2.207 37 R HA 0.332 4.705 4.340 0.054 0.000 0.334 37 R C -2.562 173.642 176.300 -0.160 0.000 1.013 37 R CA -1.963 53.897 56.100 -0.400 0.000 0.858 37 R CB 0.739 30.734 30.300 -0.509 0.000 1.094 37 R HN 0.115 nan 8.270 nan 0.000 0.457 38 P HA 0.047 nan 4.420 nan 0.000 0.266 38 P C -1.016 176.273 177.300 -0.017 0.000 1.195 38 P CA -0.102 62.986 63.100 -0.019 0.000 0.768 38 P CB 0.898 32.612 31.700 0.025 0.000 0.838 39 A N 3.225 126.041 122.820 -0.006 0.000 2.546 39 A HA 0.335 4.687 4.320 0.054 0.000 0.243 39 A C 0.943 178.536 177.584 0.015 0.000 1.063 39 A CA 0.262 52.300 52.037 0.001 0.000 0.757 39 A CB -0.475 18.528 19.000 0.005 0.000 0.991 39 A HN 0.583 nan 8.150 nan 0.000 0.503 40 A N 3.483 126.311 122.820 0.014 0.000 3.135 40 A HA 0.497 4.850 4.320 0.054 0.000 0.253 40 A C 0.390 177.991 177.584 0.027 0.000 1.638 40 A CA 0.159 52.210 52.037 0.024 0.000 1.295 40 A CB -0.803 18.208 19.000 0.019 0.000 1.106 40 A HN 0.917 nan 8.150 nan 0.000 0.648 41 E N -0.928 119.291 120.200 0.031 0.000 2.423 41 E HA 0.495 4.878 4.350 0.054 0.000 0.280 41 E C -3.308 173.313 176.600 0.036 0.000 1.030 41 E CA -2.496 53.924 56.400 0.034 0.000 0.812 41 E CB 0.537 30.252 29.700 0.025 0.000 1.313 41 E HN 0.038 nan 8.360 nan 0.000 0.456 42 P HA 0.114 nan 4.420 nan 0.000 0.267 42 P C -0.899 176.409 177.300 0.013 0.000 1.205 42 P CA 0.273 63.388 63.100 0.024 0.000 0.765 42 P CB 0.607 32.313 31.700 0.009 0.000 0.828 43 T N 0.783 115.340 114.554 0.004 0.000 2.916 43 T HA 0.624 5.006 4.350 0.054 0.000 0.305 43 T C -3.000 171.674 174.700 -0.043 0.000 1.119 43 T CA -2.509 59.589 62.100 -0.004 0.000 1.008 43 T CB 1.824 70.695 68.868 0.005 0.000 1.129 43 T HN 0.075 nan 8.240 nan 0.000 0.480 44 P HA 0.404 nan 4.420 nan 0.000 0.276 44 P C -2.791 174.372 177.300 -0.228 0.000 1.252 44 P CA -1.721 61.238 63.100 -0.234 0.000 0.802 44 P CB -0.815 30.802 31.700 -0.138 0.000 1.035 45 P HA 0.043 nan 4.420 nan 0.000 0.264 45 P C 1.084 178.334 177.300 -0.083 0.000 1.183 45 P CA 1.489 64.489 63.100 -0.167 0.000 0.763 45 P CB -0.264 31.331 31.700 -0.176 0.000 0.807 46 G N 2.501 111.282 108.800 -0.032 0.000 2.205 46 G HA2 -0.347 3.645 3.960 0.054 0.000 0.261 46 G HA3 -0.347 3.645 3.960 0.054 0.000 0.261 46 G C 1.129 176.025 174.900 -0.006 0.000 0.980 46 G CA 0.427 45.521 45.100 -0.009 0.000 0.632 46 G HN 0.685 nan 8.290 nan 0.000 0.533 47 A N -1.239 121.573 122.820 -0.013 0.000 2.016 47 A HA 0.450 4.803 4.320 0.054 0.000 0.217 47 A C 1.324 178.910 177.584 0.004 0.000 1.162 47 A CA 1.931 53.965 52.037 -0.004 0.000 0.662 47 A CB 0.037 19.032 19.000 -0.008 0.000 0.812 47 A HN 0.479 nan 8.150 nan 0.000 0.450 48 Q N -1.115 118.691 119.800 0.010 0.000 2.501 48 Q HA 0.441 4.813 4.340 0.054 0.000 0.288 48 Q C -2.978 173.037 176.000 0.024 0.000 1.051 48 Q CA -1.946 53.867 55.803 0.016 0.000 0.788 48 Q CB 1.086 29.837 28.738 0.023 0.000 1.469 48 Q HN 0.059 nan 8.270 nan 0.000 0.416 49 P HA 0.090 nan 4.420 nan 0.000 0.272 49 P C -0.320 177.012 177.300 0.054 0.000 1.223 49 P CA -0.053 63.062 63.100 0.025 0.000 0.784 49 P CB 0.278 31.990 31.700 0.019 0.000 0.923 50 T N -0.990 113.598 114.554 0.057 0.000 2.828 50 T HA 0.625 5.008 4.350 0.054 0.000 0.290 50 T C -0.039 174.754 174.700 0.154 0.000 1.019 50 T CA -0.533 61.653 62.100 0.143 0.000 1.031 50 T CB 0.688 69.592 68.868 0.061 0.000 1.001 50 T HN 0.556 nan 8.240 nan 0.000 0.531 51 A N 1.724 124.734 122.820 0.315 0.000 2.594 51 A HA 0.807 5.160 4.320 0.054 0.000 0.291 51 A C -2.979 174.869 177.584 0.440 0.000 1.105 51 A CA -2.094 50.100 52.037 0.262 0.000 0.694 51 A CB 0.711 19.816 19.000 0.174 0.000 1.291 51 A HN 0.673 nan 8.150 nan 0.000 0.410 52 P HA 0.143 nan 4.420 nan 0.000 0.266 52 P C 1.141 178.593 177.300 0.253 0.000 1.195 52 P CA 0.780 64.096 63.100 0.361 0.000 0.768 52 P CB 0.586 32.421 31.700 0.224 0.000 0.838 53 G N 2.229 111.142 108.800 0.190 0.000 2.440 53 G HA2 -0.284 3.709 3.960 0.054 0.000 0.218 53 G HA3 -0.284 3.709 3.960 0.054 0.000 0.218 53 G C 1.574 176.495 174.900 0.035 0.000 1.154 53 G CA 1.123 46.248 45.100 0.041 0.000 0.767 53 G HN 0.592 nan 8.290 nan 0.000 0.552 54 S N 0.163 115.887 115.700 0.039 0.000 2.447 54 S HA 0.101 4.603 4.470 0.054 0.000 0.233 54 S C 2.269 176.890 174.600 0.035 0.000 1.006 54 S CA 0.886 59.094 58.200 0.015 0.000 0.957 54 S CB -0.216 62.986 63.200 0.003 0.000 0.773 54 S HN 0.321 nan 8.310 nan 0.000 0.507 55 L N 0.023 121.284 121.223 0.062 0.000 2.162 55 L HA 0.202 4.575 4.340 0.054 0.000 0.205 55 L C 2.763 179.667 176.870 0.057 0.000 1.086 55 L CA 1.005 55.881 54.840 0.059 0.000 0.778 55 L CB -0.417 41.685 42.059 0.072 0.000 0.928 55 L HN 0.247 nan 8.230 nan 0.000 0.446 56 K N 1.315 121.760 120.400 0.075 0.000 2.103 56 K HA 0.021 4.373 4.320 0.054 0.000 0.204 56 K C 0.706 177.337 176.600 0.051 0.000 1.052 56 K CA 1.253 57.583 56.287 0.072 0.000 0.945 56 K CB 0.071 32.629 32.500 0.096 0.000 0.722 56 K HN 0.170 nan 8.250 nan 0.000 0.443 57 A N 0.836 123.679 122.820 0.038 0.000 3.317 57 A HA 0.358 4.710 4.320 0.054 0.000 0.307 57 A C -2.187 175.403 177.584 0.010 0.000 1.003 57 A CA -1.025 51.031 52.037 0.030 0.000 0.882 57 A CB 0.630 19.651 19.000 0.035 0.000 1.136 57 A HN 0.130 nan 8.150 nan 0.000 0.488 58 P HA -0.113 nan 4.420 nan 0.000 0.222 58 P C 0.165 177.459 177.300 -0.010 0.000 1.147 58 P CA 1.082 64.182 63.100 0.000 0.000 0.790 58 P CB 0.324 32.029 31.700 0.007 0.000 0.780 59 D N -0.740 119.658 120.400 -0.003 0.000 2.355 59 D HA 0.005 4.677 4.640 0.054 0.000 0.218 59 D C 0.484 176.770 176.300 -0.023 0.000 1.004 59 D CA 0.676 54.670 54.000 -0.009 0.000 0.880 59 D CB -0.370 40.431 40.800 0.003 0.000 0.911 59 D HN 0.143 nan 8.370 nan 0.000 0.528 60 T N 2.407 116.944 114.554 -0.029 0.000 2.869 60 T HA 0.349 4.731 4.350 0.054 0.000 0.295 60 T C 0.518 175.173 174.700 -0.076 0.000 0.987 60 T CA -0.476 61.591 62.100 -0.055 0.000 1.109 60 T CB 1.421 70.254 68.868 -0.059 0.000 0.932 60 T HN 0.112 nan 8.240 nan 0.000 0.518 61 R N 1.743 122.188 120.500 -0.091 0.000 2.764 61 R HA 0.619 4.992 4.340 0.054 0.000 0.270 61 R C -1.451 174.786 176.300 -0.104 0.000 1.014 61 R CA -0.967 55.075 56.100 -0.097 0.000 0.904 61 R CB 1.059 31.311 30.300 -0.080 0.000 1.236 61 R HN 0.757 nan 8.270 nan 0.000 0.466 62 N N -1.756 116.887 118.700 -0.095 0.000 3.106 62 N HA 0.101 4.874 4.740 0.054 0.000 0.253 62 N C 0.044 175.512 175.510 -0.071 0.000 1.506 62 N CA -0.576 52.432 53.050 -0.070 0.000 0.876 62 N CB 0.709 39.186 38.487 -0.017 0.000 1.452 62 N HN 0.710 nan 8.380 nan 0.000 0.542 63 E N -0.374 119.801 120.200 -0.043 0.000 2.110 63 E HA -0.241 4.141 4.350 0.054 0.000 0.193 63 E C 1.066 177.602 176.600 -0.106 0.000 0.988 63 E CA 1.385 57.756 56.400 -0.048 0.000 0.804 63 E CB 0.085 29.784 29.700 -0.003 0.000 0.745 63 E HN 0.491 nan 8.360 nan 0.000 0.458 64 K N 0.681 120.983 120.400 -0.163 0.000 2.062 64 K HA -0.056 4.297 4.320 0.054 0.000 0.205 64 K C 2.083 178.522 176.600 -0.269 0.000 1.051 64 K CA 0.985 57.081 56.287 -0.319 0.000 0.941 64 K CB -0.358 31.765 32.500 -0.628 0.000 0.719 64 K HN 0.164 nan 8.250 nan 0.000 0.440 65 L N 1.017 122.096 121.223 -0.241 0.000 2.079 65 L HA -0.227 4.146 4.340 0.054 0.000 0.210 65 L C 1.814 178.575 176.870 -0.182 0.000 1.081 65 L CA 1.315 55.992 54.840 -0.271 0.000 0.752 65 L CB -0.654 41.238 42.059 -0.278 0.000 0.896 65 L HN 0.262 nan 8.230 nan 0.000 0.433 66 N N -0.286 118.332 118.700 -0.137 0.000 2.166 66 N HA -0.163 4.610 4.740 0.054 0.000 0.186 66 N C 2.050 177.505 175.510 -0.092 0.000 1.019 66 N CA 1.703 54.694 53.050 -0.098 0.000 0.856 66 N CB -0.468 37.975 38.487 -0.074 0.000 0.993 66 N HN 0.393 nan 8.380 nan 0.000 0.426 67 S N 0.225 115.861 115.700 -0.107 0.000 2.481 67 S HA 0.062 4.564 4.470 0.054 0.000 0.231 67 S C 1.744 176.287 174.600 -0.095 0.000 0.996 67 S CA 0.283 58.429 58.200 -0.091 0.000 0.942 67 S CB -0.402 62.741 63.200 -0.095 0.000 0.768 67 S HN 0.234 nan 8.310 nan 0.000 0.520 68 L N 0.826 121.976 121.223 -0.122 0.000 2.599 68 L HA 0.223 4.596 4.340 0.054 0.000 0.230 68 L C 2.544 179.368 176.870 -0.076 0.000 1.141 68 L CA 0.507 55.283 54.840 -0.106 0.000 0.877 68 L CB -0.326 41.650 42.059 -0.139 0.000 1.009 68 L HN 0.288 nan 8.230 nan 0.000 0.447 69 E N 1.161 121.320 120.200 -0.069 0.000 2.204 69 E HA -0.250 4.132 4.350 0.054 0.000 0.195 69 E C 1.628 178.209 176.600 -0.033 0.000 0.990 69 E CA 1.475 57.847 56.400 -0.048 0.000 0.821 69 E CB 0.001 29.674 29.700 -0.043 0.000 0.750 69 E HN 0.575 nan 8.360 nan 0.000 0.477 70 D N -0.526 119.853 120.400 -0.034 0.000 2.263 70 D HA -0.148 4.524 4.640 0.054 0.000 0.208 70 D C 1.625 177.912 176.300 -0.021 0.000 0.971 70 D CA 1.433 55.418 54.000 -0.025 0.000 0.867 70 D CB -0.372 40.413 40.800 -0.025 0.000 0.929 70 D HN 0.283 nan 8.370 nan 0.000 0.492 71 V N -3.714 116.185 119.914 -0.023 0.000 3.578 71 V HA 0.333 4.486 4.120 0.054 0.000 0.290 71 V C 0.733 176.821 176.094 -0.010 0.000 1.376 71 V CA -0.707 61.584 62.300 -0.015 0.000 1.083 71 V CB -0.613 31.202 31.823 -0.013 0.000 0.911 71 V HN -0.147 nan 8.190 nan 0.000 0.433 72 R N 2.104 122.596 120.500 -0.013 0.000 2.491 72 R HA 0.441 4.814 4.340 0.054 0.000 0.283 72 R C -0.385 175.915 176.300 -0.000 0.000 1.072 72 R CA 0.138 56.237 56.100 -0.001 0.000 1.048 72 R CB 0.661 30.959 30.300 -0.003 0.000 0.983 72 R HN 0.443 nan 8.270 nan 0.000 0.450 73 K N 1.266 121.669 120.400 0.006 0.000 2.323 73 K HA 0.299 4.651 4.320 0.054 0.000 0.259 73 K C 0.203 176.814 176.600 0.019 0.000 0.947 73 K CA -0.519 55.758 56.287 -0.016 0.000 0.819 73 K CB 2.333 34.811 32.500 -0.037 0.000 1.109 73 K HN 0.698 nan 8.250 nan 0.000 0.429 74 G N 0.326 109.151 108.800 0.043 0.000 2.582 74 G HA2 0.244 4.237 3.960 0.054 0.000 0.232 74 G HA3 0.244 4.237 3.960 0.054 0.000 0.232 74 G C 0.563 175.561 174.900 0.162 0.000 1.458 74 G CA 0.280 45.461 45.100 0.135 0.000 1.062 74 G HN 0.652 nan 8.290 nan 0.000 0.566 75 S N -2.749 113.135 115.700 0.307 0.000 2.707 75 S HA 0.094 4.596 4.470 0.054 0.000 0.224 75 S C 0.206 174.977 174.600 0.285 0.000 0.931 75 S CA -0.110 58.266 58.200 0.293 0.000 1.243 75 S CB -0.032 63.254 63.200 0.144 0.000 0.949 75 S HN 0.484 nan 8.310 nan 0.000 0.384 76 E N 3.014 123.300 120.200 0.143 0.000 2.465 76 E HA 0.265 4.648 4.350 0.054 0.000 0.260 76 E C -0.219 176.299 176.600 -0.136 0.000 0.980 76 E CA 0.336 56.749 56.400 0.021 0.000 0.927 76 E CB 0.054 29.758 29.700 0.007 0.000 0.934 76 E HN 0.413 nan 8.360 nan 0.000 0.459 77 N N 0.823 119.458 118.700 -0.108 0.000 2.909 77 N HA -0.210 4.562 4.740 0.054 0.000 0.242 77 N C -1.045 174.324 175.510 -0.234 0.000 0.975 77 N CA 1.082 54.020 53.050 -0.187 0.000 0.921 77 N CB -1.319 37.019 38.487 -0.248 0.000 1.112 77 N HN 0.379 nan 8.380 nan 0.000 0.581 78 Y N 0.795 121.101 120.300 0.010 0.000 2.376 78 Y HA 0.620 5.203 4.550 0.055 0.000 0.325 78 Y C 1.041 176.944 175.900 0.006 0.000 1.199 78 Y CA -0.442 57.663 58.100 0.008 0.000 1.206 78 Y CB 0.894 39.359 38.460 0.009 0.000 1.229 78 Y HN 0.123 nan 8.280 nan 0.000 0.480 79 A N 2.450 125.385 122.820 0.192 0.000 2.371 79 A HA 0.431 4.784 4.320 0.054 0.000 0.257 79 A C -0.789 176.846 177.584 0.085 0.000 1.089 79 A CA -0.568 51.530 52.037 0.102 0.000 0.794 79 A CB 0.141 19.187 19.000 0.076 0.000 1.029 79 A HN 0.719 nan 8.150 nan 0.000 0.488 80 L N 2.681 123.934 121.223 0.050 0.000 2.410 80 L HA 0.502 4.875 4.340 0.054 0.000 0.273 80 L C 0.643 177.522 176.870 0.015 0.000 1.144 80 L CA 1.100 55.955 54.840 0.025 0.000 0.863 80 L CB 0.424 42.490 42.059 0.011 0.000 1.140 80 L HN 0.904 nan 8.230 nan 0.000 0.463 81 T N 0.369 114.927 114.554 0.006 0.000 2.887 81 T HA 0.649 5.031 4.350 0.054 0.000 0.292 81 T C 0.197 174.899 174.700 0.003 0.000 1.087 81 T CA -0.190 61.917 62.100 0.010 0.000 1.009 81 T CB 1.060 69.936 68.868 0.014 0.000 1.203 81 T HN 0.796 nan 8.240 nan 0.000 0.518 82 T N 0.402 114.972 114.554 0.026 0.000 2.701 82 T HA 0.193 4.575 4.350 0.054 0.000 0.303 82 T C 1.054 175.771 174.700 0.029 0.000 1.030 82 T CA -0.477 61.648 62.100 0.041 0.000 1.010 82 T CB -0.075 68.861 68.868 0.114 0.000 1.007 82 T HN 0.577 nan 8.240 nan 0.000 0.532 83 N N 0.527 119.247 118.700 0.033 0.000 2.520 83 N HA -0.061 4.711 4.740 0.054 0.000 0.185 83 N C 1.467 176.997 175.510 0.034 0.000 1.068 83 N CA 0.498 53.561 53.050 0.021 0.000 0.911 83 N CB -0.128 38.380 38.487 0.034 0.000 0.961 83 N HN 0.561 nan 8.380 nan 0.000 0.446 84 Q N -0.474 119.359 119.800 0.055 0.000 2.320 84 Q HA 0.186 4.558 4.340 0.054 0.000 0.201 84 Q C 0.823 176.847 176.000 0.039 0.000 0.910 84 Q CA 0.105 55.937 55.803 0.047 0.000 0.946 84 Q CB 0.368 29.142 28.738 0.059 0.000 1.062 84 Q HN 0.391 nan 8.270 nan 0.000 0.503 85 G N 0.444 109.264 108.800 0.034 0.000 2.143 85 G HA2 -0.241 3.751 3.960 0.054 0.000 0.249 85 G HA3 -0.241 3.751 3.960 0.054 0.000 0.249 85 G C 0.104 175.031 174.900 0.044 0.000 0.981 85 G CA 0.185 45.301 45.100 0.027 0.000 0.665 85 G HN 0.235 nan 8.290 nan 0.000 0.528 86 V N 1.606 121.563 119.914 0.071 0.000 2.432 86 V HA 0.397 4.549 4.120 0.054 0.000 0.275 86 V C 1.268 177.403 176.094 0.068 0.000 1.043 86 V CA -0.672 61.682 62.300 0.089 0.000 0.925 86 V CB 1.224 33.146 31.823 0.165 0.000 0.985 86 V HN 0.402 nan 8.190 nan 0.000 0.466 87 R N 4.198 124.730 120.500 0.054 0.000 2.590 87 R HA 0.385 4.757 4.340 0.054 0.000 0.274 87 R C -0.537 175.778 176.300 0.025 0.000 1.061 87 R CA -0.076 56.046 56.100 0.037 0.000 1.081 87 R CB 0.569 30.890 30.300 0.036 0.000 0.984 87 R HN 0.571 nan 8.270 nan 0.000 0.448 88 I N 1.756 122.328 120.570 0.004 0.000 2.392 88 I HA 0.143 4.346 4.170 0.054 0.000 0.295 88 I C 0.893 177.000 176.117 -0.017 0.000 0.985 88 I CA -0.023 61.263 61.300 -0.024 0.000 1.221 88 I CB 1.930 39.905 38.000 -0.042 0.000 1.366 88 I HN 0.768 nan 8.210 nan 0.000 0.467 89 A N 3.863 126.668 122.820 -0.024 0.000 1.901 89 A HA 0.033 4.385 4.320 0.054 0.000 0.210 89 A C 0.626 178.195 177.584 -0.025 0.000 1.208 89 A CA 0.839 52.865 52.037 -0.017 0.000 0.644 89 A CB 0.086 19.079 19.000 -0.012 0.000 0.863 89 A HN 0.677 nan 8.150 nan 0.000 0.454 90 D N -0.382 119.994 120.400 -0.039 0.000 2.440 90 D HA 0.335 5.007 4.640 0.054 0.000 0.252 90 D C -1.345 174.923 176.300 -0.054 0.000 1.180 90 D CA -0.348 53.627 54.000 -0.041 0.000 0.894 90 D CB 1.160 41.936 40.800 -0.040 0.000 1.111 90 D HN 0.075 nan 8.370 nan 0.000 0.544 91 D N 2.028 122.399 120.400 -0.047 0.000 2.395 91 D HA 0.058 4.730 4.640 0.054 0.000 0.226 91 D C 0.548 176.816 176.300 -0.053 0.000 1.146 91 D CA 0.234 54.202 54.000 -0.054 0.000 0.830 91 D CB 0.479 41.252 40.800 -0.045 0.000 0.958 91 D HN 0.211 nan 8.370 nan 0.000 0.501 92 Q N -0.594 119.177 119.800 -0.049 0.000 2.246 92 Q HA 0.278 4.650 4.340 0.054 0.000 0.222 92 Q C -0.244 175.726 176.000 -0.049 0.000 0.851 92 Q CA 0.128 55.903 55.803 -0.047 0.000 0.945 92 Q CB 0.827 29.542 28.738 -0.038 0.000 1.122 92 Q HN 0.194 nan 8.270 nan 0.000 0.508 93 N N 0.018 118.687 118.700 -0.053 0.000 2.277 93 N HA 0.305 5.078 4.740 0.054 0.000 0.286 93 N C -0.951 174.524 175.510 -0.058 0.000 1.140 93 N CA -0.227 52.793 53.050 -0.050 0.000 0.799 93 N CB 2.128 40.591 38.487 -0.041 0.000 1.596 93 N HN -0.179 nan 8.380 nan 0.000 0.473 94 S N 0.732 116.401 115.700 -0.052 0.000 2.614 94 S HA 0.276 4.778 4.470 0.054 0.000 0.265 94 S C 0.163 174.737 174.600 -0.044 0.000 1.303 94 S CA -0.546 57.622 58.200 -0.053 0.000 1.000 94 S CB 0.693 63.868 63.200 -0.042 0.000 0.935 94 S HN 0.400 nan 8.310 nan 0.000 0.551 95 L N 3.141 124.338 121.223 -0.044 0.000 2.313 95 L HA 0.424 4.797 4.340 0.054 0.000 0.282 95 L C 0.063 176.925 176.870 -0.014 0.000 1.092 95 L CA 0.286 55.109 54.840 -0.028 0.000 0.831 95 L CB -0.093 41.952 42.059 -0.023 0.000 1.159 95 L HN 0.715 nan 8.230 nan 0.000 0.442 96 R N 4.231 124.725 120.500 -0.010 0.000 2.808 96 R HA 0.870 5.243 4.340 0.054 0.000 0.272 96 R C -1.118 175.181 176.300 -0.001 0.000 0.995 96 R CA -0.865 55.232 56.100 -0.006 0.000 0.917 96 R CB 1.194 31.489 30.300 -0.009 0.000 1.217 96 R HN 0.583 nan 8.270 nan 0.000 0.471 97 A N 1.402 124.222 122.820 0.001 0.000 2.666 97 A HA 0.584 4.936 4.320 0.054 0.000 0.312 97 A C 0.625 178.209 177.584 0.000 0.000 1.471 97 A CA 0.294 52.332 52.037 0.003 0.000 1.134 97 A CB -0.873 18.130 19.000 0.005 0.000 1.129 97 A HN 1.234 nan 8.150 nan 0.000 0.539 98 G N 1.177 109.977 108.800 -0.001 0.000 2.712 98 G HA2 0.020 4.012 3.960 0.054 0.000 0.686 98 G HA3 0.020 4.012 3.960 0.054 0.000 0.686 98 G C 0.677 175.574 174.900 -0.005 0.000 1.321 98 G CA 0.136 45.234 45.100 -0.003 0.000 0.813 98 G HN 1.858 nan 8.290 nan 0.000 0.599 99 S N -0.469 115.227 115.700 -0.006 0.000 2.561 99 S HA 0.060 4.562 4.470 0.054 0.000 0.225 99 S C 1.539 176.134 174.600 -0.010 0.000 0.977 99 S CA 1.244 59.438 58.200 -0.009 0.000 0.926 99 S CB 0.119 63.313 63.200 -0.010 0.000 0.769 99 S HN 0.733 nan 8.310 nan 0.000 0.533 100 R N 0.755 121.251 120.500 -0.008 0.000 2.546 100 R HA 0.329 4.702 4.340 0.054 0.000 0.320 100 R C 0.942 177.239 176.300 -0.006 0.000 1.021 100 R CA 0.058 56.153 56.100 -0.008 0.000 1.088 100 R CB 0.766 31.062 30.300 -0.007 0.000 1.278 100 R HN 0.451 nan 8.270 nan 0.000 0.557 101 G N 1.688 110.485 108.800 -0.006 0.000 2.532 101 G HA2 0.367 4.359 3.960 0.054 0.000 0.291 101 G HA3 0.367 4.359 3.960 0.054 0.000 0.291 101 G C -2.377 172.521 174.900 -0.004 0.000 1.349 101 G CA -1.020 44.077 45.100 -0.004 0.000 1.038 101 G HN -0.102 nan 8.290 nan 0.000 0.518 102 P HA 0.241 nan 4.420 nan 0.000 0.277 102 P C -0.275 177.024 177.300 -0.001 0.000 1.240 102 P CA -0.113 62.987 63.100 -0.001 0.000 0.798 102 P CB 0.884 32.586 31.700 0.002 0.000 0.979 103 T N 2.218 116.771 114.554 -0.002 0.000 2.884 103 T HA 0.282 4.664 4.350 0.054 0.000 0.298 103 T C 0.434 175.137 174.700 0.006 0.000 0.998 103 T CA -0.138 61.961 62.100 -0.002 0.000 1.124 103 T CB -0.004 68.860 68.868 -0.006 0.000 0.931 103 T HN 0.179 nan 8.240 nan 0.000 0.531 104 L N 3.643 124.872 121.223 0.009 0.000 2.325 104 L HA 0.316 4.688 4.340 0.054 0.000 0.279 104 L C 1.401 178.289 176.870 0.030 0.000 1.054 104 L CA -0.780 54.071 54.840 0.020 0.000 0.804 104 L CB 1.030 43.103 42.059 0.024 0.000 1.200 104 L HN 0.522 nan 8.230 nan 0.000 0.436 105 L N 2.463 123.707 121.223 0.035 0.000 2.187 105 L HA -0.207 4.166 4.340 0.054 0.000 0.213 105 L C 2.310 179.222 176.870 0.069 0.000 1.100 105 L CA 1.730 56.597 54.840 0.046 0.000 0.765 105 L CB -0.545 41.538 42.059 0.040 0.000 0.904 105 L HN 0.792 nan 8.230 nan 0.000 0.437 106 E N -1.655 118.590 120.200 0.075 0.000 2.516 106 E HA -0.168 4.215 4.350 0.054 0.000 0.199 106 E C 0.248 176.957 176.600 0.181 0.000 1.069 106 E CA 0.243 56.716 56.400 0.122 0.000 0.876 106 E CB -0.504 29.259 29.700 0.105 0.000 0.843 106 E HN 0.363 nan 8.360 nan 0.000 0.530 107 D N 1.218 121.677 120.400 0.098 0.000 2.441 107 D HA -0.047 4.626 4.640 0.054 0.000 0.243 107 D C 0.473 176.798 176.300 0.041 0.000 1.257 107 D CA -0.410 53.605 54.000 0.025 0.000 1.027 107 D CB -0.174 40.606 40.800 -0.033 0.000 1.084 107 D HN 0.299 nan 8.370 nan 0.000 0.514 108 F N 1.865 121.824 119.950 0.014 0.000 2.325 108 F HA 0.046 4.603 4.527 0.050 0.000 0.299 108 F C 1.667 177.480 175.800 0.021 0.000 1.090 108 F CA 0.261 58.273 58.000 0.020 0.000 1.392 108 F CB -0.672 38.339 39.000 0.018 0.000 1.053 108 F HN 0.182 nan 8.300 nan 0.000 0.521 109 I N 0.375 120.535 120.570 -0.685 0.000 2.286 109 I HA -0.194 4.008 4.170 0.054 0.000 0.245 109 I C 2.483 178.491 176.117 -0.181 0.000 1.104 109 I CA 1.003 62.029 61.300 -0.456 0.000 1.397 109 I CB -0.514 37.150 38.000 -0.560 0.000 1.072 109 I HN 0.272 nan 8.210 nan 0.000 0.417 110 L N 1.146 122.276 121.223 -0.155 0.000 1.989 110 L HA -0.215 4.157 4.340 0.054 0.000 0.211 110 L C 2.637 179.499 176.870 -0.013 0.000 1.071 110 L CA 1.925 56.721 54.840 -0.072 0.000 0.749 110 L CB -0.529 41.492 42.059 -0.062 0.000 0.890 110 L HN 0.056 nan 8.230 nan 0.000 0.431 111 R N -0.736 119.776 120.500 0.020 0.000 2.115 111 R HA -0.149 4.224 4.340 0.054 0.000 0.230 111 R C 2.291 178.648 176.300 0.095 0.000 1.111 111 R CA 1.329 57.469 56.100 0.067 0.000 0.976 111 R CB -0.313 30.042 30.300 0.090 0.000 0.870 111 R HN 0.588 nan 8.270 nan 0.000 0.445 112 E N 1.269 121.528 120.200 0.099 0.000 2.051 112 E HA -0.241 4.142 4.350 0.054 0.000 0.192 112 E C 1.907 178.585 176.600 0.131 0.000 0.991 112 E CA 1.259 57.736 56.400 0.128 0.000 0.799 112 E CB 0.109 29.888 29.700 0.132 0.000 0.748 112 E HN 0.132 nan 8.360 nan 0.000 0.449 113 K N 0.259 120.705 120.400 0.077 0.000 2.032 113 K HA -0.148 4.204 4.320 0.054 0.000 0.209 113 K C 2.117 178.794 176.600 0.127 0.000 1.048 113 K CA 1.451 57.783 56.287 0.076 0.000 0.927 113 K CB -0.038 32.463 32.500 0.002 0.000 0.712 113 K HN 0.165 nan 8.250 nan 0.000 0.441 114 I N 1.105 121.730 120.570 0.092 0.000 2.439 114 I HA -0.161 4.041 4.170 0.054 0.000 0.251 114 I C 2.072 178.304 176.117 0.191 0.000 1.139 114 I CA 1.246 62.623 61.300 0.127 0.000 1.438 114 I CB -1.337 36.697 38.000 0.057 0.000 1.085 114 I HN 0.216 nan 8.210 nan 0.000 0.427 115 T N -0.331 114.325 114.554 0.171 0.000 2.788 115 T HA -0.201 4.182 4.350 0.054 0.000 0.268 115 T C 1.948 176.785 174.700 0.228 0.000 1.044 115 T CA 1.266 63.485 62.100 0.200 0.000 1.139 115 T CB -0.365 68.627 68.868 0.208 0.000 0.867 115 T HN 0.342 nan 8.240 nan 0.000 0.454 116 H N -0.065 119.100 119.070 0.158 0.000 2.357 116 H HA -0.038 4.547 4.556 0.049 0.000 0.301 116 H C 2.175 177.559 175.328 0.094 0.000 1.082 116 H CA 1.361 57.487 56.048 0.130 0.000 1.342 116 H CB -0.412 29.407 29.762 0.097 0.000 1.389 116 H HN 0.390 nan 8.280 nan 0.000 0.511 117 F N 2.227 122.234 119.950 0.095 0.000 2.091 117 F HA -0.227 4.239 4.527 -0.100 0.000 0.299 117 F C 1.933 177.673 175.800 -0.100 0.000 1.103 117 F CA 1.915 59.919 58.000 0.007 0.000 1.228 117 F CB -0.390 38.609 39.000 -0.001 0.000 0.984 117 F HN 0.073 nan 8.300 nan 0.000 0.477 118 D N -1.205 119.101 120.400 -0.156 0.000 2.309 118 D HA -0.142 4.530 4.640 0.054 0.000 0.212 118 D C 1.092 176.959 176.300 -0.723 0.000 0.968 118 D CA 1.181 54.912 54.000 -0.449 0.000 0.882 118 D CB -0.370 40.173 40.800 -0.427 0.000 0.918 118 D HN 0.517 nan 8.370 nan 0.000 0.503 119 H N -0.672 118.267 119.070 -0.219 0.000 2.575 119 H HA 0.222 4.871 4.556 0.156 0.000 0.256 119 H C 0.910 176.068 175.328 -0.283 0.000 1.162 119 H CA -0.128 55.792 56.048 -0.213 0.000 0.969 119 H CB 0.509 30.166 29.762 -0.175 0.000 1.796 119 H HN 0.241 nan 8.280 nan 0.000 0.607 120 E N 0.651 120.675 120.200 -0.294 0.000 2.204 120 E HA -0.040 4.342 4.350 0.054 0.000 0.194 120 E C 0.487 176.929 176.600 -0.263 0.000 0.989 120 E CA 0.555 56.760 56.400 -0.325 0.000 0.824 120 E CB 0.466 29.945 29.700 -0.368 0.000 0.756 120 E HN 0.120 nan 8.360 nan 0.000 0.477 121 R N 1.197 121.602 120.500 -0.158 0.000 2.404 121 R HA 0.353 4.725 4.340 0.054 0.000 0.291 121 R C 0.381 176.714 176.300 0.055 0.000 1.025 121 R CA -0.295 55.783 56.100 -0.036 0.000 0.991 121 R CB 0.692 30.961 30.300 -0.051 0.000 1.053 121 R HN 0.167 nan 8.270 nan 0.000 0.479 122 I N -0.755 119.915 120.570 0.167 0.000 2.910 122 I HA 0.615 4.818 4.170 0.054 0.000 0.310 122 I C -2.168 174.010 176.117 0.101 0.000 1.043 122 I CA -2.893 58.491 61.300 0.141 0.000 1.053 122 I CB 1.748 39.863 38.000 0.191 0.000 1.242 122 I HN 0.243 nan 8.210 nan 0.000 0.452 123 P HA 0.101 nan 4.420 nan 0.000 0.268 123 P C -0.913 176.418 177.300 0.051 0.000 1.205 123 P CA -0.099 63.028 63.100 0.045 0.000 0.771 123 P CB 0.443 32.158 31.700 0.026 0.000 0.858 124 E N 2.458 122.690 120.200 0.054 0.000 2.369 124 E HA 0.221 4.603 4.350 0.054 0.000 0.255 124 E C -0.464 176.163 176.600 0.045 0.000 1.172 124 E CA -0.848 55.589 56.400 0.062 0.000 0.932 124 E CB 0.633 30.376 29.700 0.071 0.000 1.040 124 E HN 0.252 nan 8.360 nan 0.000 0.454 125 R N 0.545 121.078 120.500 0.056 0.000 2.590 125 R HA 0.043 4.415 4.340 0.054 0.000 0.274 125 R C 1.257 177.594 176.300 0.062 0.000 1.061 125 R CA -0.507 55.623 56.100 0.051 0.000 1.081 125 R CB 0.344 30.695 30.300 0.086 0.000 0.984 125 R HN 0.570 nan 8.270 nan 0.000 0.448 126 I N 1.875 122.476 120.570 0.051 0.000 2.286 126 I HA -0.136 4.067 4.170 0.054 0.000 0.248 126 I C 1.193 177.366 176.117 0.093 0.000 1.115 126 I CA 1.506 62.845 61.300 0.065 0.000 1.392 126 I CB -0.968 37.074 38.000 0.070 0.000 1.065 126 I HN 0.392 nan 8.210 nan 0.000 0.418 127 V N -3.597 116.407 119.914 0.149 0.000 3.130 127 V HA 0.508 4.661 4.120 0.054 0.000 0.310 127 V C 0.432 176.700 176.094 0.289 0.000 1.158 127 V CA -0.874 61.539 62.300 0.189 0.000 1.029 127 V CB 1.808 33.819 31.823 0.314 0.000 1.057 127 V HN 0.413 nan 8.190 nan 0.000 0.436 128 H N 0.107 119.244 119.070 0.113 0.000 2.861 128 H HA -0.237 4.350 4.556 0.053 0.000 0.289 128 H C 1.604 176.983 175.328 0.084 0.000 1.176 128 H CA 0.817 56.924 56.048 0.098 0.000 1.146 128 H CB -1.255 28.555 29.762 0.080 0.000 1.330 128 H HN 1.180 nan 8.280 nan 0.000 0.379 129 A N 0.806 123.720 122.820 0.156 0.000 2.024 129 A HA -0.130 4.223 4.320 0.054 0.000 0.220 129 A C 1.687 179.363 177.584 0.154 0.000 1.164 129 A CA 1.468 53.585 52.037 0.134 0.000 0.643 129 A CB -0.129 18.928 19.000 0.095 0.000 0.806 129 A HN 0.298 nan 8.150 nan 0.000 0.451 130 R N -0.087 120.505 120.500 0.153 0.000 2.207 130 R HA 0.527 4.899 4.340 0.054 0.000 0.334 130 R C -0.136 176.293 176.300 0.216 0.000 1.013 130 R CA 0.708 56.919 56.100 0.184 0.000 0.858 130 R CB 0.506 30.899 30.300 0.156 0.000 1.094 130 R HN 0.320 nan 8.270 nan 0.000 0.457 131 G N 0.789 109.742 108.800 0.256 0.000 2.646 131 G HA2 0.519 4.511 3.960 0.054 0.000 0.291 131 G HA3 0.519 4.511 3.960 0.054 0.000 0.291 131 G C -1.626 173.428 174.900 0.257 0.000 1.445 131 G CA -0.600 44.618 45.100 0.196 0.000 0.814 131 G HN 0.511 nan 8.290 nan 0.000 0.495 132 S N -1.162 114.632 115.700 0.158 0.000 2.541 132 S HA 0.889 5.392 4.470 0.054 0.000 0.280 132 S C -0.257 174.345 174.600 0.003 0.000 1.112 132 S CA -0.115 58.225 58.200 0.232 0.000 0.925 132 S CB 1.788 65.249 63.200 0.434 0.000 1.067 132 S HN 1.631 nan 8.310 nan 0.000 0.479 133 A N 1.416 124.194 122.820 -0.069 0.000 2.498 133 A HA 1.022 5.375 4.320 0.054 0.000 0.298 133 A C -0.910 176.452 177.584 -0.369 0.000 1.075 133 A CA -0.690 51.077 52.037 -0.451 0.000 0.714 133 A CB 1.622 20.203 19.000 -0.699 0.000 1.299 133 A HN 1.336 nan 8.150 nan 0.000 0.407 134 A N 0.683 123.137 122.820 -0.610 0.000 2.606 134 A HA 0.729 5.081 4.320 0.054 0.000 0.293 134 A C -1.039 176.328 177.584 -0.363 0.000 1.082 134 A CA -0.666 51.180 52.037 -0.319 0.000 0.685 134 A CB 0.751 19.664 19.000 -0.145 0.000 1.284 134 A HN 0.882 nan 8.150 nan 0.000 0.408 135 H N -0.255 118.847 119.070 0.053 0.000 2.505 135 H HA 0.634 5.222 4.556 0.053 0.000 0.351 135 H C 0.653 175.991 175.328 0.015 0.000 1.151 135 H CA 1.058 57.194 56.048 0.146 0.000 1.339 135 H CB 1.724 31.564 29.762 0.129 0.000 1.483 135 H HN 1.117 nan 8.280 nan 0.000 0.558 136 G N 0.839 109.746 108.800 0.177 0.000 2.578 136 G HA2 0.364 4.357 3.960 0.054 0.000 0.302 136 G HA3 0.364 4.357 3.960 0.054 0.000 0.302 136 G C -1.984 173.057 174.900 0.236 0.000 1.243 136 G CA -0.643 44.531 45.100 0.124 0.000 0.843 136 G HN 0.630 nan 8.290 nan 0.000 0.486 137 Y N -1.851 118.486 120.300 0.062 0.000 2.625 137 Y HA 0.846 5.428 4.550 0.054 0.000 0.338 137 Y C -1.758 174.277 175.900 0.226 0.000 1.123 137 Y CA -1.904 56.278 58.100 0.136 0.000 1.046 137 Y CB 2.032 40.543 38.460 0.086 0.000 1.299 137 Y HN 0.789 nan 8.280 nan 0.000 0.464 138 F N 1.953 122.030 119.950 0.212 0.000 2.565 138 F HA 0.668 5.227 4.527 0.054 0.000 0.313 138 F C -1.250 174.738 175.800 0.313 0.000 1.091 138 F CA -0.532 57.604 58.000 0.227 0.000 0.915 138 F CB 2.370 41.650 39.000 0.468 0.000 1.208 138 F HN 0.807 nan 8.300 nan 0.000 0.453 139 Q N 6.777 126.081 119.800 -0.826 0.000 2.345 139 Q HA 0.535 4.907 4.340 0.054 0.000 0.275 139 Q C -2.988 172.366 176.000 -1.077 0.000 1.063 139 Q CA -2.369 53.067 55.803 -0.612 0.000 0.819 139 Q CB 3.351 32.008 28.738 -0.136 0.000 1.356 139 Q HN 0.367 nan 8.270 nan 0.000 0.418 140 P HA 0.115 nan 4.420 nan 0.000 0.284 140 P C -0.515 176.645 177.300 -0.234 0.000 1.258 140 P CA -0.093 62.757 63.100 -0.418 0.000 0.824 140 P CB 0.736 32.371 31.700 -0.108 0.000 1.038 141 Y N 0.894 121.134 120.300 -0.100 0.000 2.314 141 Y HA -0.063 4.520 4.550 0.054 0.000 0.293 141 Y C 1.500 177.372 175.900 -0.045 0.000 1.129 141 Y CA 0.562 58.624 58.100 -0.063 0.000 1.201 141 Y CB 0.236 38.666 38.460 -0.050 0.000 0.999 141 Y HN 0.367 nan 8.280 nan 0.000 0.541 142 K N -1.094 119.365 120.400 0.098 0.000 2.555 142 K HA 0.382 4.735 4.320 0.054 0.000 0.279 142 K C -0.914 175.689 176.600 0.005 0.000 0.986 142 K CA -0.952 55.362 56.287 0.045 0.000 0.880 142 K CB 1.517 34.044 32.500 0.046 0.000 1.474 142 K HN -0.246 nan 8.250 nan 0.000 0.433 143 S N 0.876 116.576 115.700 -0.000 0.000 2.537 143 S HA 0.124 4.627 4.470 0.054 0.000 0.286 143 S C 0.391 174.977 174.600 -0.023 0.000 1.299 143 S CA -0.572 57.619 58.200 -0.016 0.000 1.067 143 S CB -0.214 62.981 63.200 -0.008 0.000 0.864 143 S HN 0.545 nan 8.310 nan 0.000 0.494 144 L N 4.922 126.120 121.223 -0.042 0.000 2.928 144 L HA 0.143 4.515 4.340 0.054 0.000 0.246 144 L C 1.992 178.844 176.870 -0.031 0.000 1.239 144 L CA -0.061 54.761 54.840 -0.030 0.000 1.035 144 L CB -0.230 41.812 42.059 -0.029 0.000 1.360 144 L HN 0.872 nan 8.230 nan 0.000 0.529 145 S N -1.867 113.814 115.700 -0.032 0.000 2.440 145 S HA -0.183 4.320 4.470 0.054 0.000 0.238 145 S C 1.239 175.822 174.600 -0.029 0.000 1.010 145 S CA 1.094 59.273 58.200 -0.033 0.000 0.972 145 S CB -0.130 63.055 63.200 -0.025 0.000 0.774 145 S HN 0.400 nan 8.310 nan 0.000 0.501 146 D N 1.792 122.180 120.400 -0.020 0.000 2.312 146 D HA 0.071 4.744 4.640 0.054 0.000 0.211 146 D C 1.711 177.994 176.300 -0.027 0.000 0.964 146 D CA 1.187 55.175 54.000 -0.020 0.000 0.877 146 D CB -0.103 40.691 40.800 -0.011 0.000 0.924 146 D HN 0.818 nan 8.370 nan 0.000 0.515 147 I N -4.300 116.255 120.570 -0.025 0.000 4.456 147 I HA 0.236 4.439 4.170 0.054 0.000 0.329 147 I C 0.383 176.462 176.117 -0.063 0.000 1.313 147 I CA -0.057 61.222 61.300 -0.036 0.000 1.205 147 I CB 1.222 39.222 38.000 -0.001 0.000 1.179 147 I HN -0.261 nan 8.210 nan 0.000 0.419 148 T N 1.663 116.181 114.554 -0.060 0.000 2.982 148 T HA 0.298 4.680 4.350 0.054 0.000 0.321 148 T C -0.074 174.574 174.700 -0.087 0.000 1.229 148 T CA -0.683 61.361 62.100 -0.092 0.000 1.044 148 T CB 1.794 70.599 68.868 -0.105 0.000 1.184 148 T HN 0.417 nan 8.240 nan 0.000 0.477 149 K N 2.575 122.921 120.400 -0.089 0.000 2.476 149 K HA 0.540 4.892 4.320 0.054 0.000 0.196 149 K C 0.683 177.244 176.600 -0.065 0.000 1.025 149 K CA -0.301 55.944 56.287 -0.069 0.000 1.138 149 K CB 0.141 32.606 32.500 -0.058 0.000 0.860 149 K HN 0.494 nan 8.250 nan 0.000 0.515 150 A N 2.056 124.816 122.820 -0.101 0.000 2.522 150 A HA -0.042 4.311 4.320 0.054 0.000 0.256 150 A C 0.558 178.103 177.584 -0.065 0.000 1.086 150 A CA 0.025 52.013 52.037 -0.082 0.000 0.763 150 A CB 0.080 18.968 19.000 -0.186 0.000 1.024 150 A HN 0.483 nan 8.150 nan 0.000 0.502 151 D N 2.290 122.723 120.400 0.054 0.000 2.123 151 D HA -0.256 4.417 4.640 0.054 0.000 0.196 151 D C 1.373 177.741 176.300 0.114 0.000 0.992 151 D CA 2.408 56.457 54.000 0.081 0.000 0.833 151 D CB -0.254 40.619 40.800 0.122 0.000 0.954 151 D HN 0.749 nan 8.370 nan 0.000 0.455 152 F N -0.698 119.270 119.950 0.029 0.000 2.546 152 F HA 0.128 4.688 4.527 0.055 0.000 0.298 152 F C 1.130 177.014 175.800 0.141 0.000 1.120 152 F CA 0.415 58.474 58.000 0.099 0.000 1.456 152 F CB -0.252 38.803 39.000 0.092 0.000 1.088 152 F HN -0.059 nan 8.300 nan 0.000 0.572 153 L N 0.913 121.828 121.223 -0.513 0.000 2.818 153 L HA 0.202 4.574 4.340 0.054 0.000 0.243 153 L C 1.713 178.486 176.870 -0.160 0.000 1.185 153 L CA 0.282 54.882 54.840 -0.401 0.000 0.988 153 L CB -0.095 41.618 42.059 -0.577 0.000 1.292 153 L HN 0.327 nan 8.230 nan 0.000 0.519 154 S N -2.705 112.950 115.700 -0.076 0.000 2.535 154 S HA 0.084 4.586 4.470 0.054 0.000 0.214 154 S C 0.326 174.921 174.600 -0.009 0.000 0.980 154 S CA -0.231 57.947 58.200 -0.037 0.000 0.907 154 S CB 0.241 63.433 63.200 -0.012 0.000 0.790 154 S HN 0.327 nan 8.310 nan 0.000 0.510 155 D N 0.782 121.185 120.400 0.006 0.000 2.861 155 D HA 0.288 4.961 4.640 0.054 0.000 0.216 155 D C -2.594 173.720 176.300 0.024 0.000 1.323 155 D CA -1.667 52.345 54.000 0.020 0.000 0.917 155 D CB 2.160 42.980 40.800 0.034 0.000 1.582 155 D HN -0.148 nan 8.370 nan 0.000 0.576 156 P HA -0.050 nan 4.420 nan 0.000 0.225 156 P C 0.531 177.848 177.300 0.028 0.000 1.148 156 P CA 0.510 63.621 63.100 0.019 0.000 0.779 156 P CB 0.520 32.241 31.700 0.035 0.000 0.780 157 N N -0.202 118.519 118.700 0.035 0.000 2.422 157 N HA -0.019 4.753 4.740 0.054 0.000 0.181 157 N C 0.793 176.336 175.510 0.056 0.000 1.080 157 N CA 0.423 53.497 53.050 0.040 0.000 0.893 157 N CB -0.061 38.446 38.487 0.033 0.000 0.973 157 N HN 0.270 nan 8.380 nan 0.000 0.456 158 K N 1.531 121.974 120.400 0.072 0.000 2.316 158 K HA 0.143 4.496 4.320 0.054 0.000 0.289 158 K C -0.575 176.121 176.600 0.159 0.000 1.070 158 K CA -0.400 55.955 56.287 0.113 0.000 0.928 158 K CB 0.370 32.947 32.500 0.129 0.000 1.039 158 K HN -0.041 nan 8.250 nan 0.000 0.480 159 I N 2.855 123.523 120.570 0.162 0.000 2.336 159 I HA 0.239 4.442 4.170 0.054 0.000 0.292 159 I C -0.962 175.326 176.117 0.285 0.000 0.991 159 I CA 0.334 61.765 61.300 0.218 0.000 1.227 159 I CB 1.882 39.964 38.000 0.137 0.000 1.366 159 I HN 0.415 nan 8.210 nan 0.000 0.466 160 T N 8.797 123.608 114.554 0.428 0.000 2.786 160 T HA 0.508 4.890 4.350 0.054 0.000 0.283 160 T C -2.596 172.366 174.700 0.437 0.000 0.992 160 T CA -1.056 61.316 62.100 0.453 0.000 0.954 160 T CB 1.396 70.641 68.868 0.628 0.000 0.934 160 T HN 0.427 nan 8.240 nan 0.000 0.440 161 P HA 0.287 nan 4.420 nan 0.000 0.271 161 P C -0.704 176.841 177.300 0.408 0.000 1.218 161 P CA -0.451 62.847 63.100 0.329 0.000 0.780 161 P CB 0.586 32.408 31.700 0.204 0.000 0.901 162 V N -0.185 119.911 119.914 0.304 0.000 3.040 162 V HA 0.741 4.894 4.120 0.054 0.000 0.312 162 V C -1.329 174.928 176.094 0.272 0.000 1.115 162 V CA -0.969 61.414 62.300 0.138 0.000 0.998 162 V CB 2.205 33.892 31.823 -0.226 0.000 1.042 162 V HN 0.337 nan 8.190 nan 0.000 0.433 163 F N 2.027 121.962 119.950 -0.026 0.000 2.539 163 F HA 0.843 5.402 4.527 0.053 0.000 0.318 163 F C -0.950 174.753 175.800 -0.162 0.000 1.135 163 F CA -0.682 57.244 58.000 -0.123 0.000 0.915 163 F CB 2.022 40.982 39.000 -0.066 0.000 1.176 163 F HN 0.529 nan 8.300 nan 0.000 0.440 164 V N 6.671 126.130 119.914 -0.758 0.000 2.540 164 V HA 0.575 4.728 4.120 0.054 0.000 0.302 164 V C -0.716 174.711 176.094 -1.112 0.000 1.035 164 V CA -0.801 60.977 62.300 -0.868 0.000 0.873 164 V CB 1.963 33.206 31.823 -0.966 0.000 0.992 164 V HN 0.752 nan 8.190 nan 0.000 0.428 165 R N 3.576 123.416 120.500 -1.100 0.000 2.480 165 R HA 0.643 5.015 4.340 0.054 0.000 0.306 165 R C -1.579 174.106 176.300 -1.025 0.000 0.958 165 R CA -0.432 55.120 56.100 -0.913 0.000 0.861 165 R CB 1.267 31.202 30.300 -0.607 0.000 1.171 165 R HN 0.550 nan 8.270 nan 0.000 0.445 166 F N 1.650 121.178 119.950 -0.702 0.000 2.440 166 F HA 0.541 5.100 4.527 0.053 0.000 0.328 166 F C 0.467 175.919 175.800 -0.581 0.000 1.070 166 F CA -0.273 57.197 58.000 -0.883 0.000 1.011 166 F CB 2.142 40.088 39.000 -1.757 0.000 1.226 166 F HN 0.597 nan 8.300 nan 0.000 0.491 167 S N -1.176 114.447 115.700 -0.129 0.000 2.588 167 S HA 0.613 5.115 4.470 0.054 0.000 0.269 167 S C -0.631 174.113 174.600 0.239 0.000 1.157 167 S CA -0.910 57.364 58.200 0.124 0.000 0.824 167 S CB 1.313 64.634 63.200 0.202 0.000 1.126 167 S HN 0.736 nan 8.310 nan 0.000 0.464 168 T N -1.337 113.355 114.554 0.230 0.000 2.891 168 T HA 0.690 5.072 4.350 0.054 0.000 0.294 168 T C 0.827 175.502 174.700 -0.041 0.000 1.065 168 T CA -0.095 62.100 62.100 0.159 0.000 0.936 168 T CB 0.283 69.247 68.868 0.159 0.000 1.415 168 T HN 0.645 nan 8.240 nan 0.000 0.572 169 V N -0.143 119.700 119.914 -0.119 0.000 2.948 169 V HA 0.123 4.275 4.120 0.054 0.000 0.234 169 V C 2.715 178.735 176.094 -0.125 0.000 1.205 169 V CA 0.319 62.417 62.300 -0.336 0.000 1.234 169 V CB -0.249 31.451 31.823 -0.205 0.000 1.020 169 V HN 0.855 nan 8.190 nan 0.000 0.491 170 Q N 1.146 120.912 119.800 -0.057 0.000 2.062 170 Q HA 0.073 4.445 4.340 0.054 0.000 0.196 170 Q C 1.276 177.255 176.000 -0.035 0.000 0.967 170 Q CA 1.423 57.191 55.803 -0.058 0.000 0.832 170 Q CB -0.176 28.514 28.738 -0.080 0.000 0.899 170 Q HN 0.581 nan 8.270 nan 0.000 0.442 171 G N -0.218 108.576 108.800 -0.011 0.000 2.599 171 G HA2 0.412 4.405 3.960 0.054 0.000 0.264 171 G HA3 0.412 4.405 3.960 0.054 0.000 0.264 171 G C 0.072 174.981 174.900 0.015 0.000 1.200 171 G CA 0.036 45.133 45.100 -0.005 0.000 0.896 171 G HN 0.335 nan 8.290 nan 0.000 0.536 172 G N -1.320 107.484 108.800 0.008 0.000 2.651 172 G HA2 0.474 4.467 3.960 0.054 0.000 0.260 172 G HA3 0.474 4.467 3.960 0.054 0.000 0.260 172 G C 1.336 176.268 174.900 0.052 0.000 1.216 172 G CA 0.453 45.568 45.100 0.025 0.000 0.913 172 G HN 1.083 nan 8.290 nan 0.000 0.535 173 A N -0.491 122.371 122.820 0.070 0.000 2.076 173 A HA 0.087 4.440 4.320 0.054 0.000 0.220 173 A C 2.203 179.829 177.584 0.069 0.000 1.160 173 A CA 2.040 54.138 52.037 0.102 0.000 0.653 173 A CB -0.366 18.711 19.000 0.129 0.000 0.801 173 A HN 1.150 nan 8.150 nan 0.000 0.455 174 G N -0.372 108.449 108.800 0.034 0.000 3.337 174 G HA2 0.344 4.336 3.960 0.054 0.000 0.246 174 G HA3 0.344 4.336 3.960 0.054 0.000 0.246 174 G C 0.668 175.570 174.900 0.004 0.000 1.131 174 G CA 0.672 45.776 45.100 0.008 0.000 0.773 174 G HN 0.668 nan 8.290 nan 0.000 0.544 175 S N -0.219 115.492 115.700 0.019 0.000 2.661 175 S HA 0.759 5.261 4.470 0.054 0.000 0.265 175 S C 0.414 175.029 174.600 0.025 0.000 1.225 175 S CA -0.074 58.134 58.200 0.012 0.000 0.986 175 S CB 1.637 64.845 63.200 0.013 0.000 1.008 175 S HN 0.552 nan 8.310 nan 0.000 0.565 176 A N 0.105 122.935 122.820 0.016 0.000 2.302 176 A HA 0.471 4.823 4.320 0.054 0.000 0.285 176 A C 0.566 178.171 177.584 0.035 0.000 1.105 176 A CA -0.632 51.410 52.037 0.010 0.000 0.816 176 A CB 0.032 19.020 19.000 -0.020 0.000 1.067 176 A HN 0.862 nan 8.150 nan 0.000 0.489 177 D N 0.486 120.896 120.400 0.016 0.000 2.120 177 D HA -0.067 4.606 4.640 0.054 0.000 0.202 177 D C 1.577 177.845 176.300 -0.054 0.000 0.972 177 D CA 2.284 56.303 54.000 0.033 0.000 0.837 177 D CB -0.238 40.540 40.800 -0.037 0.000 0.989 177 D HN 0.673 nan 8.370 nan 0.000 0.469 178 T N -0.096 114.349 114.554 -0.182 0.000 3.332 178 T HA 0.287 4.670 4.350 0.054 0.000 0.246 178 T C 0.854 175.532 174.700 -0.037 0.000 0.943 178 T CA -0.570 61.414 62.100 -0.193 0.000 0.922 178 T CB -0.906 67.770 68.868 -0.320 0.000 1.086 178 T HN -0.065 nan 8.240 nan 0.000 0.590 179 V N -1.110 118.833 119.914 0.048 0.000 3.237 179 V HA 0.386 4.539 4.120 0.054 0.000 0.305 179 V C 0.710 176.945 176.094 0.235 0.000 1.096 179 V CA -1.319 61.065 62.300 0.140 0.000 1.130 179 V CB 0.323 32.219 31.823 0.122 0.000 1.048 179 V HN 0.580 nan 8.190 nan 0.000 0.484 180 R N 1.837 122.543 120.500 0.343 0.000 2.248 180 R HA 0.461 4.833 4.340 0.054 0.000 0.328 180 R C -0.877 175.507 176.300 0.139 0.000 1.067 180 R CA -0.061 56.185 56.100 0.244 0.000 0.924 180 R CB 0.187 30.561 30.300 0.123 0.000 1.013 180 R HN 1.073 nan 8.270 nan 0.000 0.454 181 D N 3.252 123.745 120.400 0.154 0.000 2.725 181 D HA 0.183 4.855 4.640 0.054 0.000 0.292 181 D C -0.637 175.779 176.300 0.193 0.000 1.288 181 D CA -0.615 53.466 54.000 0.134 0.000 0.784 181 D CB 1.147 42.017 40.800 0.117 0.000 1.308 181 D HN 0.220 nan 8.370 nan 0.000 0.429 182 I N 1.160 121.863 120.570 0.222 0.000 2.882 182 I HA 0.272 4.474 4.170 0.054 0.000 0.286 182 I C 0.787 177.046 176.117 0.237 0.000 1.139 182 I CA -0.094 61.351 61.300 0.240 0.000 1.379 182 I CB 0.103 38.279 38.000 0.293 0.000 1.410 182 I HN 0.254 nan 8.210 nan 0.000 0.594 183 R N 2.421 123.082 120.500 0.268 0.000 2.562 183 R HA 0.557 4.930 4.340 0.054 0.000 0.298 183 R C -0.068 176.422 176.300 0.317 0.000 0.961 183 R CA -0.755 55.519 56.100 0.291 0.000 0.881 183 R CB 1.459 31.950 30.300 0.318 0.000 1.159 183 R HN 0.812 nan 8.270 nan 0.000 0.450 184 G N 0.942 109.949 108.800 0.345 0.000 2.476 184 G HA2 0.481 4.474 3.960 0.054 0.000 0.286 184 G HA3 0.481 4.474 3.960 0.054 0.000 0.286 184 G C -1.262 173.726 174.900 0.147 0.000 1.177 184 G CA -0.043 45.233 45.100 0.292 0.000 0.870 184 G HN 0.356 nan 8.290 nan 0.000 0.528 185 F N 1.468 121.326 119.950 -0.152 0.000 3.034 185 F HA 0.627 5.186 4.527 0.054 0.000 0.371 185 F C -0.298 175.216 175.800 -0.476 0.000 1.233 185 F CA -1.813 55.992 58.000 -0.324 0.000 1.134 185 F CB 1.039 39.964 39.000 -0.125 0.000 1.495 185 F HN 0.670 nan 8.300 nan 0.000 0.563 186 A N 3.487 126.052 122.820 -0.425 0.000 2.303 186 A HA 0.778 5.131 4.320 0.054 0.000 0.320 186 A C -0.638 176.497 177.584 -0.749 0.000 1.192 186 A CA -0.451 51.173 52.037 -0.689 0.000 0.821 186 A CB 0.844 19.112 19.000 -1.220 0.000 1.188 186 A HN 0.532 nan 8.150 nan 0.000 0.492 187 T N 2.311 116.587 114.554 -0.463 0.000 2.809 187 T HA 0.395 4.778 4.350 0.054 0.000 0.284 187 T C -0.304 174.190 174.700 -0.344 0.000 0.992 187 T CA -0.459 61.366 62.100 -0.458 0.000 0.957 187 T CB 1.073 69.594 68.868 -0.577 0.000 0.942 187 T HN 0.637 nan 8.240 nan 0.000 0.439 188 K N 3.485 123.769 120.400 -0.194 0.000 2.263 188 K HA 0.447 4.799 4.320 0.054 0.000 0.272 188 K C -1.293 174.965 176.600 -0.570 0.000 1.033 188 K CA -0.579 55.505 56.287 -0.338 0.000 0.884 188 K CB 0.318 32.579 32.500 -0.399 0.000 1.107 188 K HN 0.388 nan 8.250 nan 0.000 0.460 189 F N 4.328 123.977 119.950 -0.501 0.000 2.391 189 F HA 0.241 4.800 4.527 0.054 0.000 0.359 189 F C -0.446 175.140 175.800 -0.357 0.000 1.122 189 F CA -0.596 57.178 58.000 -0.376 0.000 1.120 189 F CB 0.721 39.412 39.000 -0.515 0.000 1.142 189 F HN 0.446 nan 8.300 nan 0.000 0.483 190 Y N 1.884 122.241 120.300 0.095 0.000 2.632 190 Y HA 0.210 4.792 4.550 0.053 0.000 0.336 190 Y C 1.057 177.016 175.900 0.098 0.000 1.237 190 Y CA -0.842 57.296 58.100 0.063 0.000 1.595 190 Y CB -0.211 38.277 38.460 0.047 0.000 1.508 190 Y HN 0.548 nan 8.280 nan 0.000 0.480 191 T N -2.344 112.305 114.554 0.159 0.000 2.816 191 T HA 0.160 4.542 4.350 0.054 0.000 0.282 191 T C 0.985 175.782 174.700 0.161 0.000 0.993 191 T CA -0.669 61.531 62.100 0.167 0.000 0.994 191 T CB 1.059 69.996 68.868 0.115 0.000 1.025 191 T HN 0.648 nan 8.240 nan 0.000 0.529 192 E N -0.017 120.282 120.200 0.165 0.000 2.482 192 E HA -0.019 4.363 4.350 0.054 0.000 0.196 192 E C 0.953 177.624 176.600 0.119 0.000 1.047 192 E CA 0.595 57.076 56.400 0.135 0.000 0.869 192 E CB 0.141 29.916 29.700 0.126 0.000 0.836 192 E HN 0.731 nan 8.360 nan 0.000 0.520 193 E N 0.137 120.409 120.200 0.119 0.000 2.651 193 E HA 0.265 4.647 4.350 0.054 0.000 0.208 193 E C 0.100 176.750 176.600 0.085 0.000 0.997 193 E CA -0.262 56.200 56.400 0.102 0.000 1.020 193 E CB 1.330 31.092 29.700 0.103 0.000 1.052 193 E HN 0.179 nan 8.360 nan 0.000 0.465 194 G N 1.108 109.953 108.800 0.075 0.000 2.392 194 G HA2 -0.113 3.880 3.960 0.054 0.000 0.677 194 G HA3 -0.113 3.880 3.960 0.054 0.000 0.677 194 G C -0.913 173.992 174.900 0.008 0.000 1.334 194 G CA -1.136 43.982 45.100 0.030 0.000 0.961 194 G HN 0.024 nan 8.290 nan 0.000 0.616 195 I N 0.653 121.186 120.570 -0.060 0.000 2.556 195 I HA 0.357 4.559 4.170 0.054 0.000 0.284 195 I C 0.116 176.237 176.117 0.006 0.000 1.114 195 I CA 0.100 61.338 61.300 -0.103 0.000 1.418 195 I CB 0.661 38.523 38.000 -0.231 0.000 1.394 195 I HN 0.474 nan 8.210 nan 0.000 0.552 196 F N 6.844 126.684 119.950 -0.184 0.000 2.427 196 F HA 0.442 5.001 4.527 0.055 0.000 0.348 196 F C -0.575 175.185 175.800 -0.066 0.000 1.125 196 F CA -1.215 56.677 58.000 -0.180 0.000 0.989 196 F CB 0.703 39.438 39.000 -0.443 0.000 1.165 196 F HN 0.341 nan 8.300 nan 0.000 0.442 197 D N 6.838 127.049 120.400 -0.316 0.000 2.280 197 D HA 0.238 4.910 4.640 0.054 0.000 0.236 197 D C -0.588 175.232 176.300 -0.800 0.000 1.082 197 D CA 0.013 53.753 54.000 -0.434 0.000 0.834 197 D CB 2.336 43.086 40.800 -0.082 0.000 1.100 197 D HN 0.652 nan 8.370 nan 0.000 0.486 198 L N 3.223 123.929 121.223 -0.861 0.000 2.272 198 L HA 0.285 4.658 4.340 0.054 0.000 0.284 198 L C -1.019 175.621 176.870 -0.383 0.000 1.045 198 L CA -0.587 53.836 54.840 -0.694 0.000 0.842 198 L CB 0.589 42.235 42.059 -0.687 0.000 1.224 198 L HN 0.048 nan 8.230 nan 0.000 0.430 199 V N 5.578 125.308 119.914 -0.307 0.000 2.259 199 V HA 0.493 4.646 4.120 0.054 0.000 0.267 199 V C 0.801 176.798 176.094 -0.161 0.000 1.051 199 V CA -0.332 61.803 62.300 -0.275 0.000 0.830 199 V CB 0.597 32.211 31.823 -0.348 0.000 1.080 199 V HN 0.826 nan 8.190 nan 0.000 0.467 200 G N 3.164 111.885 108.800 -0.131 0.000 2.667 200 G HA2 0.676 4.669 3.960 0.054 0.000 0.310 200 G HA3 0.676 4.669 3.960 0.054 0.000 0.310 200 G C -0.838 174.092 174.900 0.049 0.000 1.259 200 G CA -0.565 44.515 45.100 -0.033 0.000 1.019 200 G HN 0.487 nan 8.290 nan 0.000 0.496 201 N N -1.181 117.597 118.700 0.130 0.000 2.761 201 N HA 0.250 5.023 4.740 0.054 0.000 0.283 201 N C 0.316 176.009 175.510 0.305 0.000 1.377 201 N CA -0.756 52.427 53.050 0.222 0.000 0.791 201 N CB 1.366 39.970 38.487 0.195 0.000 1.540 201 N HN 0.519 nan 8.380 nan 0.000 0.539 202 N N -1.316 117.582 118.700 0.330 0.000 2.268 202 N HA 0.008 4.780 4.740 0.054 0.000 0.204 202 N C -0.492 175.282 175.510 0.440 0.000 1.124 202 N CA -0.093 53.206 53.050 0.415 0.000 0.838 202 N CB -0.121 38.582 38.487 0.360 0.000 0.994 202 N HN 0.552 nan 8.380 nan 0.000 0.489 203 T N -3.679 110.955 114.554 0.134 0.000 2.906 203 T HA 0.472 4.854 4.350 0.054 0.000 0.295 203 T C -2.657 171.442 174.700 -1.002 0.000 1.075 203 T CA -1.577 60.151 62.100 -0.619 0.000 1.005 203 T CB 2.910 71.286 68.868 -0.821 0.000 1.136 203 T HN -0.233 nan 8.240 nan 0.000 0.498 204 P HA 0.233 nan 4.420 nan 0.000 0.255 204 P C 0.290 177.084 177.300 -0.844 0.000 1.248 204 P CA 0.012 62.250 63.100 -1.436 0.000 0.807 204 P CB -0.105 30.700 31.700 -1.490 0.000 1.150 205 I N -4.589 115.464 120.570 -0.861 0.000 3.354 205 I HA 0.554 4.757 4.170 0.054 0.000 0.316 205 I C -1.514 174.329 176.117 -0.458 0.000 1.182 205 I CA -1.872 59.063 61.300 -0.609 0.000 0.942 205 I CB 1.456 39.042 38.000 -0.690 0.000 1.299 205 I HN -0.229 nan 8.210 nan 0.000 0.473 206 F N 0.122 119.778 119.950 -0.489 0.000 2.639 206 F HA 0.531 5.091 4.527 0.054 0.000 0.339 206 F C 0.215 175.738 175.800 -0.461 0.000 1.071 206 F CA -0.743 56.992 58.000 -0.442 0.000 0.994 206 F CB 1.986 40.868 39.000 -0.196 0.000 1.341 206 F HN 0.366 nan 8.300 nan 0.000 0.498 207 F N 2.048 121.135 119.950 -1.439 0.000 2.259 207 F HA 0.075 4.634 4.527 0.054 0.000 0.298 207 F C 0.680 176.168 175.800 -0.520 0.000 1.088 207 F CA 0.780 58.181 58.000 -0.999 0.000 1.358 207 F CB -0.081 37.911 39.000 -1.680 0.000 1.040 207 F HN 0.138 nan 8.300 nan 0.000 0.505 208 I N -3.223 117.304 120.570 -0.073 0.000 3.002 208 I HA 0.378 4.580 4.170 0.054 0.000 0.310 208 I C 0.437 176.707 176.117 0.254 0.000 1.087 208 I CA -0.832 60.563 61.300 0.159 0.000 1.017 208 I CB 1.843 40.008 38.000 0.276 0.000 1.226 208 I HN -0.161 nan 8.210 nan 0.000 0.443 209 Q N 0.282 120.229 119.800 0.245 0.000 2.297 209 Q HA 0.132 4.504 4.340 0.054 0.000 0.203 209 Q C -0.325 175.854 176.000 0.299 0.000 0.931 209 Q CA 0.663 56.649 55.803 0.305 0.000 0.885 209 Q CB 0.464 29.445 28.738 0.405 0.000 0.991 209 Q HN 0.642 nan 8.270 nan 0.000 0.498 210 D N -1.153 119.396 120.400 0.249 0.000 2.649 210 D HA 0.294 4.966 4.640 0.054 0.000 0.249 210 D C 0.002 176.434 176.300 0.220 0.000 1.112 210 D CA -0.230 53.887 54.000 0.195 0.000 0.850 210 D CB 1.815 42.704 40.800 0.149 0.000 1.399 210 D HN 0.041 nan 8.370 nan 0.000 0.503 211 A N 3.326 126.247 122.820 0.167 0.000 2.084 211 A HA -0.247 4.105 4.320 0.054 0.000 0.221 211 A C 1.753 179.461 177.584 0.206 0.000 1.161 211 A CA 1.696 53.826 52.037 0.155 0.000 0.653 211 A CB -0.751 18.285 19.000 0.061 0.000 0.802 211 A HN 0.800 nan 8.150 nan 0.000 0.457 212 H N -0.051 119.084 119.070 0.108 0.000 2.489 212 H HA 0.032 4.620 4.556 0.054 0.000 0.293 212 H C 1.528 176.939 175.328 0.138 0.000 1.066 212 H CA 1.707 57.812 56.048 0.095 0.000 1.305 212 H CB 0.043 29.835 29.762 0.050 0.000 1.386 212 H HN 0.424 nan 8.280 nan 0.000 0.551 213 K N -0.566 119.959 120.400 0.208 0.000 2.444 213 K HA -0.034 4.318 4.320 0.054 0.000 0.193 213 K C 1.252 177.989 176.600 0.229 0.000 1.024 213 K CA -0.026 56.381 56.287 0.201 0.000 1.077 213 K CB 0.075 32.753 32.500 0.296 0.000 0.833 213 K HN 0.284 nan 8.250 nan 0.000 0.517 214 F N 2.977 122.981 119.950 0.090 0.000 2.095 214 F HA -0.134 4.425 4.527 0.053 0.000 0.298 214 F C -1.038 174.778 175.800 0.027 0.000 1.104 214 F CA 1.306 59.388 58.000 0.138 0.000 1.232 214 F CB -0.414 38.650 39.000 0.105 0.000 0.987 214 F HN 0.013 nan 8.300 nan 0.000 0.475 215 P HA -0.127 nan 4.420 nan 0.000 0.218 215 P C 1.025 178.003 177.300 -0.537 0.000 1.149 215 P CA 1.656 64.512 63.100 -0.406 0.000 0.817 215 P CB -0.076 31.400 31.700 -0.374 0.000 0.785 216 D N -1.028 119.202 120.400 -0.284 0.000 2.084 216 D HA -0.180 4.492 4.640 0.054 0.000 0.194 216 D C 1.824 177.824 176.300 -0.500 0.000 0.990 216 D CA 1.127 54.990 54.000 -0.228 0.000 0.826 216 D CB -0.923 39.921 40.800 0.072 0.000 0.971 216 D HN 0.162 nan 8.370 nan 0.000 0.453 217 F N 1.757 121.281 119.950 -0.711 0.000 2.095 217 F HA -0.231 4.329 4.527 0.054 0.000 0.298 217 F C 2.291 177.706 175.800 -0.641 0.000 1.104 217 F CA 1.171 58.561 58.000 -1.016 0.000 1.232 217 F CB -0.134 38.526 39.000 -0.567 0.000 0.987 217 F HN -0.243 nan 8.300 nan 0.000 0.475 218 V N 0.065 119.545 119.914 -0.724 0.000 2.358 218 V HA -0.314 3.839 4.120 0.054 0.000 0.246 218 V C 2.259 178.123 176.094 -0.382 0.000 1.047 218 V CA 2.361 64.282 62.300 -0.632 0.000 1.035 218 V CB -0.985 30.489 31.823 -0.581 0.000 0.658 218 V HN 0.460 nan 8.190 nan 0.000 0.452 219 H N -0.275 118.561 119.070 -0.391 0.000 2.387 219 H HA -0.139 4.449 4.556 0.054 0.000 0.299 219 H C 2.334 177.510 175.328 -0.253 0.000 1.090 219 H CA 1.060 56.961 56.048 -0.246 0.000 1.332 219 H CB 0.054 29.721 29.762 -0.160 0.000 1.386 219 H HN 0.482 nan 8.280 nan 0.000 0.516 220 A N 0.387 123.036 122.820 -0.285 0.000 1.933 220 A HA -0.128 4.224 4.320 0.054 0.000 0.218 220 A C 2.508 179.933 177.584 -0.264 0.000 1.175 220 A CA 1.502 53.361 52.037 -0.298 0.000 0.628 220 A CB -0.732 17.967 19.000 -0.502 0.000 0.814 220 A HN 0.308 nan 8.150 nan 0.000 0.444 221 V N -0.287 119.351 119.914 -0.459 0.000 2.649 221 V HA 0.002 4.155 4.120 0.054 0.000 0.248 221 V C 0.928 176.989 176.094 -0.056 0.000 1.054 221 V CA 0.798 62.905 62.300 -0.322 0.000 1.073 221 V CB -0.450 30.991 31.823 -0.636 0.000 0.699 221 V HN 0.340 nan 8.190 nan 0.000 0.463 222 K N 0.967 121.298 120.400 -0.114 0.000 2.187 222 K HA 0.212 4.564 4.320 0.054 0.000 0.247 222 K C -2.287 174.276 176.600 -0.060 0.000 1.019 222 K CA -1.604 54.636 56.287 -0.080 0.000 0.893 222 K CB -0.354 32.090 32.500 -0.093 0.000 1.025 222 K HN 0.163 nan 8.250 nan 0.000 0.500 223 P HA -0.032 nan 4.420 nan 0.000 0.264 223 P C -0.552 176.698 177.300 -0.084 0.000 1.183 223 P CA 0.468 63.447 63.100 -0.201 0.000 0.763 223 P CB 0.351 31.936 31.700 -0.192 0.000 0.807 224 E N 5.421 125.618 120.200 -0.005 0.000 2.383 224 E HA 0.015 4.398 4.350 0.054 0.000 0.264 224 E C -1.308 175.375 176.600 0.138 0.000 1.050 224 E CA -1.369 55.128 56.400 0.163 0.000 0.896 224 E CB 0.168 30.090 29.700 0.369 0.000 0.982 224 E HN 0.427 nan 8.360 nan 0.000 0.424 225 P HA -0.176 nan 4.420 nan 0.000 0.225 225 P C 0.962 178.338 177.300 0.127 0.000 1.156 225 P CA 1.219 64.362 63.100 0.072 0.000 0.787 225 P CB 0.076 31.794 31.700 0.030 0.000 0.802 226 H N -0.332 118.778 119.070 0.066 0.000 2.299 226 H HA -0.097 4.492 4.556 0.055 0.000 0.302 226 H C 1.466 176.900 175.328 0.176 0.000 1.078 226 H CA 1.546 57.626 56.048 0.053 0.000 1.323 226 H CB -1.434 28.287 29.762 -0.068 0.000 1.381 226 H HN 0.296 nan 8.280 nan 0.000 0.498 227 W N -0.055 120.880 121.300 -0.608 0.000 2.870 227 W HA 0.699 5.391 4.660 0.054 0.000 0.358 227 W C 0.528 176.881 176.519 -0.277 0.000 1.043 227 W CA -1.036 56.076 57.345 -0.388 0.000 1.692 227 W CB -0.768 28.431 29.460 -0.434 0.000 1.100 227 W HN 0.471 nan 8.180 nan 0.000 0.557 228 A N 1.197 123.992 122.820 -0.042 0.000 2.739 228 A HA -0.162 4.190 4.320 0.054 0.000 0.296 228 A C -0.370 176.984 177.584 -0.383 0.000 1.488 228 A CA 1.430 53.367 52.037 -0.166 0.000 0.746 228 A CB -2.416 16.510 19.000 -0.122 0.000 1.047 228 A HN 0.460 nan 8.150 nan 0.000 0.477 229 I N 0.410 120.605 120.570 -0.625 0.000 2.730 229 I HA 0.578 4.780 4.170 0.054 0.000 0.298 229 I C -2.401 173.413 176.117 -0.504 0.000 1.089 229 I CA -2.473 58.371 61.300 -0.761 0.000 1.041 229 I CB 2.903 39.965 38.000 -1.564 0.000 1.235 229 I HN 0.212 nan 8.210 nan 0.000 0.423 230 P HA 0.315 nan 4.420 nan 0.000 0.289 230 P C -1.646 175.488 177.300 -0.276 0.000 1.293 230 P CA -0.853 62.026 63.100 -0.368 0.000 0.897 230 P CB 1.699 33.252 31.700 -0.245 0.000 1.166 231 Q N 0.585 120.270 119.800 -0.193 0.000 2.267 231 Q HA 0.498 4.871 4.340 0.054 0.000 0.255 231 Q C 1.021 176.980 176.000 -0.068 0.000 0.923 231 Q CA 0.900 56.628 55.803 -0.126 0.000 0.925 231 Q CB -0.231 28.443 28.738 -0.107 0.000 1.195 231 Q HN 0.819 nan 8.270 nan 0.000 0.417 232 G N 3.256 112.026 108.800 -0.049 0.000 2.198 232 G HA2 -0.281 3.711 3.960 0.054 0.000 0.260 232 G HA3 -0.281 3.711 3.960 0.054 0.000 0.260 232 G C -0.435 174.478 174.900 0.021 0.000 1.025 232 G CA 0.522 45.619 45.100 -0.005 0.000 0.769 232 G HN 0.543 nan 8.290 nan 0.000 0.507 233 Q N -1.123 118.674 119.800 -0.006 0.000 2.309 233 Q HA 0.555 4.927 4.340 0.054 0.000 0.273 233 Q C 0.666 176.672 176.000 0.010 0.000 1.040 233 Q CA -0.154 55.673 55.803 0.040 0.000 0.834 233 Q CB 1.795 30.598 28.738 0.108 0.000 1.345 233 Q HN 0.480 nan 8.270 nan 0.000 0.414 234 S N -0.636 114.979 115.700 -0.142 0.000 2.556 234 S HA 0.238 4.741 4.470 0.054 0.000 0.216 234 S C 0.814 175.363 174.600 -0.085 0.000 0.970 234 S CA -0.020 57.869 58.200 -0.518 0.000 0.912 234 S CB 0.376 62.678 63.200 -1.498 0.000 0.790 234 S HN 0.588 nan 8.310 nan 0.000 0.504 235 A N 2.288 125.254 122.820 0.243 0.000 3.091 235 A HA 0.553 4.905 4.320 0.054 0.000 0.264 235 A C 0.073 177.905 177.584 0.413 0.000 1.673 235 A CA -0.616 51.645 52.037 0.374 0.000 1.362 235 A CB -1.164 17.992 19.000 0.260 0.000 1.137 235 A HN 0.898 nan 8.150 nan 0.000 0.617 236 H N -3.537 115.726 119.070 0.322 0.000 3.014 236 H HA 0.504 5.093 4.556 0.055 0.000 0.337 236 H C -0.321 175.203 175.328 0.326 0.000 1.320 236 H CA -0.751 55.455 56.048 0.262 0.000 1.128 236 H CB 0.342 30.215 29.762 0.186 0.000 1.862 236 H HN 0.062 nan 8.280 nan 0.000 0.536 237 D N 0.198 120.775 120.400 0.295 0.000 2.123 237 D HA -0.183 4.489 4.640 0.054 0.000 0.196 237 D C 2.057 178.418 176.300 0.101 0.000 0.992 237 D CA 2.959 57.066 54.000 0.178 0.000 0.833 237 D CB -0.280 40.599 40.800 0.132 0.000 0.954 237 D HN 0.775 nan 8.370 nan 0.000 0.455 238 T N -1.830 112.768 114.554 0.073 0.000 2.904 238 T HA -0.143 4.239 4.350 0.054 0.000 0.267 238 T C 1.878 176.509 174.700 -0.115 0.000 1.059 238 T CA 0.430 62.544 62.100 0.024 0.000 1.137 238 T CB -0.616 68.311 68.868 0.098 0.000 0.879 238 T HN 0.154 nan 8.240 nan 0.000 0.467 239 F N 0.767 120.390 119.950 -0.546 0.000 2.113 239 F HA 0.111 4.670 4.527 0.054 0.000 0.297 239 F C 1.804 177.337 175.800 -0.444 0.000 1.103 239 F CA 0.641 58.256 58.000 -0.641 0.000 1.248 239 F CB -0.522 37.909 39.000 -0.949 0.000 0.999 239 F HN 0.128 nan 8.300 nan 0.000 0.475 240 W N 0.675 121.918 121.300 -0.095 0.000 2.467 240 W HA -0.087 4.606 4.660 0.054 0.000 0.275 240 W C 2.274 178.718 176.519 -0.126 0.000 1.239 240 W CA 1.015 58.288 57.345 -0.119 0.000 1.266 240 W CB -0.612 28.866 29.460 0.030 0.000 1.112 240 W HN 0.083 nan 8.180 nan 0.000 0.576 241 D N -0.507 119.936 120.400 0.071 0.000 2.092 241 D HA -0.305 4.367 4.640 0.054 0.000 0.193 241 D C 1.892 178.195 176.300 0.005 0.000 0.994 241 D CA 1.569 55.596 54.000 0.046 0.000 0.828 241 D CB -0.569 40.266 40.800 0.058 0.000 0.963 241 D HN 0.188 nan 8.370 nan 0.000 0.450 242 Y N 0.397 120.591 120.300 -0.177 0.000 2.128 242 Y HA -0.211 4.371 4.550 0.055 0.000 0.284 242 Y C 2.284 178.055 175.900 -0.215 0.000 1.154 242 Y CA 1.575 59.559 58.100 -0.194 0.000 1.149 242 Y CB -0.458 37.848 38.460 -0.257 0.000 0.976 242 Y HN -0.096 nan 8.280 nan 0.000 0.505 243 V N 0.097 119.894 119.914 -0.195 0.000 2.332 243 V HA -0.341 3.811 4.120 0.054 0.000 0.248 243 V C 2.602 178.644 176.094 -0.086 0.000 1.055 243 V CA 2.249 64.430 62.300 -0.198 0.000 1.038 243 V CB -1.205 30.419 31.823 -0.331 0.000 0.651 243 V HN 0.670 nan 8.190 nan 0.000 0.450 244 S N -0.365 115.329 115.700 -0.011 0.000 2.442 244 S HA -0.060 4.442 4.470 0.054 0.000 0.236 244 S C 1.699 176.271 174.600 -0.047 0.000 1.007 244 S CA 1.345 59.560 58.200 0.025 0.000 0.965 244 S CB -0.426 62.817 63.200 0.073 0.000 0.773 244 S HN 0.560 nan 8.310 nan 0.000 0.504 245 L N -0.083 121.061 121.223 -0.131 0.000 2.585 245 L HA 0.329 4.701 4.340 0.054 0.000 0.226 245 L C 0.458 177.159 176.870 -0.281 0.000 1.113 245 L CA 0.119 54.857 54.840 -0.171 0.000 0.876 245 L CB 0.078 42.038 42.059 -0.165 0.000 1.072 245 L HN 0.249 nan 8.230 nan 0.000 0.468 246 Q N 0.298 119.891 119.800 -0.346 0.000 3.090 246 Q HA 0.240 4.613 4.340 0.054 0.000 0.241 246 Q C -2.003 173.779 176.000 -0.363 0.000 0.958 246 Q CA -1.417 54.137 55.803 -0.415 0.000 0.715 246 Q CB 1.698 30.072 28.738 -0.607 0.000 1.298 246 Q HN -0.032 nan 8.270 nan 0.000 0.468 247 P HA -0.180 nan 4.420 nan 0.000 0.230 247 P C 0.993 177.985 177.300 -0.513 0.000 1.158 247 P CA 0.913 63.760 63.100 -0.421 0.000 0.769 247 P CB 0.275 31.695 31.700 -0.466 0.000 0.807 248 E N 0.723 120.485 120.200 -0.730 0.000 2.209 248 E HA -0.184 4.199 4.350 0.054 0.000 0.196 248 E C 1.358 177.902 176.600 -0.093 0.000 0.993 248 E CA 1.833 58.056 56.400 -0.295 0.000 0.819 248 E CB -1.342 28.258 29.700 -0.168 0.000 0.745 248 E HN 0.267 nan 8.360 nan 0.000 0.477 249 T N -0.701 113.803 114.554 -0.084 0.000 3.072 249 T HA 0.020 4.402 4.350 0.054 0.000 0.266 249 T C 1.865 176.626 174.700 0.102 0.000 1.127 249 T CA 0.415 62.534 62.100 0.032 0.000 1.107 249 T CB -0.279 68.635 68.868 0.078 0.000 0.910 249 T HN 0.151 nan 8.240 nan 0.000 0.513 250 L N -0.190 121.098 121.223 0.109 0.000 2.201 250 L HA 0.006 4.378 4.340 0.054 0.000 0.212 250 L C 2.813 179.850 176.870 0.279 0.000 1.105 250 L CA 1.365 56.346 54.840 0.235 0.000 0.775 250 L CB -0.709 41.505 42.059 0.259 0.000 0.913 250 L HN 0.463 nan 8.230 nan 0.000 0.440 251 H N 0.169 119.282 119.070 0.072 0.000 2.270 251 H HA -0.202 4.386 4.556 0.054 0.000 0.299 251 H C 2.121 177.439 175.328 -0.018 0.000 1.077 251 H CA 1.838 57.922 56.048 0.060 0.000 1.294 251 H CB 0.243 30.007 29.762 0.003 0.000 1.371 251 H HN 0.355 nan 8.280 nan 0.000 0.491 252 N N -0.161 118.339 118.700 -0.334 0.000 2.244 252 N HA -0.128 4.644 4.740 0.054 0.000 0.183 252 N C 1.956 177.276 175.510 -0.316 0.000 1.016 252 N CA 0.724 53.355 53.050 -0.698 0.000 0.866 252 N CB 0.273 37.822 38.487 -1.564 0.000 0.980 252 N HN 0.116 nan 8.380 nan 0.000 0.430 253 V N 1.690 121.648 119.914 0.075 0.000 2.332 253 V HA -0.259 3.893 4.120 0.054 0.000 0.248 253 V C 2.471 178.688 176.094 0.205 0.000 1.055 253 V CA 1.268 63.764 62.300 0.327 0.000 1.038 253 V CB -0.361 31.712 31.823 0.416 0.000 0.651 253 V HN 0.408 nan 8.190 nan 0.000 0.450 254 M N -1.645 118.111 119.600 0.260 0.000 2.108 254 M HA -0.218 4.295 4.480 0.054 0.000 0.261 254 M C 2.077 178.345 176.300 -0.053 0.000 1.066 254 M CA 1.906 57.348 55.300 0.237 0.000 1.107 254 M CB -1.233 31.529 32.600 0.269 0.000 1.356 254 M HN 0.473 nan 8.290 nan 0.000 0.406 255 W N 0.561 121.566 121.300 -0.492 0.000 2.355 255 W HA -0.088 4.604 4.660 0.054 0.000 0.309 255 W C 2.830 179.275 176.519 -0.124 0.000 1.206 255 W CA 1.846 58.896 57.345 -0.493 0.000 1.284 255 W CB -1.067 28.042 29.460 -0.585 0.000 1.145 255 W HN 0.288 nan 8.180 nan 0.000 0.502 256 A N -0.631 122.270 122.820 0.134 0.000 1.972 256 A HA -0.181 4.172 4.320 0.054 0.000 0.219 256 A C 1.922 179.555 177.584 0.082 0.000 1.169 256 A CA 1.670 53.794 52.037 0.145 0.000 0.635 256 A CB -0.588 18.541 19.000 0.214 0.000 0.810 256 A HN 0.110 nan 8.150 nan 0.000 0.446 257 M N 0.651 120.252 119.600 0.002 0.000 2.562 257 M HA 0.023 4.535 4.480 0.054 0.000 0.257 257 M C 1.425 177.764 176.300 0.065 0.000 1.099 257 M CA 0.754 55.995 55.300 -0.099 0.000 1.099 257 M CB -1.344 30.934 32.600 -0.537 0.000 1.427 257 M HN 0.554 nan 8.290 nan 0.000 0.489 258 S N 0.171 115.969 115.700 0.165 0.000 2.641 258 S HA 0.101 4.603 4.470 0.054 0.000 0.261 258 S C 0.771 175.505 174.600 0.223 0.000 1.257 258 S CA -0.432 57.910 58.200 0.237 0.000 0.983 258 S CB 1.014 64.403 63.200 0.315 0.000 0.990 258 S HN 0.176 nan 8.310 nan 0.000 0.572 259 D N 0.263 120.818 120.400 0.258 0.000 2.350 259 D HA 0.005 4.678 4.640 0.054 0.000 0.216 259 D C 1.945 178.399 176.300 0.256 0.000 0.968 259 D CA 0.384 54.556 54.000 0.287 0.000 0.894 259 D CB -0.201 40.841 40.800 0.404 0.000 0.909 259 D HN 0.389 nan 8.370 nan 0.000 0.520 260 R N 0.355 120.999 120.500 0.239 0.000 2.154 260 R HA -0.114 4.258 4.340 0.054 0.000 0.248 260 R C 2.089 178.552 176.300 0.270 0.000 1.155 260 R CA 1.175 57.441 56.100 0.278 0.000 0.979 260 R CB -0.995 29.534 30.300 0.382 0.000 0.869 260 R HN 0.215 nan 8.270 nan 0.000 0.452 261 G N 1.215 110.160 108.800 0.241 0.000 2.679 261 G HA2 -0.039 3.953 3.960 0.054 0.000 0.212 261 G HA3 -0.039 3.953 3.960 0.054 0.000 0.212 261 G C 1.059 176.104 174.900 0.242 0.000 1.137 261 G CA 0.218 45.452 45.100 0.223 0.000 0.787 261 G HN 0.445 nan 8.290 nan 0.000 0.534 262 I N -2.197 118.527 120.570 0.256 0.000 2.948 262 I HA 0.344 4.546 4.170 0.054 0.000 0.308 262 I C -2.875 173.399 176.117 0.262 0.000 1.478 262 I CA -2.519 58.937 61.300 0.261 0.000 0.843 262 I CB 1.635 39.792 38.000 0.262 0.000 2.100 262 I HN -0.264 nan 8.210 nan 0.000 0.625 263 P HA 0.071 nan 4.420 nan 0.000 0.269 263 P C 0.617 178.062 177.300 0.243 0.000 1.209 263 P CA -0.131 63.086 63.100 0.194 0.000 0.776 263 P CB 1.126 32.876 31.700 0.085 0.000 0.876 264 R N 1.743 122.367 120.500 0.206 0.000 2.115 264 R HA 0.011 4.384 4.340 0.054 0.000 0.230 264 R C 0.427 176.867 176.300 0.234 0.000 1.111 264 R CA 1.451 57.716 56.100 0.275 0.000 0.976 264 R CB -0.383 30.046 30.300 0.215 0.000 0.870 264 R HN 0.542 nan 8.270 nan 0.000 0.445 265 S N -2.859 112.770 115.700 -0.118 0.000 2.567 265 S HA 0.224 4.726 4.470 0.054 0.000 0.270 265 S C -0.431 173.849 174.600 -0.534 0.000 1.152 265 S CA -0.861 57.112 58.200 -0.379 0.000 0.835 265 S CB 0.165 63.278 63.200 -0.146 0.000 1.115 265 S HN 0.110 nan 8.310 nan 0.000 0.459 266 Y N 2.107 122.028 120.300 -0.631 0.000 2.421 266 Y HA 0.112 4.694 4.550 0.053 0.000 0.292 266 Y C 2.338 177.885 175.900 -0.588 0.000 1.136 266 Y CA 0.884 58.499 58.100 -0.807 0.000 1.255 266 Y CB -0.266 37.302 38.460 -1.487 0.000 0.991 266 Y HN 0.547 nan 8.280 nan 0.000 0.552 267 R N -0.436 119.935 120.500 -0.216 0.000 2.237 267 R HA -0.044 4.329 4.340 0.054 0.000 0.219 267 R C 0.913 177.173 176.300 -0.066 0.000 1.080 267 R CA 1.525 57.552 56.100 -0.122 0.000 0.995 267 R CB -0.408 29.815 30.300 -0.129 0.000 0.875 267 R HN 0.328 nan 8.270 nan 0.000 0.462 268 T N -1.870 112.659 114.554 -0.041 0.000 3.374 268 T HA 0.366 4.749 4.350 0.054 0.000 0.267 268 T C 0.125 174.863 174.700 0.063 0.000 0.996 268 T CA -0.692 61.411 62.100 0.006 0.000 0.977 268 T CB -0.083 68.773 68.868 -0.019 0.000 1.149 268 T HN 0.071 nan 8.240 nan 0.000 0.517 269 M N -1.158 118.522 119.600 0.133 0.000 2.619 269 M HA 0.733 5.246 4.480 0.054 0.000 0.297 269 M C -1.238 175.231 176.300 0.281 0.000 1.229 269 M CA -0.897 54.519 55.300 0.192 0.000 0.860 269 M CB 2.095 34.805 32.600 0.184 0.000 1.741 269 M HN -0.140 nan 8.290 nan 0.000 0.462 270 E N 0.513 120.874 120.200 0.267 0.000 2.349 270 E HA 0.612 4.994 4.350 0.054 0.000 0.262 270 E C -0.224 176.424 176.600 0.080 0.000 1.088 270 E CA -0.492 55.999 56.400 0.151 0.000 0.899 270 E CB 1.564 31.271 29.700 0.011 0.000 1.044 270 E HN 0.841 nan 8.360 nan 0.000 0.420 271 G N 1.000 109.713 108.800 -0.144 0.000 2.481 271 G HA2 0.635 4.627 3.960 0.054 0.000 0.315 271 G HA3 0.635 4.627 3.960 0.054 0.000 0.315 271 G C -1.395 173.060 174.900 -0.743 0.000 1.231 271 G CA -0.468 44.511 45.100 -0.202 0.000 0.968 271 G HN 0.293 nan 8.290 nan 0.000 0.482 272 F N -0.722 119.175 119.950 -0.087 0.000 2.601 272 F HA 0.504 5.063 4.527 0.054 0.000 0.309 272 F C 1.042 176.755 175.800 -0.146 0.000 1.089 272 F CA -0.605 57.264 58.000 -0.218 0.000 0.940 272 F CB 2.551 41.374 39.000 -0.295 0.000 1.273 272 F HN 0.592 nan 8.300 nan 0.000 0.450 273 G N -0.476 108.390 108.800 0.109 0.000 2.920 273 G HA2 0.167 4.160 3.960 0.054 0.000 0.208 273 G HA3 0.167 4.160 3.960 0.054 0.000 0.208 273 G C 0.718 175.705 174.900 0.144 0.000 1.159 273 G CA 0.642 45.862 45.100 0.201 0.000 0.784 273 G HN 1.000 nan 8.290 nan 0.000 0.535 274 C N -1.429 117.846 119.300 -0.041 0.000 5.885 274 C HA -0.160 4.332 4.460 0.054 0.000 0.326 274 C C 0.795 175.522 174.990 -0.438 0.000 2.417 274 C CA 0.792 59.619 59.018 -0.319 0.000 2.180 274 C CB -2.011 25.422 27.740 -0.512 0.000 3.219 274 C HN 0.615 nan 8.230 nan 0.000 0.273 275 H N -0.217 118.893 119.070 0.067 0.000 2.771 275 H HA 0.465 5.053 4.556 0.054 0.000 0.367 275 H C -0.174 175.133 175.328 -0.035 0.000 1.172 275 H CA 0.029 56.039 56.048 -0.062 0.000 1.186 275 H CB 0.843 30.445 29.762 -0.268 0.000 1.790 275 H HN 0.247 nan 8.280 nan 0.000 0.556 276 T N 2.696 117.257 114.554 0.011 0.000 2.799 276 T HA 0.191 4.573 4.350 0.054 0.000 0.296 276 T C 0.170 174.844 174.700 -0.044 0.000 0.947 276 T CA 0.262 62.351 62.100 -0.019 0.000 1.141 276 T CB -0.434 68.367 68.868 -0.110 0.000 0.891 276 T HN 0.190 nan 8.240 nan 0.000 0.533 277 F N 1.393 121.292 119.950 -0.085 0.000 2.544 277 F HA 0.651 5.210 4.527 0.054 0.000 0.378 277 F C 1.117 176.870 175.800 -0.077 0.000 1.112 277 F CA -1.322 56.653 58.000 -0.041 0.000 1.115 277 F CB 1.306 40.258 39.000 -0.079 0.000 1.436 277 F HN 0.196 nan 8.300 nan 0.000 0.496 278 R N 0.508 121.068 120.500 0.100 0.000 2.740 278 R HA 0.621 4.994 4.340 0.054 0.000 0.282 278 R C -1.595 174.593 176.300 -0.186 0.000 0.969 278 R CA -0.870 55.154 56.100 -0.128 0.000 0.918 278 R CB 1.944 32.102 30.300 -0.237 0.000 1.175 278 R HN 0.422 nan 8.270 nan 0.000 0.464 279 L N 3.393 124.457 121.223 -0.265 0.000 2.325 279 L HA 0.533 4.906 4.340 0.054 0.000 0.279 279 L C -0.372 176.343 176.870 -0.260 0.000 1.054 279 L CA -0.862 53.829 54.840 -0.248 0.000 0.804 279 L CB 1.134 43.053 42.059 -0.233 0.000 1.200 279 L HN 0.358 nan 8.230 nan 0.000 0.436 280 I N 2.547 122.988 120.570 -0.215 0.000 2.447 280 I HA 0.264 4.466 4.170 0.054 0.000 0.287 280 I C -0.359 175.670 176.117 -0.146 0.000 1.023 280 I CA -0.686 60.489 61.300 -0.207 0.000 1.083 280 I CB 1.458 39.344 38.000 -0.190 0.000 1.245 280 I HN 0.642 nan 8.210 nan 0.000 0.434 281 N N 4.863 123.489 118.700 -0.124 0.000 2.448 281 N HA 0.385 5.158 4.740 0.054 0.000 0.274 281 N C 0.848 176.317 175.510 -0.069 0.000 1.239 281 N CA -0.327 52.670 53.050 -0.087 0.000 0.982 281 N CB 0.690 39.134 38.487 -0.072 0.000 1.199 281 N HN 0.526 nan 8.380 nan 0.000 0.576 282 A N -0.554 122.234 122.820 -0.053 0.000 2.019 282 A HA -0.119 4.233 4.320 0.054 0.000 0.219 282 A C 1.549 179.112 177.584 -0.036 0.000 1.164 282 A CA 1.257 53.268 52.037 -0.042 0.000 0.644 282 A CB -0.695 18.286 19.000 -0.031 0.000 0.805 282 A HN 0.685 nan 8.150 nan 0.000 0.449 283 E N -1.274 118.906 120.200 -0.033 0.000 2.418 283 E HA 0.176 4.559 4.350 0.054 0.000 0.197 283 E C 1.390 177.979 176.600 -0.018 0.000 1.026 283 E CA 0.689 57.074 56.400 -0.024 0.000 0.862 283 E CB -0.345 29.341 29.700 -0.024 0.000 0.799 283 E HN 0.794 nan 8.360 nan 0.000 0.518 284 G N 0.943 109.728 108.800 -0.024 0.000 2.157 284 G HA2 -0.331 3.661 3.960 0.054 0.000 0.239 284 G HA3 -0.331 3.661 3.960 0.054 0.000 0.239 284 G C 0.334 175.249 174.900 0.024 0.000 0.982 284 G CA 0.251 45.356 45.100 0.009 0.000 0.650 284 G HN 0.279 nan 8.290 nan 0.000 0.527 285 K N 0.955 121.330 120.400 -0.042 0.000 2.379 285 K HA 0.626 4.978 4.320 0.054 0.000 0.284 285 K C 0.676 177.135 176.600 -0.235 0.000 1.044 285 K CA 0.287 56.519 56.287 -0.092 0.000 0.974 285 K CB 0.443 32.892 32.500 -0.085 0.000 0.962 285 K HN 0.568 nan 8.250 nan 0.000 0.474 286 A N 3.601 126.166 122.820 -0.425 0.000 2.309 286 A HA 0.403 4.756 4.320 0.054 0.000 0.298 286 A C -0.673 176.591 177.584 -0.532 0.000 1.165 286 A CA -0.445 51.176 52.037 -0.693 0.000 0.821 286 A CB 1.061 19.204 19.000 -1.427 0.000 1.102 286 A HN 0.720 nan 8.150 nan 0.000 0.500 287 T N 2.285 116.566 114.554 -0.455 0.000 2.841 287 T HA 0.541 4.924 4.350 0.054 0.000 0.283 287 T C -0.633 173.846 174.700 -0.369 0.000 1.000 287 T CA -0.096 61.789 62.100 -0.358 0.000 0.977 287 T CB 0.506 69.257 68.868 -0.194 0.000 0.979 287 T HN 0.342 nan 8.240 nan 0.000 0.446 288 F N 1.984 121.843 119.950 -0.153 0.000 2.459 288 F HA 0.533 5.093 4.527 0.054 0.000 0.346 288 F C 0.549 176.238 175.800 -0.185 0.000 1.128 288 F CA -0.423 57.484 58.000 -0.155 0.000 1.268 288 F CB 0.750 39.682 39.000 -0.113 0.000 1.161 288 F HN 0.184 nan 8.300 nan 0.000 0.583 289 V N 4.743 124.633 119.914 -0.040 0.000 2.808 289 V HA 0.566 4.718 4.120 0.054 0.000 0.308 289 V C -1.003 174.876 176.094 -0.358 0.000 1.099 289 V CA -0.717 61.408 62.300 -0.292 0.000 0.920 289 V CB 1.950 33.379 31.823 -0.656 0.000 1.014 289 V HN 0.769 nan 8.190 nan 0.000 0.425 290 R N 4.821 125.168 120.500 -0.254 0.000 2.562 290 R HA 0.578 4.950 4.340 0.054 0.000 0.298 290 R C -1.557 174.661 176.300 -0.137 0.000 0.961 290 R CA -0.491 55.474 56.100 -0.225 0.000 0.881 290 R CB 2.038 32.337 30.300 -0.003 0.000 1.159 290 R HN 0.597 nan 8.270 nan 0.000 0.450 291 F N 1.973 121.959 119.950 0.060 0.000 2.385 291 F HA 0.360 4.920 4.527 0.054 0.000 0.336 291 F C 0.951 176.695 175.800 -0.094 0.000 1.100 291 F CA -0.114 57.895 58.000 0.015 0.000 1.116 291 F CB 0.884 39.778 39.000 -0.177 0.000 1.166 291 F HN 0.203 nan 8.300 nan 0.000 0.511 292 H N 0.858 119.954 119.070 0.043 0.000 2.768 292 H HA 0.247 4.835 4.556 0.054 0.000 0.371 292 H C -1.533 173.595 175.328 -0.334 0.000 1.151 292 H CA -0.984 54.983 56.048 -0.135 0.000 1.165 292 H CB 1.915 31.683 29.762 0.010 0.000 1.722 292 H HN 0.669 nan 8.280 nan 0.000 0.543 293 W N 2.312 123.510 121.300 -0.171 0.000 2.471 293 W HA 0.317 5.010 4.660 0.054 0.000 0.318 293 W C -0.046 176.504 176.519 0.053 0.000 1.034 293 W CA -0.798 56.501 57.345 -0.077 0.000 1.224 293 W CB 1.720 30.960 29.460 -0.368 0.000 1.335 293 W HN 0.281 nan 8.180 nan 0.000 0.452 294 K N 5.824 126.499 120.400 0.458 0.000 2.240 294 K HA 0.360 4.712 4.320 0.054 0.000 0.271 294 K C -2.373 174.454 176.600 0.378 0.000 1.018 294 K CA -1.881 54.609 56.287 0.339 0.000 0.874 294 K CB 1.274 33.925 32.500 0.253 0.000 1.098 294 K HN 0.042 nan 8.250 nan 0.000 0.458 295 P HA 0.049 nan 4.420 nan 0.000 0.282 295 P C 0.258 177.566 177.300 0.013 0.000 1.274 295 P CA -0.089 63.081 63.100 0.116 0.000 0.770 295 P CB 0.829 32.613 31.700 0.140 0.000 0.867 296 L N 2.665 123.838 121.223 -0.084 0.000 2.478 296 L HA -0.030 4.343 4.340 0.054 0.000 0.223 296 L C 2.171 179.019 176.870 -0.036 0.000 1.140 296 L CA 0.857 55.685 54.840 -0.020 0.000 0.842 296 L CB -0.494 41.559 42.059 -0.011 0.000 0.953 296 L HN 0.349 nan 8.230 nan 0.000 0.452 297 A N 0.051 122.821 122.820 -0.083 0.000 2.238 297 A HA 0.395 4.748 4.320 0.054 0.000 0.208 297 A C 1.267 178.845 177.584 -0.010 0.000 1.177 297 A CA 0.698 52.704 52.037 -0.051 0.000 0.804 297 A CB -0.386 18.566 19.000 -0.081 0.000 0.823 297 A HN 0.450 nan 8.150 nan 0.000 0.482 298 G N -0.728 108.079 108.800 0.012 0.000 2.756 298 G HA2 -0.130 3.862 3.960 0.054 0.000 0.678 298 G HA3 -0.130 3.862 3.960 0.054 0.000 0.678 298 G C -0.642 174.284 174.900 0.043 0.000 1.349 298 G CA -0.419 44.707 45.100 0.044 0.000 0.847 298 G HN 0.454 nan 8.290 nan 0.000 0.548 299 K N 0.170 120.600 120.400 0.051 0.000 2.183 299 K HA 0.714 5.066 4.320 0.054 0.000 0.274 299 K C 0.185 176.775 176.600 -0.017 0.000 1.009 299 K CA 0.233 56.533 56.287 0.021 0.000 0.888 299 K CB 1.730 34.227 32.500 -0.005 0.000 1.078 299 K HN 1.484 nan 8.250 nan 0.000 0.459 300 A N 1.805 124.605 122.820 -0.034 0.000 2.532 300 A HA 0.539 4.891 4.320 0.054 0.000 0.296 300 A C -1.161 176.462 177.584 0.066 0.000 1.058 300 A CA -0.682 51.286 52.037 -0.115 0.000 0.729 300 A CB 1.643 20.362 19.000 -0.469 0.000 1.285 300 A HN 0.498 nan 8.150 nan 0.000 0.396 301 S N 0.986 116.892 115.700 0.344 0.000 2.599 301 S HA 0.738 5.241 4.470 0.054 0.000 0.294 301 S C 0.089 175.011 174.600 0.536 0.000 1.094 301 S CA -0.614 57.830 58.200 0.407 0.000 0.931 301 S CB 1.184 64.617 63.200 0.389 0.000 1.093 301 S HN 0.648 nan 8.310 nan 0.000 0.488 302 L N 1.521 122.950 121.223 0.343 0.000 2.464 302 L HA 0.437 4.810 4.340 0.054 0.000 0.224 302 L C 0.224 177.220 176.870 0.209 0.000 1.219 302 L CA -0.600 54.365 54.840 0.209 0.000 0.831 302 L CB 0.073 42.162 42.059 0.049 0.000 1.284 302 L HN 0.488 nan 8.230 nan 0.000 0.522 303 V N -3.052 116.882 119.914 0.033 0.000 2.881 303 V HA 0.189 4.342 4.120 0.054 0.000 0.316 303 V C 0.618 176.659 176.094 -0.090 0.000 1.070 303 V CA -0.793 61.501 62.300 -0.009 0.000 0.976 303 V CB 1.639 33.436 31.823 -0.044 0.000 1.038 303 V HN 0.945 nan 8.190 nan 0.000 0.446 304 W N 1.536 122.701 121.300 -0.224 0.000 2.355 304 W HA -0.177 4.515 4.660 0.053 0.000 0.309 304 W C 1.767 178.126 176.519 -0.266 0.000 1.206 304 W CA 2.383 59.588 57.345 -0.234 0.000 1.284 304 W CB -0.049 29.249 29.460 -0.270 0.000 1.145 304 W HN 0.998 nan 8.180 nan 0.000 0.502 305 D N 0.366 120.479 120.400 -0.479 0.000 2.144 305 D HA -0.289 4.383 4.640 0.054 0.000 0.199 305 D C 2.127 178.067 176.300 -0.601 0.000 0.984 305 D CA 2.045 55.726 54.000 -0.532 0.000 0.834 305 D CB -0.446 40.299 40.800 -0.092 0.000 0.955 305 D HN 0.371 nan 8.370 nan 0.000 0.465 306 E N -0.320 119.397 120.200 -0.806 0.000 2.047 306 E HA -0.198 4.184 4.350 0.054 0.000 0.191 306 E C 2.033 178.283 176.600 -0.584 0.000 0.987 306 E CA 1.055 56.922 56.400 -0.889 0.000 0.799 306 E CB -0.235 28.807 29.700 -1.096 0.000 0.752 306 E HN 0.305 nan 8.360 nan 0.000 0.449 307 A N 1.198 123.697 122.820 -0.535 0.000 1.902 307 A HA -0.264 4.088 4.320 0.054 0.000 0.217 307 A C 2.195 179.440 177.584 -0.565 0.000 1.181 307 A CA 1.831 53.603 52.037 -0.442 0.000 0.623 307 A CB -0.712 18.134 19.000 -0.256 0.000 0.818 307 A HN 0.452 nan 8.150 nan 0.000 0.443 308 Q N -0.515 118.739 119.800 -0.911 0.000 2.016 308 Q HA -0.202 4.171 4.340 0.054 0.000 0.200 308 Q C 2.211 177.936 176.000 -0.459 0.000 0.978 308 Q CA 1.887 57.188 55.803 -0.838 0.000 0.833 308 Q CB -0.174 27.807 28.738 -1.261 0.000 0.895 308 Q HN 0.662 nan 8.270 nan 0.000 0.427 309 K N 0.032 120.182 120.400 -0.417 0.000 2.103 309 K HA -0.179 4.174 4.320 0.054 0.000 0.207 309 K C 2.086 178.545 176.600 -0.235 0.000 1.048 309 K CA 0.996 57.132 56.287 -0.252 0.000 0.930 309 K CB -0.117 32.279 32.500 -0.174 0.000 0.716 309 K HN 0.180 nan 8.250 nan 0.000 0.444 310 L N 1.343 122.381 121.223 -0.307 0.000 2.201 310 L HA -0.138 4.234 4.340 0.054 0.000 0.212 310 L C 2.208 178.944 176.870 -0.224 0.000 1.105 310 L CA 2.203 56.863 54.840 -0.300 0.000 0.775 310 L CB -0.926 40.863 42.059 -0.451 0.000 0.913 310 L HN 0.359 nan 8.230 nan 0.000 0.440 311 T N -4.140 110.284 114.554 -0.216 0.000 2.803 311 T HA -0.114 4.269 4.350 0.054 0.000 0.269 311 T C 1.856 176.493 174.700 -0.105 0.000 1.052 311 T CA 1.151 63.165 62.100 -0.143 0.000 1.136 311 T CB -1.066 67.728 68.868 -0.123 0.000 0.864 311 T HN 0.395 nan 8.240 nan 0.000 0.467 312 G N 1.015 109.745 108.800 -0.116 0.000 2.437 312 G HA2 0.008 4.000 3.960 0.054 0.000 0.212 312 G HA3 0.008 4.000 3.960 0.054 0.000 0.212 312 G C 1.905 176.763 174.900 -0.070 0.000 1.174 312 G CA -0.241 44.809 45.100 -0.082 0.000 0.811 312 G HN 0.316 nan 8.290 nan 0.000 0.537 313 R N 0.244 120.694 120.500 -0.084 0.000 2.115 313 R HA 0.053 4.425 4.340 0.054 0.000 0.226 313 R C -0.196 176.080 176.300 -0.039 0.000 1.100 313 R CA 0.761 56.826 56.100 -0.059 0.000 0.980 313 R CB -0.133 30.125 30.300 -0.071 0.000 0.875 313 R HN 0.347 nan 8.270 nan 0.000 0.445 314 D N -0.613 119.759 120.400 -0.047 0.000 2.351 314 D HA 0.129 4.801 4.640 0.054 0.000 0.235 314 D C -2.221 174.081 176.300 0.002 0.000 1.331 314 D CA -1.626 52.378 54.000 0.007 0.000 0.959 314 D CB 1.401 42.255 40.800 0.091 0.000 1.432 314 D HN -0.147 nan 8.370 nan 0.000 0.544 315 P HA 0.060 nan 4.420 nan 0.000 0.234 315 P C 0.035 177.340 177.300 0.009 0.000 1.167 315 P CA 0.488 63.576 63.100 -0.019 0.000 0.763 315 P CB 0.504 32.190 31.700 -0.024 0.000 0.835 316 D N -1.380 119.037 120.400 0.028 0.000 2.388 316 D HA 0.070 4.742 4.640 0.054 0.000 0.221 316 D C 1.201 177.541 176.300 0.066 0.000 1.133 316 D CA -0.404 53.619 54.000 0.038 0.000 0.831 316 D CB -0.476 40.324 40.800 -0.000 0.000 0.962 316 D HN 0.123 nan 8.370 nan 0.000 0.502 317 F N 1.315 121.210 119.950 -0.091 0.000 2.126 317 F HA -0.221 4.338 4.527 0.053 0.000 0.299 317 F C 2.064 177.844 175.800 -0.034 0.000 1.096 317 F CA 1.827 59.774 58.000 -0.089 0.000 1.255 317 F CB 0.041 38.934 39.000 -0.178 0.000 0.997 317 F HN 0.098 nan 8.300 nan 0.000 0.479 318 H N -1.115 117.889 119.070 -0.110 0.000 2.389 318 H HA -0.099 4.489 4.556 0.054 0.000 0.299 318 H C 2.365 177.593 175.328 -0.167 0.000 1.081 318 H CA 0.936 56.765 56.048 -0.364 0.000 1.345 318 H CB -0.117 29.248 29.762 -0.660 0.000 1.393 318 H HN 0.195 nan 8.280 nan 0.000 0.520 319 R N 1.305 121.899 120.500 0.156 0.000 2.081 319 R HA -0.112 4.260 4.340 0.054 0.000 0.235 319 R C 2.417 178.818 176.300 0.167 0.000 1.131 319 R CA 1.168 57.414 56.100 0.243 0.000 0.960 319 R CB -0.017 30.417 30.300 0.223 0.000 0.856 319 R HN 0.191 nan 8.270 nan 0.000 0.436 320 R N 0.298 120.819 120.500 0.035 0.000 2.075 320 R HA -0.128 4.244 4.340 0.054 0.000 0.232 320 R C 2.107 178.398 176.300 -0.015 0.000 1.126 320 R CA 1.577 57.678 56.100 0.003 0.000 0.963 320 R CB -0.140 30.122 30.300 -0.064 0.000 0.858 320 R HN 0.268 nan 8.270 nan 0.000 0.435 321 E N 0.576 120.662 120.200 -0.190 0.000 2.106 321 E HA -0.180 4.203 4.350 0.054 0.000 0.192 321 E C 1.988 178.556 176.600 -0.053 0.000 0.984 321 E CA 0.845 57.104 56.400 -0.234 0.000 0.806 321 E CB -0.009 29.388 29.700 -0.506 0.000 0.750 321 E HN 0.247 nan 8.360 nan 0.000 0.458 322 L N 0.863 122.100 121.223 0.023 0.000 2.017 322 L HA -0.146 4.226 4.340 0.054 0.000 0.208 322 L C 2.209 179.185 176.870 0.177 0.000 1.073 322 L CA 1.781 56.688 54.840 0.111 0.000 0.745 322 L CB -0.872 41.318 42.059 0.218 0.000 0.894 322 L HN 0.307 nan 8.230 nan 0.000 0.432 323 W N 0.816 122.152 121.300 0.061 0.000 2.358 323 W HA -0.192 4.500 4.660 0.055 0.000 0.303 323 W C 2.167 178.716 176.519 0.049 0.000 1.208 323 W CA 2.053 59.446 57.345 0.080 0.000 1.274 323 W CB -0.047 29.464 29.460 0.084 0.000 1.138 323 W HN 0.352 nan 8.180 nan 0.000 0.515 324 E N 0.054 120.426 120.200 0.287 0.000 2.107 324 E HA -0.133 4.249 4.350 0.054 0.000 0.191 324 E C 2.397 179.024 176.600 0.045 0.000 0.982 324 E CA 1.074 57.563 56.400 0.148 0.000 0.809 324 E CB -0.374 29.366 29.700 0.067 0.000 0.756 324 E HN 0.167 nan 8.360 nan 0.000 0.459 325 A N 1.493 124.336 122.820 0.039 0.000 1.865 325 A HA -0.218 4.135 4.320 0.054 0.000 0.217 325 A C 2.185 179.781 177.584 0.020 0.000 1.191 325 A CA 1.297 53.347 52.037 0.021 0.000 0.623 325 A CB -0.691 18.323 19.000 0.024 0.000 0.826 325 A HN 0.154 nan 8.150 nan 0.000 0.444 326 I N -0.568 120.039 120.570 0.061 0.000 2.226 326 I HA -0.242 3.960 4.170 0.054 0.000 0.245 326 I C 2.477 178.650 176.117 0.094 0.000 1.100 326 I CA 1.506 62.894 61.300 0.147 0.000 1.374 326 I CB -0.436 37.587 38.000 0.038 0.000 1.057 326 I HN 0.444 nan 8.210 nan 0.000 0.413 327 E N 0.736 120.944 120.200 0.013 0.000 2.204 327 E HA -0.165 4.218 4.350 0.054 0.000 0.194 327 E C 2.107 178.714 176.600 0.011 0.000 0.989 327 E CA 1.157 57.576 56.400 0.032 0.000 0.824 327 E CB -0.050 29.699 29.700 0.082 0.000 0.756 327 E HN 0.496 nan 8.360 nan 0.000 0.477 328 A N 0.050 122.849 122.820 -0.035 0.000 2.218 328 A HA 0.233 4.586 4.320 0.054 0.000 0.209 328 A C 1.727 179.227 177.584 -0.140 0.000 1.168 328 A CA 0.892 52.889 52.037 -0.068 0.000 0.804 328 A CB -0.034 18.915 19.000 -0.085 0.000 0.834 328 A HN 0.320 nan 8.150 nan 0.000 0.482 329 G N -0.377 108.237 108.800 -0.310 0.000 2.141 329 G HA2 -0.194 3.798 3.960 0.054 0.000 0.242 329 G HA3 -0.194 3.798 3.960 0.054 0.000 0.242 329 G C -0.238 174.148 174.900 -0.856 0.000 0.982 329 G CA 0.229 44.819 45.100 -0.850 0.000 0.662 329 G HN 0.437 nan 8.290 nan 0.000 0.527 330 D N 0.913 121.069 120.400 -0.406 0.000 2.845 330 D HA 0.277 4.949 4.640 0.054 0.000 0.235 330 D C 0.769 176.986 176.300 -0.137 0.000 1.158 330 D CA -0.154 53.715 54.000 -0.218 0.000 0.990 330 D CB -0.652 40.126 40.800 -0.037 0.000 1.094 330 D HN 0.431 nan 8.370 nan 0.000 0.486 331 F N 1.301 121.255 119.950 0.005 0.000 2.578 331 F HA 0.095 4.654 4.527 0.054 0.000 0.381 331 F C -1.361 174.411 175.800 -0.047 0.000 1.069 331 F CA -1.927 56.069 58.000 -0.008 0.000 1.231 331 F CB -0.057 38.951 39.000 0.012 0.000 1.086 331 F HN -0.101 nan 8.300 nan 0.000 0.564 332 P HA -0.013 nan 4.420 nan 0.000 0.261 332 P C -0.997 176.237 177.300 -0.110 0.000 1.183 332 P CA 0.531 63.614 63.100 -0.029 0.000 0.761 332 P CB 0.413 32.189 31.700 0.126 0.000 0.785 333 E N 2.347 122.331 120.200 -0.360 0.000 2.266 333 E HA 0.482 4.864 4.350 0.054 0.000 0.268 333 E C -1.052 175.226 176.600 -0.536 0.000 0.879 333 E CA -0.591 55.660 56.400 -0.248 0.000 0.762 333 E CB 1.560 31.213 29.700 -0.078 0.000 1.199 333 E HN 0.375 nan 8.360 nan 0.000 0.422 334 Y N 0.179 120.547 120.300 0.114 0.000 2.492 334 Y HA 0.245 4.827 4.550 0.054 0.000 0.346 334 Y C -0.335 175.800 175.900 0.392 0.000 0.997 334 Y CA -0.972 57.273 58.100 0.240 0.000 1.025 334 Y CB 2.015 40.588 38.460 0.188 0.000 1.263 334 Y HN 0.451 nan 8.280 nan 0.000 0.454 335 E N 2.844 123.379 120.200 0.560 0.000 2.109 335 E HA 0.360 4.742 4.350 0.054 0.000 0.278 335 E C -1.416 175.471 176.600 0.479 0.000 0.954 335 E CA -0.944 55.739 56.400 0.471 0.000 0.779 335 E CB 0.941 30.848 29.700 0.345 0.000 1.093 335 E HN 0.597 nan 8.360 nan 0.000 0.401 336 L N 4.517 125.959 121.223 0.365 0.000 2.410 336 L HA 0.443 4.815 4.340 0.054 0.000 0.273 336 L C -0.005 176.802 176.870 -0.105 0.000 1.152 336 L CA 0.732 55.479 54.840 -0.155 0.000 0.855 336 L CB 0.895 42.816 42.059 -0.230 0.000 1.129 336 L HN 0.578 nan 8.230 nan 0.000 0.463 337 G N 4.409 113.165 108.800 -0.073 0.000 2.619 337 G HA2 0.585 4.577 3.960 0.054 0.000 0.296 337 G HA3 0.585 4.577 3.960 0.054 0.000 0.296 337 G C -1.617 173.430 174.900 0.245 0.000 1.334 337 G CA -0.558 44.531 45.100 -0.019 0.000 0.934 337 G HN 0.463 nan 8.290 nan 0.000 0.476 338 F N 0.194 120.170 119.950 0.043 0.000 2.507 338 F HA 0.378 4.937 4.527 0.054 0.000 0.325 338 F C 0.313 176.114 175.800 0.002 0.000 1.116 338 F CA -0.977 57.050 58.000 0.046 0.000 0.930 338 F CB 2.542 41.552 39.000 0.017 0.000 1.146 338 F HN 0.141 nan 8.300 nan 0.000 0.447 339 Q N 4.357 124.283 119.800 0.211 0.000 2.274 339 Q HA 0.515 4.887 4.340 0.054 0.000 0.256 339 Q C -1.028 175.022 176.000 0.084 0.000 0.927 339 Q CA -0.437 55.432 55.803 0.110 0.000 0.939 339 Q CB 2.186 30.990 28.738 0.110 0.000 1.201 339 Q HN 0.551 nan 8.270 nan 0.000 0.426 340 L N 4.162 125.440 121.223 0.091 0.000 2.341 340 L HA 0.569 4.942 4.340 0.054 0.000 0.278 340 L C -0.894 176.035 176.870 0.099 0.000 1.005 340 L CA -0.821 54.063 54.840 0.074 0.000 0.818 340 L CB 1.336 43.446 42.059 0.084 0.000 1.259 340 L HN 0.515 nan 8.230 nan 0.000 0.418 341 I N 4.601 125.247 120.570 0.127 0.000 2.447 341 I HA 0.409 4.611 4.170 0.054 0.000 0.287 341 I C -2.269 173.963 176.117 0.191 0.000 1.023 341 I CA -1.831 59.588 61.300 0.197 0.000 1.083 341 I CB 1.793 39.944 38.000 0.252 0.000 1.245 341 I HN 0.299 nan 8.210 nan 0.000 0.434 342 P HA 0.052 nan 4.420 nan 0.000 0.270 342 P C 0.692 178.047 177.300 0.092 0.000 1.223 342 P CA -0.193 62.938 63.100 0.052 0.000 0.785 342 P CB 0.858 32.578 31.700 0.034 0.000 0.923 343 E N 1.718 121.875 120.200 -0.071 0.000 2.118 343 E HA -0.242 4.141 4.350 0.054 0.000 0.195 343 E C 1.333 178.006 176.600 0.121 0.000 0.992 343 E CA 1.115 57.469 56.400 -0.075 0.000 0.804 343 E CB 0.027 29.607 29.700 -0.199 0.000 0.741 343 E HN 0.477 nan 8.360 nan 0.000 0.458 344 E N 0.048 120.293 120.200 0.075 0.000 2.482 344 E HA -0.141 4.241 4.350 0.054 0.000 0.196 344 E C 0.300 176.949 176.600 0.082 0.000 1.047 344 E CA 0.642 57.093 56.400 0.085 0.000 0.869 344 E CB 0.117 29.849 29.700 0.053 0.000 0.836 344 E HN 0.234 nan 8.360 nan 0.000 0.520 345 D N 1.348 121.800 120.400 0.086 0.000 2.368 345 D HA 0.005 4.677 4.640 0.054 0.000 0.218 345 D C 1.310 177.609 176.300 -0.003 0.000 1.112 345 D CA -0.004 54.014 54.000 0.031 0.000 0.834 345 D CB 0.219 41.048 40.800 0.048 0.000 0.953 345 D HN 0.379 nan 8.370 nan 0.000 0.505 346 E N -0.149 120.024 120.200 -0.044 0.000 2.114 346 E HA -0.210 4.173 4.350 0.054 0.000 0.199 346 E C 0.368 176.603 176.600 -0.607 0.000 1.008 346 E CA 1.172 57.316 56.400 -0.427 0.000 0.810 346 E CB 0.017 29.316 29.700 -0.669 0.000 0.739 346 E HN 0.273 nan 8.360 nan 0.000 0.456 347 F N -0.573 119.364 119.950 -0.021 0.000 2.684 347 F HA 0.290 4.850 4.527 0.054 0.000 0.298 347 F C 1.225 176.931 175.800 -0.158 0.000 1.120 347 F CA -0.334 57.628 58.000 -0.064 0.000 1.332 347 F CB 0.633 39.611 39.000 -0.037 0.000 0.986 347 F HN -0.195 nan 8.300 nan 0.000 0.524 348 K N 0.038 120.308 120.400 -0.216 0.000 2.444 348 K HA 0.132 4.484 4.320 0.054 0.000 0.193 348 K C -0.245 175.894 176.600 -0.767 0.000 1.024 348 K CA 0.353 56.348 56.287 -0.487 0.000 1.077 348 K CB 0.223 32.373 32.500 -0.584 0.000 0.833 348 K HN 0.150 nan 8.250 nan 0.000 0.517 349 F N -0.482 119.318 119.950 -0.251 0.000 2.572 349 F HA 0.166 4.726 4.527 0.054 0.000 0.342 349 F C 1.201 176.825 175.800 -0.294 0.000 1.064 349 F CA -1.026 56.738 58.000 -0.393 0.000 1.008 349 F CB 0.785 39.164 39.000 -1.034 0.000 1.303 349 F HN -0.225 nan 8.300 nan 0.000 0.492 350 D N 0.166 120.590 120.400 0.040 0.000 2.363 350 D HA 0.016 4.688 4.640 0.054 0.000 0.220 350 D C -0.349 176.064 176.300 0.187 0.000 0.994 350 D CA 0.990 55.077 54.000 0.144 0.000 0.890 350 D CB -0.172 40.806 40.800 0.296 0.000 0.906 350 D HN 0.257 nan 8.370 nan 0.000 0.530 351 F N -1.460 118.580 119.950 0.150 0.000 2.631 351 F HA 0.485 5.044 4.527 0.054 0.000 0.328 351 F C -0.168 175.634 175.800 0.003 0.000 1.067 351 F CA -1.575 56.434 58.000 0.015 0.000 0.969 351 F CB 0.854 39.811 39.000 -0.072 0.000 1.332 351 F HN -0.412 nan 8.300 nan 0.000 0.490 352 D N 1.419 121.845 120.400 0.045 0.000 2.264 352 D HA 0.226 4.898 4.640 0.054 0.000 0.250 352 D C 0.888 177.138 176.300 -0.082 0.000 1.113 352 D CA -0.113 53.862 54.000 -0.043 0.000 0.871 352 D CB 1.602 42.398 40.800 -0.007 0.000 1.167 352 D HN 0.742 nan 8.370 nan 0.000 0.447 353 L N 3.359 124.466 121.223 -0.194 0.000 2.275 353 L HA -0.097 4.276 4.340 0.054 0.000 0.215 353 L C 1.982 178.727 176.870 -0.209 0.000 1.119 353 L CA 0.602 55.305 54.840 -0.228 0.000 0.790 353 L CB -0.053 41.718 42.059 -0.480 0.000 0.919 353 L HN 0.433 nan 8.230 nan 0.000 0.443 354 L N -0.920 120.207 121.223 -0.160 0.000 2.591 354 L HA 0.048 4.420 4.340 0.054 0.000 0.228 354 L C 0.437 177.238 176.870 -0.114 0.000 1.133 354 L CA -0.093 54.720 54.840 -0.045 0.000 0.880 354 L CB -0.269 41.881 42.059 0.152 0.000 1.033 354 L HN 0.106 nan 8.230 nan 0.000 0.450 355 D N 1.895 121.992 120.400 -0.504 0.000 2.347 355 D HA 0.118 4.790 4.640 0.054 0.000 0.235 355 D C -1.680 174.393 176.300 -0.378 0.000 1.149 355 D CA -2.292 51.143 54.000 -0.941 0.000 0.850 355 D CB 1.532 41.529 40.800 -1.338 0.000 1.061 355 D HN -0.060 nan 8.370 nan 0.000 0.487 356 P HA 0.011 nan 4.420 nan 0.000 0.253 356 P C 0.732 177.937 177.300 -0.159 0.000 1.260 356 P CA 0.346 63.374 63.100 -0.120 0.000 0.800 356 P CB -0.033 31.680 31.700 0.022 0.000 1.162 357 T N -4.232 110.218 114.554 -0.175 0.000 3.107 357 T HA 0.168 4.551 4.350 0.054 0.000 0.249 357 T C 0.725 175.342 174.700 -0.139 0.000 1.096 357 T CA -0.079 61.931 62.100 -0.151 0.000 1.012 357 T CB -0.145 68.679 68.868 -0.073 0.000 0.977 357 T HN -0.149 nan 8.240 nan 0.000 0.527 358 K N 1.998 122.225 120.400 -0.288 0.000 2.207 358 K HA 0.584 4.936 4.320 0.054 0.000 0.255 358 K C -0.343 176.084 176.600 -0.288 0.000 0.941 358 K CA -0.897 55.097 56.287 -0.489 0.000 0.825 358 K CB 2.209 34.291 32.500 -0.696 0.000 1.119 358 K HN 0.289 nan 8.250 nan 0.000 0.430 359 L N -0.443 120.736 121.223 -0.073 0.000 2.387 359 L HA 0.641 5.013 4.340 0.054 0.000 0.266 359 L C -0.040 176.640 176.870 -0.316 0.000 1.059 359 L CA -0.417 54.335 54.840 -0.146 0.000 0.801 359 L CB 0.337 42.385 42.059 -0.017 0.000 1.223 359 L HN 0.451 nan 8.230 nan 0.000 0.456 360 I N 1.689 122.171 120.570 -0.148 0.000 2.306 360 I HA 0.357 4.559 4.170 0.054 0.000 0.288 360 I C -2.112 174.010 176.117 0.009 0.000 1.036 360 I CA -1.664 59.597 61.300 -0.064 0.000 1.221 360 I CB 1.040 39.029 38.000 -0.017 0.000 1.385 360 I HN 0.459 nan 8.210 nan 0.000 0.472 361 P HA 0.059 nan 4.420 nan 0.000 0.268 361 P C 0.362 177.716 177.300 0.092 0.000 1.204 361 P CA -0.009 63.126 63.100 0.057 0.000 0.768 361 P CB 0.651 32.375 31.700 0.040 0.000 0.842 362 E N 1.753 122.016 120.200 0.105 0.000 2.204 362 E HA -0.206 4.176 4.350 0.054 0.000 0.195 362 E C 1.399 178.047 176.600 0.080 0.000 0.990 362 E CA 0.850 57.302 56.400 0.088 0.000 0.821 362 E CB -0.027 29.727 29.700 0.091 0.000 0.750 362 E HN 0.514 nan 8.360 nan 0.000 0.477 363 E N 0.420 120.668 120.200 0.081 0.000 2.160 363 E HA -0.159 4.224 4.350 0.054 0.000 0.195 363 E C 2.068 178.729 176.600 0.102 0.000 0.991 363 E CA 0.810 57.257 56.400 0.078 0.000 0.810 363 E CB 0.032 29.772 29.700 0.066 0.000 0.742 363 E HN 0.373 nan 8.360 nan 0.000 0.466 364 L N -0.445 120.860 121.223 0.136 0.000 2.168 364 L HA 0.050 4.422 4.340 0.054 0.000 0.203 364 L C 0.669 177.658 176.870 0.198 0.000 1.078 364 L CA 0.416 55.378 54.840 0.204 0.000 0.780 364 L CB 0.411 42.660 42.059 0.316 0.000 0.939 364 L HN -0.202 nan 8.230 nan 0.000 0.451 365 V N 1.590 121.592 119.914 0.146 0.000 2.398 365 V HA 0.323 4.475 4.120 0.054 0.000 0.282 365 V C -2.353 173.785 176.094 0.072 0.000 1.014 365 V CA -1.443 60.929 62.300 0.120 0.000 0.838 365 V CB 1.492 33.377 31.823 0.103 0.000 1.018 365 V HN -0.034 nan 8.190 nan 0.000 0.432 366 P HA 0.210 nan 4.420 nan 0.000 0.274 366 P C -0.305 176.995 177.300 -0.001 0.000 1.237 366 P CA -0.103 63.015 63.100 0.030 0.000 0.793 366 P CB 1.224 32.946 31.700 0.036 0.000 0.977 367 V N 2.878 122.758 119.914 -0.057 0.000 2.455 367 V HA 0.079 4.231 4.120 0.054 0.000 0.273 367 V C 0.863 176.944 176.094 -0.021 0.000 1.045 367 V CA 0.090 62.323 62.300 -0.111 0.000 0.976 367 V CB 0.185 31.851 31.823 -0.263 0.000 0.993 367 V HN 0.549 nan 8.190 nan 0.000 0.475 368 Q N 6.552 126.362 119.800 0.017 0.000 2.274 368 Q HA 0.354 4.726 4.340 0.054 0.000 0.256 368 Q C 0.326 176.316 176.000 -0.017 0.000 0.927 368 Q CA -0.815 54.998 55.803 0.018 0.000 0.939 368 Q CB 0.810 29.572 28.738 0.040 0.000 1.201 368 Q HN 0.820 nan 8.270 nan 0.000 0.426 369 R N 2.191 122.706 120.500 0.025 0.000 2.537 369 R HA 0.117 4.490 4.340 0.054 0.000 0.280 369 R C -0.529 175.792 176.300 0.034 0.000 1.058 369 R CA -0.331 55.821 56.100 0.087 0.000 1.057 369 R CB 0.710 31.138 30.300 0.213 0.000 0.973 369 R HN 0.508 nan 8.270 nan 0.000 0.438 370 V N 1.519 121.373 119.914 -0.099 0.000 2.996 370 V HA 0.336 4.488 4.120 0.054 0.000 0.235 370 V C 0.861 176.720 176.094 -0.391 0.000 1.205 370 V CA 1.094 63.217 62.300 -0.296 0.000 1.225 370 V CB 0.715 32.065 31.823 -0.788 0.000 0.995 370 V HN 1.067 nan 8.190 nan 0.000 0.484 371 G N -0.303 108.165 108.800 -0.553 0.000 2.430 371 G HA2 0.492 4.484 3.960 0.054 0.000 0.300 371 G HA3 0.492 4.484 3.960 0.054 0.000 0.300 371 G C -1.858 172.667 174.900 -0.625 0.000 1.330 371 G CA -0.522 43.898 45.100 -1.133 0.000 0.813 371 G HN 0.081 nan 8.290 nan 0.000 0.487 372 K N -0.394 119.659 120.400 -0.579 0.000 2.324 372 K HA 0.729 5.081 4.320 0.054 0.000 0.253 372 K C -0.812 175.811 176.600 0.038 0.000 0.932 372 K CA -0.773 55.482 56.287 -0.053 0.000 0.799 372 K CB 1.993 34.514 32.500 0.034 0.000 1.154 372 K HN 0.592 nan 8.250 nan 0.000 0.425 373 M N 4.761 124.530 119.600 0.281 0.000 2.311 373 M HA 0.406 4.919 4.480 0.054 0.000 0.325 373 M C -1.737 174.538 176.300 -0.042 0.000 1.061 373 M CA -0.761 54.633 55.300 0.158 0.000 0.957 373 M CB 1.666 34.411 32.600 0.241 0.000 1.646 373 M HN 0.359 nan 8.290 nan 0.000 0.434 374 V N 6.220 125.939 119.914 -0.325 0.000 2.540 374 V HA 0.477 4.630 4.120 0.054 0.000 0.302 374 V C -0.581 175.388 176.094 -0.208 0.000 1.035 374 V CA -0.724 61.408 62.300 -0.280 0.000 0.873 374 V CB 1.845 33.386 31.823 -0.469 0.000 0.992 374 V HN 0.810 nan 8.190 nan 0.000 0.428 375 L N 5.374 126.563 121.223 -0.057 0.000 2.280 375 L HA 0.532 4.904 4.340 0.054 0.000 0.287 375 L C 0.350 177.165 176.870 -0.091 0.000 1.023 375 L CA -0.331 54.484 54.840 -0.042 0.000 0.819 375 L CB 1.270 43.347 42.059 0.030 0.000 1.212 375 L HN 0.874 nan 8.230 nan 0.000 0.420 376 N N 1.769 120.337 118.700 -0.219 0.000 2.143 376 N HA 0.127 4.900 4.740 0.054 0.000 0.229 376 N C -0.028 175.345 175.510 -0.229 0.000 1.294 376 N CA -0.384 52.326 53.050 -0.567 0.000 0.883 376 N CB 0.780 38.606 38.487 -1.101 0.000 1.148 376 N HN 0.375 nan 8.380 nan 0.000 0.511 377 R N 0.658 121.112 120.500 -0.077 0.000 2.515 377 R HA 0.332 4.705 4.340 0.054 0.000 0.278 377 R C -1.183 175.082 176.300 -0.058 0.000 1.107 377 R CA -0.437 55.629 56.100 -0.056 0.000 0.945 377 R CB 1.461 31.738 30.300 -0.039 0.000 1.219 377 R HN 0.112 nan 8.270 nan 0.000 0.434 378 N N 3.096 121.645 118.700 -0.252 0.000 2.424 378 N HA 0.313 5.085 4.740 0.054 0.000 0.257 378 N C -2.164 173.296 175.510 -0.083 0.000 1.250 378 N CA -1.170 51.592 53.050 -0.481 0.000 0.946 378 N CB 0.438 38.000 38.487 -1.542 0.000 1.175 378 N HN 0.268 nan 8.380 nan 0.000 0.477 379 P HA 0.112 nan 4.420 nan 0.000 0.273 379 P C 0.079 177.568 177.300 0.314 0.000 1.250 379 P CA -0.104 63.190 63.100 0.322 0.000 0.793 379 P CB 1.042 32.977 31.700 0.392 0.000 1.011 380 D N -1.046 119.511 120.400 0.261 0.000 2.201 380 D HA -0.018 4.654 4.640 0.054 0.000 0.209 380 D C 0.473 176.947 176.300 0.291 0.000 0.961 380 D CA 1.363 55.512 54.000 0.249 0.000 0.861 380 D CB 0.190 41.077 40.800 0.144 0.000 0.997 380 D HN 0.393 nan 8.370 nan 0.000 0.486 381 N N -0.227 118.638 118.700 0.275 0.000 2.461 381 N HA 0.013 4.785 4.740 0.054 0.000 0.284 381 N C 0.019 175.739 175.510 0.350 0.000 1.049 381 N CA -0.321 52.905 53.050 0.293 0.000 0.889 381 N CB 1.503 40.130 38.487 0.234 0.000 1.365 381 N HN -0.154 nan 8.380 nan 0.000 0.499 382 F N 4.284 124.386 119.950 0.253 0.000 2.095 382 F HA -0.180 4.378 4.527 0.052 0.000 0.298 382 F C 1.659 177.595 175.800 0.228 0.000 1.104 382 F CA 1.504 59.656 58.000 0.253 0.000 1.232 382 F CB -0.068 39.056 39.000 0.206 0.000 0.987 382 F HN 0.599 nan 8.300 nan 0.000 0.475 383 F N 0.835 121.041 119.950 0.427 0.000 2.102 383 F HA -0.117 4.451 4.527 0.068 0.000 0.298 383 F C 2.277 178.146 175.800 0.115 0.000 1.105 383 F CA 1.682 59.850 58.000 0.280 0.000 1.239 383 F CB -0.863 38.267 39.000 0.217 0.000 0.991 383 F HN -0.014 nan 8.300 nan 0.000 0.474 384 A N -0.405 122.554 122.820 0.232 0.000 1.930 384 A HA -0.127 4.226 4.320 0.054 0.000 0.217 384 A C 2.068 179.592 177.584 -0.100 0.000 1.175 384 A CA 1.917 53.999 52.037 0.075 0.000 0.627 384 A CB -0.586 18.518 19.000 0.173 0.000 0.815 384 A HN 0.587 nan 8.150 nan 0.000 0.443 385 E N -1.408 118.749 120.200 -0.073 0.000 2.206 385 E HA -0.051 4.332 4.350 0.054 0.000 0.195 385 E C 1.887 178.401 176.600 -0.143 0.000 0.935 385 E CA 0.336 56.626 56.400 -0.184 0.000 0.875 385 E CB -0.088 29.560 29.700 -0.086 0.000 0.841 385 E HN 0.545 nan 8.360 nan 0.000 0.477 386 N N 1.516 120.129 118.700 -0.145 0.000 2.124 386 N HA -0.170 4.602 4.740 0.054 0.000 0.188 386 N C 1.826 177.174 175.510 -0.269 0.000 1.045 386 N CA 1.464 54.363 53.050 -0.252 0.000 0.846 386 N CB 0.014 37.979 38.487 -0.869 0.000 1.020 386 N HN -0.063 nan 8.380 nan 0.000 0.432 387 E N 0.749 120.731 120.200 -0.363 0.000 2.118 387 E HA -0.110 4.272 4.350 0.054 0.000 0.195 387 E C 1.693 178.115 176.600 -0.296 0.000 0.992 387 E CA 1.491 57.746 56.400 -0.241 0.000 0.804 387 E CB -0.174 29.405 29.700 -0.202 0.000 0.741 387 E HN 0.500 nan 8.360 nan 0.000 0.458 388 Q N -0.354 119.198 119.800 -0.413 0.000 2.444 388 Q HA 0.229 4.601 4.340 0.054 0.000 0.206 388 Q C -0.030 175.850 176.000 -0.199 0.000 0.948 388 Q CA 0.229 55.835 55.803 -0.328 0.000 0.946 388 Q CB 0.458 28.981 28.738 -0.358 0.000 1.027 388 Q HN 0.223 nan 8.270 nan 0.000 0.513 389 A N 1.077 123.799 122.820 -0.164 0.000 2.462 389 A HA 0.506 4.859 4.320 0.054 0.000 0.243 389 A C -0.222 177.254 177.584 -0.181 0.000 1.076 389 A CA 0.052 51.965 52.037 -0.207 0.000 0.773 389 A CB 0.343 19.278 19.000 -0.108 0.000 1.010 389 A HN 0.255 nan 8.150 nan 0.000 0.493 390 A N 2.237 124.897 122.820 -0.266 0.000 2.311 390 A HA 0.706 5.058 4.320 0.054 0.000 0.306 390 A C -0.784 176.690 177.584 -0.183 0.000 1.189 390 A CA -0.418 51.539 52.037 -0.133 0.000 0.791 390 A CB 0.293 19.223 19.000 -0.117 0.000 1.172 390 A HN 0.640 nan 8.150 nan 0.000 0.481 391 F N 0.942 120.908 119.950 0.027 0.000 2.458 391 F HA 0.686 5.245 4.527 0.053 0.000 0.330 391 F C 0.369 176.157 175.800 -0.020 0.000 1.082 391 F CA -0.075 57.917 58.000 -0.013 0.000 0.995 391 F CB 1.945 40.878 39.000 -0.111 0.000 1.170 391 F HN 0.762 nan 8.300 nan 0.000 0.478 392 H N 2.677 121.624 119.070 -0.205 0.000 3.129 392 H HA 0.256 4.844 4.556 0.054 0.000 0.342 392 H C -2.549 172.399 175.328 -0.634 0.000 1.092 392 H CA -1.587 54.096 56.048 -0.610 0.000 1.310 392 H CB 2.702 32.041 29.762 -0.705 0.000 1.932 392 H HN 0.196 nan 8.280 nan 0.000 0.507 393 P HA 0.031 nan 4.420 nan 0.000 0.233 393 P C 1.113 178.289 177.300 -0.206 0.000 1.167 393 P CA 1.167 63.947 63.100 -0.533 0.000 0.770 393 P CB 0.186 31.605 31.700 -0.469 0.000 0.837 394 G N -0.566 107.927 108.800 -0.512 0.000 2.509 394 G HA2 -0.174 3.818 3.960 0.054 0.000 0.218 394 G HA3 -0.174 3.818 3.960 0.054 0.000 0.218 394 G C 0.578 175.719 174.900 0.401 0.000 1.124 394 G CA 0.047 45.243 45.100 0.160 0.000 0.776 394 G HN 0.448 nan 8.290 nan 0.000 0.547 395 H N 0.822 120.027 119.070 0.225 0.000 3.392 395 H HA 0.293 4.881 4.556 0.053 0.000 0.253 395 H C 0.648 176.088 175.328 0.187 0.000 1.682 395 H CA -0.775 55.366 56.048 0.155 0.000 1.535 395 H CB -0.306 29.509 29.762 0.089 0.000 1.823 395 H HN 0.407 nan 8.280 nan 0.000 0.576 396 I N -0.696 120.013 120.570 0.233 0.000 3.076 396 I HA 0.654 4.856 4.170 0.054 0.000 0.313 396 I C -0.062 176.048 176.117 -0.012 0.000 1.053 396 I CA -1.351 60.002 61.300 0.088 0.000 1.048 396 I CB 1.793 39.734 38.000 -0.099 0.000 1.264 396 I HN 0.067 nan 8.210 nan 0.000 0.498 397 V N -1.993 117.886 119.914 -0.058 0.000 3.102 397 V HA 0.668 4.820 4.120 0.054 0.000 0.312 397 V C -2.819 173.362 176.094 0.145 0.000 1.135 397 V CA -2.561 59.767 62.300 0.046 0.000 1.022 397 V CB 0.955 32.785 31.823 0.012 0.000 1.056 397 V HN 0.643 nan 8.190 nan 0.000 0.436 398 P HA 0.327 nan 4.420 nan 0.000 0.264 398 P C 0.936 178.228 177.300 -0.013 0.000 1.183 398 P CA 2.041 65.202 63.100 0.102 0.000 0.763 398 P CB 0.574 32.312 31.700 0.063 0.000 0.807 399 G N 1.507 110.254 108.800 -0.088 0.000 2.213 399 G HA2 -0.163 3.829 3.960 0.054 0.000 0.226 399 G HA3 -0.163 3.829 3.960 0.054 0.000 0.226 399 G C -0.263 174.545 174.900 -0.153 0.000 0.992 399 G CA -0.391 44.638 45.100 -0.119 0.000 0.632 399 G HN 0.456 nan 8.290 nan 0.000 0.511 400 L N 0.032 121.174 121.223 -0.135 0.000 2.323 400 L HA 0.909 5.282 4.340 0.054 0.000 0.265 400 L C -0.570 176.235 176.870 -0.108 0.000 1.012 400 L CA -1.060 53.681 54.840 -0.165 0.000 0.820 400 L CB 2.122 44.008 42.059 -0.290 0.000 1.334 400 L HN 0.100 nan 8.230 nan 0.000 0.427 401 D N -0.486 119.837 120.400 -0.129 0.000 2.665 401 D HA 0.465 5.138 4.640 0.054 0.000 0.287 401 D C -1.188 175.029 176.300 -0.138 0.000 1.266 401 D CA -0.354 53.523 54.000 -0.205 0.000 0.830 401 D CB 1.941 42.703 40.800 -0.064 0.000 1.356 401 D HN 0.125 nan 8.370 nan 0.000 0.437 402 F N -0.220 119.846 119.950 0.194 0.000 2.291 402 F HA 0.513 5.072 4.527 0.054 0.000 0.305 402 F C 1.532 177.342 175.800 0.016 0.000 1.171 402 F CA -0.212 57.821 58.000 0.054 0.000 1.090 402 F CB 1.072 40.077 39.000 0.009 0.000 1.436 402 F HN 0.234 nan 8.300 nan 0.000 0.509 403 T N -3.280 111.365 114.554 0.151 0.000 2.693 403 T HA 0.308 4.690 4.350 0.054 0.000 0.278 403 T C -0.151 174.588 174.700 0.064 0.000 0.994 403 T CA -0.984 61.198 62.100 0.136 0.000 1.033 403 T CB 1.114 70.048 68.868 0.110 0.000 1.342 403 T HN 0.343 nan 8.240 nan 0.000 0.538 404 N N 1.330 120.075 118.700 0.075 0.000 2.362 404 N HA 0.086 4.858 4.740 0.054 0.000 0.204 404 N C -0.090 175.434 175.510 0.023 0.000 1.166 404 N CA -0.011 53.064 53.050 0.041 0.000 0.831 404 N CB -0.356 38.172 38.487 0.069 0.000 1.008 404 N HN 0.673 nan 8.380 nan 0.000 0.472 405 D N 2.218 122.615 120.400 -0.006 0.000 2.581 405 D HA -0.069 4.604 4.640 0.054 0.000 0.238 405 D C -1.454 174.849 176.300 0.005 0.000 1.145 405 D CA -0.856 53.165 54.000 0.035 0.000 0.866 405 D CB 1.340 42.107 40.800 -0.055 0.000 1.151 405 D HN 0.152 nan 8.370 nan 0.000 0.500 406 P HA -0.050 nan 4.420 nan 0.000 0.245 406 P C 1.433 178.759 177.300 0.043 0.000 1.206 406 P CA -0.019 63.106 63.100 0.041 0.000 0.781 406 P CB 0.484 32.206 31.700 0.035 0.000 0.994 407 L N -0.151 121.118 121.223 0.077 0.000 2.102 407 L HA 0.028 4.400 4.340 0.054 0.000 0.202 407 L C 2.350 179.155 176.870 -0.109 0.000 1.076 407 L CA 1.153 56.029 54.840 0.061 0.000 0.761 407 L CB -1.533 40.645 42.059 0.198 0.000 0.921 407 L HN -0.184 nan 8.230 nan 0.000 0.444 408 L N -0.323 120.677 121.223 -0.372 0.000 2.013 408 L HA -0.275 4.097 4.340 0.054 0.000 0.212 408 L C 2.492 179.117 176.870 -0.409 0.000 1.073 408 L CA 1.883 56.297 54.840 -0.710 0.000 0.753 408 L CB -0.911 40.483 42.059 -1.107 0.000 0.890 408 L HN 0.401 nan 8.230 nan 0.000 0.432 409 Q N -0.436 119.194 119.800 -0.283 0.000 2.112 409 Q HA -0.165 4.207 4.340 0.054 0.000 0.206 409 Q C 2.079 178.000 176.000 -0.132 0.000 0.987 409 Q CA 1.801 57.477 55.803 -0.211 0.000 0.858 409 Q CB -0.706 27.962 28.738 -0.118 0.000 0.905 409 Q HN 0.715 nan 8.270 nan 0.000 0.420 410 G N 0.229 108.983 108.800 -0.077 0.000 2.453 410 G HA2 -0.175 3.817 3.960 0.054 0.000 0.215 410 G HA3 -0.175 3.817 3.960 0.054 0.000 0.215 410 G C 1.496 176.419 174.900 0.038 0.000 1.147 410 G CA 0.059 45.163 45.100 0.007 0.000 0.802 410 G HN 0.238 nan 8.290 nan 0.000 0.535 411 R N -0.009 120.462 120.500 -0.049 0.000 2.103 411 R HA -0.049 4.323 4.340 0.054 0.000 0.242 411 R C 2.501 178.894 176.300 0.155 0.000 1.142 411 R CA 1.122 57.254 56.100 0.054 0.000 0.960 411 R CB -0.537 29.749 30.300 -0.024 0.000 0.858 411 R HN 0.334 nan 8.270 nan 0.000 0.439 412 L N -0.467 120.741 121.223 -0.025 0.000 2.081 412 L HA -0.234 4.138 4.340 0.054 0.000 0.212 412 L C 2.352 179.361 176.870 0.231 0.000 1.080 412 L CA 1.318 56.169 54.840 0.017 0.000 0.754 412 L CB -0.521 41.388 42.059 -0.250 0.000 0.893 412 L HN 0.173 nan 8.230 nan 0.000 0.433 413 F N 0.233 120.217 119.950 0.055 0.000 2.113 413 F HA -0.224 4.336 4.527 0.055 0.000 0.297 413 F C 2.840 178.675 175.800 0.057 0.000 1.103 413 F CA 1.742 59.765 58.000 0.040 0.000 1.248 413 F CB -0.290 38.716 39.000 0.009 0.000 0.999 413 F HN -0.039 nan 8.300 nan 0.000 0.475 414 S N -0.868 114.846 115.700 0.023 0.000 2.368 414 S HA -0.208 4.295 4.470 0.054 0.000 0.224 414 S C 2.041 176.509 174.600 -0.220 0.000 1.029 414 S CA 1.345 59.442 58.200 -0.171 0.000 0.988 414 S CB -0.800 62.315 63.200 -0.142 0.000 0.838 414 S HN 0.534 nan 8.310 nan 0.000 0.462 415 Y N 1.420 121.720 120.300 0.001 0.000 2.439 415 Y HA -0.008 4.574 4.550 0.054 0.000 0.292 415 Y C 2.818 178.388 175.900 -0.549 0.000 1.130 415 Y CA 1.235 59.359 58.100 0.040 0.000 1.254 415 Y CB -0.401 39.117 38.460 1.763 0.000 1.000 415 Y HN 0.289 nan 8.280 nan 0.000 0.554 416 T N -0.976 113.193 114.554 -0.642 0.000 2.852 416 T HA -0.141 4.241 4.350 0.054 0.000 0.256 416 T C 1.390 175.878 174.700 -0.353 0.000 1.038 416 T CA 1.308 63.133 62.100 -0.458 0.000 1.141 416 T CB -0.353 68.317 68.868 -0.330 0.000 0.869 416 T HN 0.302 nan 8.240 nan 0.000 0.439 417 D N 1.071 121.198 120.400 -0.454 0.000 2.106 417 D HA -0.154 4.519 4.640 0.054 0.000 0.191 417 D C 2.222 178.359 176.300 -0.272 0.000 0.997 417 D CA 1.768 55.522 54.000 -0.411 0.000 0.834 417 D CB -0.508 39.857 40.800 -0.726 0.000 0.956 417 D HN 0.242 nan 8.370 nan 0.000 0.448 418 T N -1.096 113.289 114.554 -0.282 0.000 2.849 418 T HA -0.140 4.242 4.350 0.054 0.000 0.270 418 T C 1.558 176.131 174.700 -0.213 0.000 1.066 418 T CA 1.158 63.135 62.100 -0.206 0.000 1.130 418 T CB -0.221 68.525 68.868 -0.203 0.000 0.864 418 T HN 0.160 nan 8.240 nan 0.000 0.481 419 Q N 0.470 120.073 119.800 -0.328 0.000 2.369 419 Q HA 0.064 4.436 4.340 0.054 0.000 0.206 419 Q C 2.174 178.055 176.000 -0.198 0.000 0.963 419 Q CA 0.510 56.069 55.803 -0.407 0.000 0.894 419 Q CB -0.325 27.785 28.738 -1.047 0.000 0.965 419 Q HN 0.513 nan 8.270 nan 0.000 0.475 420 I N 0.943 121.447 120.570 -0.110 0.000 2.394 420 I HA -0.196 4.007 4.170 0.054 0.000 0.251 420 I C 2.299 178.412 176.117 -0.006 0.000 1.136 420 I CA 1.542 62.838 61.300 -0.007 0.000 1.425 420 I CB -1.265 36.737 38.000 0.003 0.000 1.079 420 I HN 0.182 nan 8.210 nan 0.000 0.425 421 S N 0.579 116.261 115.700 -0.030 0.000 2.371 421 S HA -0.095 4.408 4.470 0.054 0.000 0.219 421 S C 2.201 176.790 174.600 -0.018 0.000 1.040 421 S CA 0.279 58.472 58.200 -0.012 0.000 0.958 421 S CB -0.453 62.743 63.200 -0.007 0.000 0.860 421 S HN 0.283 nan 8.310 nan 0.000 0.487 422 R N 0.856 121.328 120.500 -0.048 0.000 2.091 422 R HA 0.113 4.486 4.340 0.054 0.000 0.238 422 R C 1.326 177.606 176.300 -0.034 0.000 1.136 422 R CA 1.560 57.634 56.100 -0.043 0.000 0.959 422 R CB -0.269 29.983 30.300 -0.080 0.000 0.856 422 R HN 0.472 nan 8.270 nan 0.000 0.437 423 L N -0.933 120.260 121.223 -0.050 0.000 2.910 423 L HA 0.325 4.698 4.340 0.054 0.000 0.252 423 L C 0.770 177.658 176.870 0.031 0.000 1.195 423 L CA 0.268 55.099 54.840 -0.015 0.000 1.003 423 L CB 1.232 43.273 42.059 -0.029 0.000 1.328 423 L HN 0.571 nan 8.230 nan 0.000 0.540 424 G N -0.051 108.766 108.800 0.029 0.000 2.179 424 G HA2 -0.124 3.869 3.960 0.054 0.000 0.260 424 G HA3 -0.124 3.869 3.960 0.054 0.000 0.260 424 G C 0.462 175.402 174.900 0.067 0.000 0.977 424 G CA 0.039 45.164 45.100 0.042 0.000 0.641 424 G HN 0.800 nan 8.290 nan 0.000 0.533 425 G N -1.592 107.268 108.800 0.100 0.000 2.356 425 G HA2 0.578 4.570 3.960 0.054 0.000 0.288 425 G HA3 0.578 4.570 3.960 0.054 0.000 0.288 425 G C -2.211 172.821 174.900 0.220 0.000 1.302 425 G CA 0.391 45.566 45.100 0.125 0.000 0.887 425 G HN 0.490 nan 8.290 nan 0.000 0.521 426 P HA 0.137 nan 4.420 nan 0.000 0.255 426 P C 0.331 177.661 177.300 0.049 0.000 1.248 426 P CA 0.302 63.506 63.100 0.173 0.000 0.807 426 P CB 0.216 31.977 31.700 0.102 0.000 1.150 427 N N 0.483 119.214 118.700 0.052 0.000 2.346 427 N HA 0.047 4.819 4.740 0.054 0.000 0.225 427 N C 1.083 176.472 175.510 -0.201 0.000 1.144 427 N CA -0.104 52.889 53.050 -0.095 0.000 0.837 427 N CB -0.679 37.773 38.487 -0.057 0.000 1.069 427 N HN 0.282 nan 8.380 nan 0.000 0.487 428 F N 0.859 120.809 119.950 -0.001 0.000 2.333 428 F HA -0.080 4.478 4.527 0.053 0.000 0.300 428 F C 2.217 177.963 175.800 -0.089 0.000 1.083 428 F CA 0.799 58.767 58.000 -0.053 0.000 1.395 428 F CB -0.794 38.188 39.000 -0.029 0.000 1.056 428 F HN 0.166 nan 8.300 nan 0.000 0.529 429 H N 0.409 119.113 119.070 -0.610 0.000 2.546 429 H HA 0.069 4.658 4.556 0.055 0.000 0.277 429 H C 0.851 176.019 175.328 -0.266 0.000 1.004 429 H CA 1.281 57.072 56.048 -0.429 0.000 1.231 429 H CB -0.795 28.603 29.762 -0.606 0.000 1.382 429 H HN 0.533 nan 8.280 nan 0.000 0.580 430 E N 0.895 120.678 120.200 -0.695 0.000 2.478 430 E HA 0.176 4.559 4.350 0.054 0.000 0.194 430 E C 0.368 176.856 176.600 -0.186 0.000 1.045 430 E CA -0.267 55.895 56.400 -0.397 0.000 0.868 430 E CB 0.541 30.021 29.700 -0.366 0.000 0.885 430 E HN 0.429 nan 8.360 nan 0.000 0.505 431 I N 2.674 123.151 120.570 -0.155 0.000 2.618 431 I HA -0.046 4.156 4.170 0.054 0.000 0.284 431 I C -1.544 174.512 176.117 -0.102 0.000 1.146 431 I CA -1.484 59.755 61.300 -0.102 0.000 1.425 431 I CB 0.679 38.632 38.000 -0.079 0.000 1.383 431 I HN -0.192 nan 8.210 nan 0.000 0.562 432 P HA -0.235 nan 4.420 nan 0.000 0.216 432 P C 1.693 178.918 177.300 -0.124 0.000 1.157 432 P CA 1.256 64.302 63.100 -0.090 0.000 0.880 432 P CB 0.178 31.834 31.700 -0.073 0.000 0.791 433 I N -0.883 119.586 120.570 -0.168 0.000 2.567 433 I HA -0.155 4.047 4.170 0.054 0.000 0.257 433 I C 1.253 177.289 176.117 -0.136 0.000 1.184 433 I CA 1.616 62.769 61.300 -0.244 0.000 1.451 433 I CB -0.628 37.122 38.000 -0.416 0.000 1.089 433 I HN -0.124 nan 8.210 nan 0.000 0.441 434 N N 0.702 119.333 118.700 -0.114 0.000 2.412 434 N HA 0.060 4.832 4.740 0.054 0.000 0.184 434 N C 0.199 175.681 175.510 -0.046 0.000 1.101 434 N CA 0.158 53.163 53.050 -0.076 0.000 0.881 434 N CB -0.064 38.398 38.487 -0.043 0.000 0.969 434 N HN 0.359 nan 8.380 nan 0.000 0.459 435 R N 1.713 122.181 120.500 -0.052 0.000 2.522 435 R HA 0.126 4.499 4.340 0.054 0.000 0.284 435 R C -2.198 174.101 176.300 -0.001 0.000 1.032 435 R CA -1.147 54.898 56.100 -0.091 0.000 1.049 435 R CB -0.101 30.184 30.300 -0.026 0.000 0.956 435 R HN 0.042 nan 8.270 nan 0.000 0.422 436 P HA -0.032 nan 4.420 nan 0.000 0.269 436 P C 0.634 178.022 177.300 0.145 0.000 1.215 436 P CA 0.023 63.145 63.100 0.038 0.000 0.780 436 P CB 0.636 32.281 31.700 -0.091 0.000 0.898 437 T N -1.973 112.687 114.554 0.178 0.000 3.054 437 T HA 0.235 4.617 4.350 0.054 0.000 0.259 437 T C 0.935 175.719 174.700 0.141 0.000 1.092 437 T CA 0.107 62.280 62.100 0.123 0.000 1.121 437 T CB -0.363 68.555 68.868 0.083 0.000 0.912 437 T HN 0.469 nan 8.240 nan 0.000 0.489 438 A N 2.988 125.904 122.820 0.159 0.000 2.425 438 A HA 0.545 4.897 4.320 0.054 0.000 0.242 438 A C -2.267 175.439 177.584 0.205 0.000 1.077 438 A CA -1.395 50.733 52.037 0.152 0.000 0.781 438 A CB -0.389 18.691 19.000 0.133 0.000 1.020 438 A HN 0.265 nan 8.150 nan 0.000 0.494 439 P HA 0.281 nan 4.420 nan 0.000 0.266 439 P C -1.234 176.187 177.300 0.202 0.000 1.195 439 P CA 0.777 63.965 63.100 0.147 0.000 0.768 439 P CB 0.031 31.845 31.700 0.190 0.000 0.838 440 Y N -0.394 119.805 120.300 -0.168 0.000 2.396 440 Y HA 0.733 5.315 4.550 0.053 0.000 0.332 440 Y C -0.856 174.738 175.900 -0.510 0.000 1.034 440 Y CA -1.216 56.769 58.100 -0.192 0.000 1.057 440 Y CB 1.083 39.449 38.460 -0.156 0.000 1.220 440 Y HN 0.384 nan 8.280 nan 0.000 0.440 441 H N 2.493 121.550 119.070 -0.021 0.000 2.947 441 H HA 0.621 5.210 4.556 0.055 0.000 0.354 441 H C -1.056 174.181 175.328 -0.151 0.000 1.085 441 H CA -0.852 55.119 56.048 -0.127 0.000 1.253 441 H CB 1.775 31.448 29.762 -0.148 0.000 1.757 441 H HN 0.880 nan 8.280 nan 0.000 0.523 442 N N 0.425 119.035 118.700 -0.150 0.000 3.441 442 N HA 0.155 4.927 4.740 0.054 0.000 0.313 442 N C -1.220 174.064 175.510 -0.377 0.000 1.526 442 N CA -0.906 51.982 53.050 -0.270 0.000 0.871 442 N CB 0.556 39.016 38.487 -0.045 0.000 1.779 442 N HN 0.301 nan 8.380 nan 0.000 0.529 443 F N -0.282 119.699 119.950 0.052 0.000 2.664 443 F HA 0.360 4.919 4.527 0.054 0.000 0.303 443 F C 0.499 176.331 175.800 0.053 0.000 1.092 443 F CA -0.326 57.703 58.000 0.048 0.000 1.305 443 F CB 0.231 39.255 39.000 0.041 0.000 1.054 443 F HN 0.140 nan 8.300 nan 0.000 0.565 444 Q N 1.626 121.517 119.800 0.151 0.000 2.352 444 Q HA 0.399 4.771 4.340 0.054 0.000 0.260 444 Q C 0.011 176.069 176.000 0.096 0.000 0.976 444 Q CA 0.017 55.886 55.803 0.110 0.000 0.881 444 Q CB 0.984 29.757 28.738 0.058 0.000 1.235 444 Q HN 0.089 nan 8.270 nan 0.000 0.419 445 R N 1.718 122.273 120.500 0.093 0.000 2.774 445 R HA 0.347 4.719 4.340 0.054 0.000 0.272 445 R C -0.751 175.590 176.300 0.068 0.000 1.000 445 R CA -0.618 55.531 56.100 0.081 0.000 0.906 445 R CB 1.386 31.739 30.300 0.089 0.000 1.227 445 R HN 0.733 nan 8.270 nan 0.000 0.468 446 D N -0.152 120.282 120.400 0.056 0.000 3.455 446 D HA -0.160 4.513 4.640 0.054 0.000 0.216 446 D C 0.325 176.655 176.300 0.050 0.000 1.510 446 D CA 1.875 55.903 54.000 0.046 0.000 1.128 446 D CB -1.076 39.751 40.800 0.045 0.000 0.680 446 D HN 0.913 nan 8.370 nan 0.000 0.828 447 G N -1.238 107.591 108.800 0.049 0.000 2.712 447 G HA2 0.197 4.190 3.960 0.054 0.000 0.686 447 G HA3 0.197 4.190 3.960 0.054 0.000 0.686 447 G C -0.291 174.643 174.900 0.057 0.000 1.321 447 G CA 0.056 45.190 45.100 0.056 0.000 0.813 447 G HN 0.770 nan 8.290 nan 0.000 0.599 448 M N 1.329 120.970 119.600 0.067 0.000 2.251 448 M HA 0.446 4.959 4.480 0.054 0.000 0.343 448 M C 1.101 177.483 176.300 0.136 0.000 1.245 448 M CA 1.240 56.589 55.300 0.083 0.000 1.061 448 M CB -0.630 32.020 32.600 0.083 0.000 1.723 448 M HN 1.640 nan 8.290 nan 0.000 0.449 449 H N 1.154 120.229 119.070 0.009 0.000 2.604 449 H HA -0.197 4.390 4.556 0.051 0.000 0.321 449 H C -0.645 174.676 175.328 -0.012 0.000 1.132 449 H CA 0.636 56.685 56.048 0.002 0.000 1.129 449 H CB -0.594 29.172 29.762 0.007 0.000 1.526 449 H HN 0.655 nan 8.280 nan 0.000 0.415 450 R N 1.528 122.050 120.500 0.036 0.000 2.484 450 R HA 0.030 4.402 4.340 0.054 0.000 0.293 450 R C 0.934 177.226 176.300 -0.014 0.000 1.023 450 R CA 0.232 56.343 56.100 0.017 0.000 1.037 450 R CB 0.275 30.579 30.300 0.008 0.000 0.951 450 R HN 0.453 nan 8.270 nan 0.000 0.418 451 M N 2.633 122.238 119.600 0.008 0.000 2.412 451 M HA 0.219 4.731 4.480 0.054 0.000 0.263 451 M C 0.945 177.235 176.300 -0.016 0.000 1.122 451 M CA 1.044 56.344 55.300 -0.000 0.000 1.179 451 M CB -0.849 31.763 32.600 0.021 0.000 1.335 451 M HN 0.706 nan 8.290 nan 0.000 0.465 452 G N 2.080 110.872 108.800 -0.014 0.000 2.343 452 G HA2 0.384 4.376 3.960 0.054 0.000 0.254 452 G HA3 0.384 4.376 3.960 0.054 0.000 0.254 452 G C -0.334 174.556 174.900 -0.017 0.000 1.277 452 G CA -0.354 44.734 45.100 -0.021 0.000 0.909 452 G HN 0.320 nan 8.290 nan 0.000 0.502 453 I N 2.920 123.476 120.570 -0.024 0.000 2.307 453 I HA 0.113 4.316 4.170 0.054 0.000 0.287 453 I C -0.319 175.789 176.117 -0.015 0.000 1.054 453 I CA -0.540 60.750 61.300 -0.016 0.000 1.218 453 I CB 0.987 38.976 38.000 -0.018 0.000 1.398 453 I HN 0.338 nan 8.210 nan 0.000 0.475 454 D N 4.787 125.185 120.400 -0.004 0.000 2.308 454 D HA 0.093 4.766 4.640 0.054 0.000 0.251 454 D C 1.176 177.481 176.300 0.008 0.000 1.127 454 D CA 0.174 54.173 54.000 -0.001 0.000 0.876 454 D CB 1.969 42.776 40.800 0.013 0.000 1.176 454 D HN 0.566 nan 8.370 nan 0.000 0.446 455 T N -0.784 113.772 114.554 0.003 0.000 3.040 455 T HA -0.047 4.336 4.350 0.054 0.000 0.250 455 T C 0.824 175.535 174.700 0.019 0.000 1.058 455 T CA -0.519 61.585 62.100 0.007 0.000 0.988 455 T CB 0.167 69.032 68.868 -0.006 0.000 0.993 455 T HN 0.110 nan 8.240 nan 0.000 0.519 456 N N 3.239 121.953 118.700 0.024 0.000 2.447 456 N HA 0.112 4.885 4.740 0.054 0.000 0.263 456 N C -1.730 173.822 175.510 0.070 0.000 1.226 456 N CA -1.592 51.485 53.050 0.045 0.000 0.906 456 N CB 1.470 39.985 38.487 0.047 0.000 1.060 456 N HN 0.042 nan 8.380 nan 0.000 0.468 457 P HA -0.014 nan 4.420 nan 0.000 0.221 457 P C -0.587 176.777 177.300 0.106 0.000 1.145 457 P CA 0.902 64.050 63.100 0.081 0.000 0.795 457 P CB 0.219 31.962 31.700 0.072 0.000 0.775 458 A N 0.644 123.519 122.820 0.092 0.000 2.312 458 A HA 0.429 4.781 4.320 0.054 0.000 0.328 458 A C 0.414 178.110 177.584 0.187 0.000 1.158 458 A CA -0.661 51.390 52.037 0.023 0.000 0.821 458 A CB 0.123 18.969 19.000 -0.257 0.000 1.170 458 A HN 0.261 nan 8.150 nan 0.000 0.490 459 N N -0.024 118.822 118.700 0.242 0.000 2.416 459 N HA 0.386 5.159 4.740 0.054 0.000 0.267 459 N C -0.933 174.751 175.510 0.289 0.000 1.294 459 N CA -0.374 52.898 53.050 0.371 0.000 0.891 459 N CB 0.321 38.975 38.487 0.278 0.000 1.238 459 N HN 0.685 nan 8.380 nan 0.000 0.508 460 Y N -1.276 118.909 120.300 -0.191 0.000 2.638 460 Y HA 0.667 5.249 4.550 0.054 0.000 0.335 460 Y C -1.497 173.767 175.900 -1.060 0.000 1.155 460 Y CA -1.388 56.404 58.100 -0.513 0.000 1.046 460 Y CB 0.932 39.257 38.460 -0.224 0.000 1.303 460 Y HN 0.078 nan 8.280 nan 0.000 0.460 461 E N 0.499 120.183 120.200 -0.860 0.000 2.383 461 E HA 0.648 5.030 4.350 0.054 0.000 0.275 461 E C -3.173 173.311 176.600 -0.192 0.000 0.918 461 E CA -2.071 53.951 56.400 -0.629 0.000 0.764 461 E CB 1.571 30.849 29.700 -0.703 0.000 1.252 461 E HN 0.564 nan 8.360 nan 0.000 0.449 462 P HA 0.258 nan 4.420 nan 0.000 0.275 462 P C -1.255 175.998 177.300 -0.079 0.000 1.227 462 P CA -0.367 62.664 63.100 -0.115 0.000 0.781 462 P CB 0.442 32.110 31.700 -0.053 0.000 0.906 463 N N -1.232 117.351 118.700 -0.195 0.000 2.262 463 N HA 0.355 5.128 4.740 0.054 0.000 0.295 463 N C 0.333 175.802 175.510 -0.069 0.000 1.161 463 N CA -0.762 52.191 53.050 -0.161 0.000 0.767 463 N CB 1.454 39.561 38.487 -0.632 0.000 1.499 463 N HN 0.190 nan 8.380 nan 0.000 0.476 464 S N 0.462 116.168 115.700 0.009 0.000 2.497 464 S HA 0.001 4.504 4.470 0.054 0.000 0.218 464 S C 1.516 176.133 174.600 0.028 0.000 1.023 464 S CA 0.008 58.214 58.200 0.011 0.000 0.913 464 S CB -0.771 62.446 63.200 0.028 0.000 0.800 464 S HN 0.709 nan 8.310 nan 0.000 0.505 465 I N -0.864 119.731 120.570 0.042 0.000 3.111 465 I HA 0.268 4.471 4.170 0.054 0.000 0.272 465 I C 1.155 177.308 176.117 0.060 0.000 1.268 465 I CA 1.007 62.344 61.300 0.061 0.000 1.467 465 I CB -0.388 37.668 38.000 0.093 0.000 1.087 465 I HN 0.165 nan 8.210 nan 0.000 0.467 466 N N 1.312 120.046 118.700 0.057 0.000 2.365 466 N HA 0.048 4.820 4.740 0.054 0.000 0.257 466 N C -0.062 175.559 175.510 0.185 0.000 1.287 466 N CA -0.078 53.046 53.050 0.124 0.000 0.882 466 N CB -0.028 38.546 38.487 0.145 0.000 1.250 466 N HN 0.171 nan 8.380 nan 0.000 0.507 467 D N 0.748 121.206 120.400 0.097 0.000 2.811 467 D HA -0.266 4.407 4.640 0.054 0.000 0.231 467 D C -0.081 176.113 176.300 -0.178 0.000 1.157 467 D CA 1.144 55.161 54.000 0.029 0.000 0.716 467 D CB -1.281 39.616 40.800 0.162 0.000 1.077 467 D HN 0.520 nan 8.370 nan 0.000 0.428 468 N N -1.750 116.882 118.700 -0.113 0.000 2.800 468 N HA -0.245 4.527 4.740 0.054 0.000 0.250 468 N C -0.861 174.578 175.510 -0.118 0.000 1.078 468 N CA 1.389 54.343 53.050 -0.160 0.000 0.804 468 N CB -1.301 37.042 38.487 -0.240 0.000 1.135 468 N HN 0.532 nan 8.380 nan 0.000 0.565 469 W N 0.883 122.237 121.300 0.091 0.000 2.381 469 W HA 0.458 5.150 4.660 0.054 0.000 0.329 469 W C -1.690 174.871 176.519 0.069 0.000 1.157 469 W CA -1.654 55.727 57.345 0.060 0.000 1.240 469 W CB 0.691 30.138 29.460 -0.022 0.000 1.199 469 W HN -0.036 nan 8.180 nan 0.000 0.579 470 P HA 0.221 nan 4.420 nan 0.000 0.278 470 P C -0.702 176.746 177.300 0.247 0.000 1.238 470 P CA -0.213 63.037 63.100 0.250 0.000 0.794 470 P CB 1.031 32.720 31.700 -0.018 0.000 0.955 471 R N 1.205 121.842 120.500 0.227 0.000 2.604 471 R HA 0.310 4.683 4.340 0.054 0.000 0.287 471 R C 0.401 176.740 176.300 0.065 0.000 0.970 471 R CA -0.794 55.304 56.100 -0.004 0.000 0.946 471 R CB 1.158 31.255 30.300 -0.339 0.000 1.127 471 R HN 0.495 nan 8.270 nan 0.000 0.473 472 E N 0.677 120.901 120.200 0.041 0.000 2.438 472 E HA 0.006 4.389 4.350 0.054 0.000 0.261 472 E C -0.515 176.108 176.600 0.039 0.000 1.103 472 E CA 0.737 57.169 56.400 0.053 0.000 0.959 472 E CB 0.618 30.338 29.700 0.032 0.000 0.958 472 E HN 0.354 nan 8.360 nan 0.000 0.447 473 T N 3.192 117.779 114.554 0.056 0.000 2.879 473 T HA 0.343 4.725 4.350 0.054 0.000 0.290 473 T C -2.433 172.291 174.700 0.040 0.000 0.993 473 T CA -1.432 60.699 62.100 0.052 0.000 0.975 473 T CB 1.584 70.495 68.868 0.072 0.000 0.981 473 T HN 0.231 nan 8.240 nan 0.000 0.439 474 P HA 0.283 nan 4.420 nan 0.000 0.272 474 P C -2.432 174.873 177.300 0.009 0.000 1.230 474 P CA -1.241 61.866 63.100 0.012 0.000 0.788 474 P CB -0.183 31.519 31.700 0.003 0.000 0.949 475 P HA 0.297 nan 4.420 nan 0.000 0.272 475 P C -0.101 177.187 177.300 -0.021 0.000 1.223 475 P CA 0.322 63.406 63.100 -0.027 0.000 0.784 475 P CB 0.688 32.350 31.700 -0.062 0.000 0.923 476 G N 0.672 109.458 108.800 -0.023 0.000 2.488 476 G HA2 0.383 4.375 3.960 0.054 0.000 0.301 476 G HA3 0.383 4.375 3.960 0.054 0.000 0.301 476 G C -2.629 172.260 174.900 -0.020 0.000 1.339 476 G CA -0.716 44.374 45.100 -0.017 0.000 0.803 476 G HN 0.097 nan 8.290 nan 0.000 0.482 477 P HA 0.127 nan 4.420 nan 0.000 0.221 477 P C 0.029 177.323 177.300 -0.010 0.000 1.150 477 P CA 1.098 64.188 63.100 -0.017 0.000 0.800 477 P CB 0.183 31.876 31.700 -0.012 0.000 0.787 478 K N -1.248 119.154 120.400 0.002 0.000 2.527 478 K HA 0.399 4.751 4.320 0.054 0.000 0.260 478 K C -0.226 176.389 176.600 0.025 0.000 0.937 478 K CA -0.936 55.359 56.287 0.014 0.000 0.826 478 K CB 2.161 34.671 32.500 0.017 0.000 1.359 478 K HN -0.368 nan 8.250 nan 0.000 0.434 479 R N -0.562 119.960 120.500 0.038 0.000 3.770 479 R HA -0.134 4.238 4.340 0.054 0.000 0.305 479 R C 0.051 176.380 176.300 0.049 0.000 1.184 479 R CA 1.042 57.172 56.100 0.050 0.000 0.823 479 R CB -2.216 28.113 30.300 0.048 0.000 1.285 479 R HN 1.032 nan 8.270 nan 0.000 0.499 480 G N -0.855 107.969 108.800 0.039 0.000 2.511 480 G HA2 0.615 4.608 3.960 0.054 0.000 0.316 480 G HA3 0.615 4.608 3.960 0.054 0.000 0.316 480 G C 0.350 175.282 174.900 0.054 0.000 1.210 480 G CA 0.082 45.203 45.100 0.035 0.000 0.969 480 G HN 0.244 nan 8.290 nan 0.000 0.492 481 G N -1.329 107.503 108.800 0.054 0.000 2.569 481 G HA2 0.404 4.396 3.960 0.054 0.000 0.249 481 G HA3 0.404 4.396 3.960 0.054 0.000 0.249 481 G C -0.665 174.286 174.900 0.085 0.000 1.216 481 G CA -0.550 44.604 45.100 0.089 0.000 0.845 481 G HN 0.451 nan 8.290 nan 0.000 0.568 482 F N 0.480 120.445 119.950 0.025 0.000 2.467 482 F HA 0.381 4.941 4.527 0.055 0.000 0.362 482 F C 0.554 176.368 175.800 0.024 0.000 1.090 482 F CA -0.155 57.855 58.000 0.018 0.000 1.202 482 F CB 0.815 39.829 39.000 0.023 0.000 1.113 482 F HN 0.456 nan 8.300 nan 0.000 0.541 483 E N 3.943 123.764 120.200 -0.632 0.000 2.272 483 E HA 0.337 4.720 4.350 0.054 0.000 0.269 483 E C -1.159 175.094 176.600 -0.578 0.000 0.877 483 E CA -0.824 55.372 56.400 -0.340 0.000 0.755 483 E CB 1.617 31.199 29.700 -0.198 0.000 1.192 483 E HN 0.604 nan 8.360 nan 0.000 0.422 484 S N 2.411 118.015 115.700 -0.160 0.000 2.564 484 S HA 0.033 4.535 4.470 0.054 0.000 0.278 484 S C -0.610 173.975 174.600 -0.025 0.000 1.333 484 S CA -0.373 57.817 58.200 -0.017 0.000 1.048 484 S CB 0.171 63.483 63.200 0.186 0.000 0.900 484 S HN 0.463 nan 8.310 nan 0.000 0.505 485 Y N 2.464 122.702 120.300 -0.104 0.000 2.610 485 Y HA 0.008 4.591 4.550 0.054 0.000 0.332 485 Y C 0.841 176.721 175.900 -0.033 0.000 1.201 485 Y CA 0.083 58.131 58.100 -0.087 0.000 1.465 485 Y CB 0.251 38.655 38.460 -0.094 0.000 1.283 485 Y HN 0.589 nan 8.280 nan 0.000 0.563 486 Q N 5.088 124.489 119.800 -0.664 0.000 3.254 486 Q HA 0.023 4.396 4.340 0.054 0.000 0.315 486 Q C -0.282 175.407 176.000 -0.518 0.000 1.405 486 Q CA -0.055 55.480 55.803 -0.447 0.000 0.966 486 Q CB -0.199 28.351 28.738 -0.313 0.000 1.706 486 Q HN 0.640 nan 8.270 nan 0.000 0.525 487 E N 1.487 121.466 120.200 -0.367 0.000 2.414 487 E HA -0.015 4.367 4.350 0.054 0.000 0.263 487 E C -0.158 176.409 176.600 -0.055 0.000 1.000 487 E CA -0.376 55.947 56.400 -0.127 0.000 0.914 487 E CB 0.638 30.403 29.700 0.108 0.000 0.948 487 E HN 0.180 nan 8.360 nan 0.000 0.444 488 R N 2.954 123.446 120.500 -0.013 0.000 2.389 488 R HA 0.228 4.601 4.340 0.054 0.000 0.295 488 R C -1.491 174.832 176.300 0.039 0.000 1.075 488 R CA -0.273 55.830 56.100 0.006 0.000 1.005 488 R CB 0.860 31.173 30.300 0.021 0.000 0.987 488 R HN 0.278 nan 8.270 nan 0.000 0.452 489 V N 4.572 124.502 119.914 0.026 0.000 2.495 489 V HA 0.452 4.604 4.120 0.054 0.000 0.298 489 V C -0.545 175.563 176.094 0.023 0.000 1.031 489 V CA -0.623 61.697 62.300 0.033 0.000 0.871 489 V CB 1.472 33.311 31.823 0.027 0.000 0.988 489 V HN 0.893 nan 8.190 nan 0.000 0.432 490 E N 2.749 122.964 120.200 0.025 0.000 2.287 490 E HA 0.671 5.053 4.350 0.054 0.000 0.274 490 E C -0.439 176.167 176.600 0.010 0.000 0.896 490 E CA -0.113 56.295 56.400 0.014 0.000 0.788 490 E CB 2.091 31.800 29.700 0.014 0.000 1.244 490 E HN 1.015 nan 8.360 nan 0.000 0.408 491 G N 2.706 111.506 108.800 0.001 0.000 2.337 491 G HA2 0.058 4.050 3.960 0.054 0.000 0.298 491 G HA3 0.058 4.050 3.960 0.054 0.000 0.298 491 G C -1.445 173.449 174.900 -0.010 0.000 1.335 491 G CA -0.981 44.116 45.100 -0.006 0.000 0.875 491 G HN 0.434 nan 8.290 nan 0.000 0.579 492 N N 0.149 118.840 118.700 -0.015 0.000 2.463 492 N HA 0.353 5.125 4.740 0.054 0.000 0.270 492 N C -0.110 175.387 175.510 -0.022 0.000 1.205 492 N CA -0.237 52.803 53.050 -0.017 0.000 0.974 492 N CB 0.845 39.320 38.487 -0.019 0.000 1.197 492 N HN 0.477 nan 8.380 nan 0.000 0.504 493 K N 0.895 121.281 120.400 -0.022 0.000 2.336 493 K HA 0.197 4.550 4.320 0.054 0.000 0.290 493 K C -0.425 176.154 176.600 -0.035 0.000 1.067 493 K CA -0.195 56.075 56.287 -0.028 0.000 0.962 493 K CB -0.089 32.396 32.500 -0.025 0.000 1.008 493 K HN 0.337 nan 8.250 nan 0.000 0.467 494 V N 0.266 120.154 119.914 -0.043 0.000 2.876 494 V HA 0.476 4.629 4.120 0.054 0.000 0.312 494 V C -0.427 175.628 176.094 -0.065 0.000 1.085 494 V CA -1.333 60.937 62.300 -0.050 0.000 0.945 494 V CB 2.012 33.807 31.823 -0.047 0.000 1.017 494 V HN 0.615 nan 8.190 nan 0.000 0.428 495 R N 2.324 122.782 120.500 -0.071 0.000 2.755 495 R HA 0.559 4.931 4.340 0.054 0.000 0.268 495 R C -0.450 175.803 176.300 -0.077 0.000 1.295 495 R CA -0.109 55.938 56.100 -0.089 0.000 1.379 495 R CB 0.704 30.938 30.300 -0.111 0.000 1.170 495 R HN 0.934 nan 8.270 nan 0.000 0.584 496 E N 1.694 121.844 120.200 -0.082 0.000 2.308 496 E HA 0.269 4.651 4.350 0.054 0.000 0.275 496 E C -1.213 175.319 176.600 -0.113 0.000 0.890 496 E CA -1.054 55.299 56.400 -0.079 0.000 0.754 496 E CB 1.675 31.334 29.700 -0.068 0.000 1.207 496 E HN 0.100 nan 8.360 nan 0.000 0.426 497 R N 1.594 122.032 120.500 -0.103 0.000 2.390 497 R HA 0.241 4.614 4.340 0.054 0.000 0.291 497 R C -0.603 175.576 176.300 -0.202 0.000 1.070 497 R CA -0.005 55.995 56.100 -0.167 0.000 1.014 497 R CB 1.299 31.561 30.300 -0.063 0.000 1.007 497 R HN 0.388 nan 8.270 nan 0.000 0.466 498 S N 4.655 120.117 115.700 -0.398 0.000 2.533 498 S HA 0.143 4.646 4.470 0.054 0.000 0.282 498 S C -1.565 172.993 174.600 -0.071 0.000 1.304 498 S CA -1.282 56.766 58.200 -0.253 0.000 1.063 498 S CB 0.710 63.691 63.200 -0.364 0.000 0.881 498 S HN 0.545 nan 8.310 nan 0.000 0.493 499 P HA -0.108 nan 4.420 nan 0.000 0.219 499 P C 1.513 178.861 177.300 0.080 0.000 1.146 499 P CA 1.198 64.315 63.100 0.028 0.000 0.808 499 P CB -0.150 31.557 31.700 0.011 0.000 0.779 500 S N -1.906 113.880 115.700 0.142 0.000 2.469 500 S HA -0.131 4.372 4.470 0.054 0.000 0.238 500 S C 1.433 176.209 174.600 0.292 0.000 0.998 500 S CA 0.899 59.222 58.200 0.205 0.000 0.957 500 S CB -1.414 61.944 63.200 0.264 0.000 0.764 500 S HN -0.021 nan 8.310 nan 0.000 0.514 501 F N 2.193 122.134 119.950 -0.016 0.000 2.797 501 F HA 0.388 4.947 4.527 0.054 0.000 0.302 501 F C 1.948 177.674 175.800 -0.124 0.000 1.130 501 F CA -0.870 57.114 58.000 -0.027 0.000 1.387 501 F CB -0.640 38.378 39.000 0.031 0.000 1.107 501 F HN 0.350 nan 8.300 nan 0.000 0.577 502 G N 0.454 109.246 108.800 -0.013 0.000 3.574 502 G HA2 0.100 4.093 3.960 0.054 0.000 0.262 502 G HA3 0.100 4.093 3.960 0.054 0.000 0.262 502 G C -0.045 174.439 174.900 -0.693 0.000 1.231 502 G CA 0.112 45.025 45.100 -0.313 0.000 1.608 502 G HN 0.050 nan 8.290 nan 0.000 0.628 503 E N 0.110 119.830 120.200 -0.800 0.000 2.263 503 E HA 0.330 4.712 4.350 0.054 0.000 0.268 503 E C -0.969 175.213 176.600 -0.696 0.000 0.884 503 E CA -0.768 55.237 56.400 -0.659 0.000 0.766 503 E CB 1.570 31.124 29.700 -0.243 0.000 1.196 503 E HN 0.194 nan 8.360 nan 0.000 0.416 504 Y N 2.693 122.780 120.300 -0.355 0.000 2.527 504 Y HA 0.219 4.802 4.550 0.054 0.000 0.247 504 Y C 0.533 176.166 175.900 -0.446 0.000 1.138 504 Y CA -0.122 57.685 58.100 -0.489 0.000 1.228 504 Y CB 0.506 38.509 38.460 -0.762 0.000 1.252 504 Y HN 0.431 nan 8.280 nan 0.000 0.531 505 Y N -1.615 118.767 120.300 0.137 0.000 2.452 505 Y HA 0.081 4.664 4.550 0.054 0.000 0.262 505 Y C 2.383 178.342 175.900 0.098 0.000 1.089 505 Y CA 0.110 58.286 58.100 0.127 0.000 1.262 505 Y CB -0.299 38.241 38.460 0.132 0.000 1.236 505 Y HN 0.040 nan 8.280 nan 0.000 0.512 506 S N -0.644 115.190 115.700 0.222 0.000 2.383 506 S HA -0.199 4.304 4.470 0.054 0.000 0.227 506 S C 1.475 176.141 174.600 0.109 0.000 1.026 506 S CA 1.761 60.068 58.200 0.178 0.000 0.981 506 S CB -0.540 62.772 63.200 0.186 0.000 0.818 506 S HN 0.429 nan 8.310 nan 0.000 0.472 507 H N 2.781 121.759 119.070 -0.154 0.000 2.333 507 H HA 0.202 4.790 4.556 0.054 0.000 0.302 507 H C -0.634 174.491 175.328 -0.337 0.000 1.075 507 H CA 1.218 57.026 56.048 -0.400 0.000 1.348 507 H CB -1.716 27.579 29.762 -0.779 0.000 1.393 507 H HN 0.374 nan 8.280 nan 0.000 0.509 508 P HA -0.187 nan 4.420 nan 0.000 0.216 508 P C 1.453 178.934 177.300 0.302 0.000 1.153 508 P CA 1.770 65.016 63.100 0.243 0.000 0.858 508 P CB 0.085 31.957 31.700 0.286 0.000 0.789 509 R N -0.452 120.175 120.500 0.211 0.000 2.075 509 R HA -0.110 4.263 4.340 0.054 0.000 0.232 509 R C 2.170 178.596 176.300 0.210 0.000 1.126 509 R CA 1.048 57.279 56.100 0.217 0.000 0.963 509 R CB -1.059 29.331 30.300 0.149 0.000 0.858 509 R HN 0.065 nan 8.270 nan 0.000 0.435 510 L N 0.445 121.732 121.223 0.106 0.000 2.012 510 L HA -0.136 4.237 4.340 0.054 0.000 0.210 510 L C 2.007 178.927 176.870 0.083 0.000 1.073 510 L CA 1.783 56.647 54.840 0.041 0.000 0.748 510 L CB -0.736 41.268 42.059 -0.091 0.000 0.891 510 L HN 0.245 nan 8.230 nan 0.000 0.431 511 F N -0.586 119.385 119.950 0.036 0.000 2.069 511 F HA -0.301 4.258 4.527 0.054 0.000 0.298 511 F C 2.347 178.150 175.800 0.004 0.000 1.113 511 F CA 2.324 60.328 58.000 0.007 0.000 1.214 511 F CB -0.691 38.353 39.000 0.074 0.000 0.978 511 F HN 0.400 nan 8.300 nan 0.000 0.474 512 W N 1.245 122.545 121.300 -0.000 0.000 2.338 512 W HA -0.242 4.450 4.660 0.054 0.000 0.304 512 W C 1.694 178.100 176.519 -0.188 0.000 1.212 512 W CA 1.701 58.993 57.345 -0.089 0.000 1.264 512 W CB -0.614 28.880 29.460 0.056 0.000 1.142 512 W HN 0.109 nan 8.180 nan 0.000 0.512 513 L N 0.880 122.028 121.223 -0.125 0.000 2.291 513 L HA -0.129 4.244 4.340 0.054 0.000 0.214 513 L C 2.381 179.065 176.870 -0.311 0.000 1.120 513 L CA 0.954 55.656 54.840 -0.230 0.000 0.799 513 L CB -0.637 41.411 42.059 -0.019 0.000 0.925 513 L HN -0.162 nan 8.230 nan 0.000 0.446 514 S N -1.209 114.290 115.700 -0.336 0.000 2.562 514 S HA 0.025 4.527 4.470 0.054 0.000 0.221 514 S C 0.735 175.048 174.600 -0.479 0.000 0.975 514 S CA 0.197 58.187 58.200 -0.351 0.000 0.918 514 S CB -0.016 63.003 63.200 -0.301 0.000 0.772 514 S HN 0.310 nan 8.310 nan 0.000 0.531 515 Q N 2.208 121.621 119.800 -0.645 0.000 2.306 515 Q HA 0.252 4.624 4.340 0.054 0.000 0.241 515 Q C 0.659 176.269 176.000 -0.650 0.000 0.948 515 Q CA -0.084 55.300 55.803 -0.699 0.000 0.886 515 Q CB 0.371 28.636 28.738 -0.789 0.000 1.227 515 Q HN 0.431 nan 8.270 nan 0.000 0.457 516 T N -1.603 112.528 114.554 -0.705 0.000 2.748 516 T HA 0.119 4.502 4.350 0.054 0.000 0.304 516 T C -1.758 172.473 174.700 -0.781 0.000 1.041 516 T CA -1.182 60.451 62.100 -0.778 0.000 1.033 516 T CB 0.271 68.401 68.868 -1.230 0.000 0.995 516 T HN 0.242 nan 8.240 nan 0.000 0.536 517 P HA 0.037 nan 4.420 nan 0.000 0.219 517 P C 1.295 178.385 177.300 -0.350 0.000 1.150 517 P CA 0.785 63.657 63.100 -0.382 0.000 0.814 517 P CB -0.208 31.390 31.700 -0.171 0.000 0.787 518 F N -0.309 119.445 119.950 -0.328 0.000 2.234 518 F HA 0.082 4.641 4.527 0.054 0.000 0.296 518 F C 1.816 177.263 175.800 -0.588 0.000 1.089 518 F CA 0.767 58.510 58.000 -0.429 0.000 1.343 518 F CB -1.549 37.185 39.000 -0.444 0.000 1.040 518 F HN -0.135 nan 8.300 nan 0.000 0.498 519 E N 0.598 120.233 120.200 -0.942 0.000 2.110 519 E HA -0.222 4.161 4.350 0.054 0.000 0.193 519 E C 2.203 178.611 176.600 -0.320 0.000 0.988 519 E CA 1.478 57.565 56.400 -0.522 0.000 0.804 519 E CB -0.284 29.052 29.700 -0.607 0.000 0.745 519 E HN 0.632 nan 8.360 nan 0.000 0.458 520 Q N 0.206 119.733 119.800 -0.455 0.000 2.084 520 Q HA -0.207 4.166 4.340 0.054 0.000 0.202 520 Q C 2.256 178.283 176.000 0.045 0.000 0.978 520 Q CA 1.335 56.904 55.803 -0.391 0.000 0.844 520 Q CB -0.129 28.119 28.738 -0.816 0.000 0.898 520 Q HN 0.014 nan 8.270 nan 0.000 0.426 521 R N 0.391 120.893 120.500 0.002 0.000 2.091 521 R HA -0.158 4.215 4.340 0.054 0.000 0.238 521 R C 1.595 178.081 176.300 0.310 0.000 1.136 521 R CA 1.911 58.107 56.100 0.160 0.000 0.959 521 R CB -0.458 29.911 30.300 0.115 0.000 0.856 521 R HN 0.463 nan 8.270 nan 0.000 0.437 522 H N -0.827 118.336 119.070 0.157 0.000 2.457 522 H HA 0.013 4.602 4.556 0.054 0.000 0.294 522 H C 1.939 177.385 175.328 0.197 0.000 1.064 522 H CA 1.036 57.192 56.048 0.179 0.000 1.330 522 H CB 0.068 29.940 29.762 0.184 0.000 1.395 522 H HN 0.204 nan 8.280 nan 0.000 0.541 523 I N 0.089 120.884 120.570 0.376 0.000 2.202 523 I HA -0.243 3.960 4.170 0.054 0.000 0.242 523 I C 2.278 178.695 176.117 0.500 0.000 1.091 523 I CA 0.738 62.297 61.300 0.431 0.000 1.368 523 I CB -0.124 38.229 38.000 0.589 0.000 1.058 523 I HN 0.075 nan 8.210 nan 0.000 0.410 524 V N 0.970 121.171 119.914 0.479 0.000 2.332 524 V HA -0.324 3.828 4.120 0.054 0.000 0.248 524 V C 2.003 178.278 176.094 0.303 0.000 1.055 524 V CA 2.089 64.616 62.300 0.379 0.000 1.038 524 V CB -0.692 31.310 31.823 0.299 0.000 0.651 524 V HN 0.427 nan 8.190 nan 0.000 0.450 525 D N 0.309 120.868 120.400 0.264 0.000 2.178 525 D HA -0.079 4.593 4.640 0.054 0.000 0.202 525 D C 2.157 178.531 176.300 0.123 0.000 0.974 525 D CA 1.464 55.581 54.000 0.195 0.000 0.841 525 D CB -0.468 40.447 40.800 0.192 0.000 0.953 525 D HN 0.492 nan 8.370 nan 0.000 0.478 526 G N 0.040 108.896 108.800 0.093 0.000 2.404 526 G HA2 -0.220 3.773 3.960 0.054 0.000 0.215 526 G HA3 -0.220 3.773 3.960 0.054 0.000 0.215 526 G C 1.436 176.332 174.900 -0.007 0.000 1.174 526 G CA 0.076 45.130 45.100 -0.076 0.000 0.780 526 G HN 0.152 nan 8.290 nan 0.000 0.537 527 F N 2.009 121.999 119.950 0.066 0.000 2.126 527 F HA -0.103 4.456 4.527 0.055 0.000 0.299 527 F C 3.164 178.879 175.800 -0.141 0.000 1.096 527 F CA 1.668 59.636 58.000 -0.053 0.000 1.255 527 F CB -0.349 38.628 39.000 -0.037 0.000 0.997 527 F HN 0.087 nan 8.300 nan 0.000 0.479 528 S N -0.081 115.725 115.700 0.176 0.000 2.356 528 S HA -0.216 4.286 4.470 0.054 0.000 0.223 528 S C 1.875 176.503 174.600 0.046 0.000 1.032 528 S CA 1.278 59.522 58.200 0.074 0.000 1.005 528 S CB -0.888 62.375 63.200 0.105 0.000 0.867 528 S HN 0.388 nan 8.310 nan 0.000 0.449 529 F N 2.683 122.593 119.950 -0.067 0.000 2.095 529 F HA -0.149 4.410 4.527 0.053 0.000 0.298 529 F C 2.384 178.119 175.800 -0.109 0.000 1.104 529 F CA 1.614 59.563 58.000 -0.085 0.000 1.232 529 F CB -0.293 38.601 39.000 -0.177 0.000 0.987 529 F HN 0.146 nan 8.300 nan 0.000 0.475 530 E N 0.443 120.665 120.200 0.037 0.000 2.077 530 E HA -0.224 4.158 4.350 0.054 0.000 0.193 530 E C 2.350 178.774 176.600 -0.294 0.000 0.989 530 E CA 1.670 58.041 56.400 -0.050 0.000 0.800 530 E CB -0.492 29.304 29.700 0.161 0.000 0.746 530 E HN 0.487 nan 8.360 nan 0.000 0.452 531 L N 0.833 121.797 121.223 -0.431 0.000 2.217 531 L HA -0.088 4.285 4.340 0.054 0.000 0.211 531 L C 2.434 179.147 176.870 -0.262 0.000 1.107 531 L CA 0.467 55.029 54.840 -0.465 0.000 0.783 531 L CB -0.164 41.629 42.059 -0.442 0.000 0.919 531 L HN 0.002 nan 8.230 nan 0.000 0.442 532 S N -0.221 115.342 115.700 -0.229 0.000 2.419 532 S HA -0.109 4.393 4.470 0.054 0.000 0.233 532 S C 1.717 176.203 174.600 -0.189 0.000 1.016 532 S CA 1.024 59.110 58.200 -0.190 0.000 0.974 532 S CB -0.084 62.997 63.200 -0.199 0.000 0.786 532 S HN 0.319 nan 8.310 nan 0.000 0.492 533 K N 1.179 121.444 120.400 -0.225 0.000 2.426 533 K HA 0.198 4.550 4.320 0.054 0.000 0.193 533 K C 0.103 176.699 176.600 -0.007 0.000 1.028 533 K CA 0.092 56.308 56.287 -0.119 0.000 1.047 533 K CB -0.194 32.234 32.500 -0.120 0.000 0.821 533 K HN 0.217 nan 8.250 nan 0.000 0.513 534 V N 2.288 122.181 119.914 -0.036 0.000 2.439 534 V HA -0.015 4.137 4.120 0.054 0.000 0.271 534 V C 1.746 177.827 176.094 -0.022 0.000 1.040 534 V CA -0.034 62.269 62.300 0.006 0.000 1.002 534 V CB 1.279 33.074 31.823 -0.048 0.000 1.000 534 V HN -0.115 nan 8.190 nan 0.000 0.477 535 V N 5.151 125.073 119.914 0.014 0.000 2.548 535 V HA -0.025 4.128 4.120 0.054 0.000 0.249 535 V C 1.315 177.393 176.094 -0.027 0.000 1.055 535 V CA 1.233 63.535 62.300 0.005 0.000 1.065 535 V CB -0.480 31.364 31.823 0.035 0.000 0.681 535 V HN 0.741 nan 8.190 nan 0.000 0.462 536 R N 0.677 121.132 120.500 -0.074 0.000 2.205 536 R HA 0.211 4.584 4.340 0.054 0.000 0.342 536 R C -1.778 174.390 176.300 -0.220 0.000 1.058 536 R CA -1.508 54.514 56.100 -0.129 0.000 0.904 536 R CB 0.894 31.045 30.300 -0.248 0.000 1.089 536 R HN 0.205 nan 8.270 nan 0.000 0.471 537 P HA -0.187 nan 4.420 nan 0.000 0.220 537 P C 0.662 177.916 177.300 -0.078 0.000 1.148 537 P CA 1.071 64.132 63.100 -0.066 0.000 0.803 537 P CB 0.046 31.750 31.700 0.007 0.000 0.782 538 Y N -1.539 118.761 120.300 0.001 0.000 2.333 538 Y HA -0.077 4.506 4.550 0.054 0.000 0.290 538 Y C 1.875 177.781 175.900 0.010 0.000 1.144 538 Y CA 0.707 58.808 58.100 0.002 0.000 1.228 538 Y CB -1.723 36.738 38.460 0.003 0.000 0.985 538 Y HN -0.098 nan 8.280 nan 0.000 0.542 539 I N 0.881 121.020 120.570 -0.718 0.000 2.252 539 I HA -0.232 3.971 4.170 0.054 0.000 0.245 539 I C 2.479 178.512 176.117 -0.140 0.000 1.102 539 I CA 1.299 62.371 61.300 -0.380 0.000 1.385 539 I CB -0.377 37.387 38.000 -0.394 0.000 1.064 539 I HN 0.191 nan 8.210 nan 0.000 0.414 540 R N 0.900 121.305 120.500 -0.159 0.000 2.091 540 R HA -0.191 4.182 4.340 0.054 0.000 0.238 540 R C 2.095 178.348 176.300 -0.078 0.000 1.136 540 R CA 1.521 57.543 56.100 -0.131 0.000 0.959 540 R CB -0.432 29.787 30.300 -0.135 0.000 0.856 540 R HN 0.477 nan 8.270 nan 0.000 0.437 541 E N 0.521 120.697 120.200 -0.040 0.000 2.077 541 E HA -0.161 4.222 4.350 0.054 0.000 0.193 541 E C 2.125 178.733 176.600 0.013 0.000 0.989 541 E CA 1.010 57.407 56.400 -0.005 0.000 0.800 541 E CB -0.053 29.666 29.700 0.033 0.000 0.746 541 E HN 0.298 nan 8.360 nan 0.000 0.452 542 R N 0.410 120.934 120.500 0.040 0.000 2.115 542 R HA -0.086 4.287 4.340 0.054 0.000 0.230 542 R C 2.388 178.716 176.300 0.046 0.000 1.111 542 R CA 0.930 57.065 56.100 0.059 0.000 0.976 542 R CB -0.211 30.145 30.300 0.094 0.000 0.870 542 R HN 0.054 nan 8.270 nan 0.000 0.445 543 V N 0.327 120.263 119.914 0.037 0.000 2.307 543 V HA -0.191 3.962 4.120 0.054 0.000 0.245 543 V C 2.302 178.379 176.094 -0.028 0.000 1.045 543 V CA 1.436 63.768 62.300 0.052 0.000 1.024 543 V CB -0.278 31.595 31.823 0.083 0.000 0.651 543 V HN 0.107 nan 8.190 nan 0.000 0.449 544 V N 0.681 120.550 119.914 -0.075 0.000 2.380 544 V HA -0.357 3.795 4.120 0.054 0.000 0.251 544 V C 2.304 178.357 176.094 -0.069 0.000 1.063 544 V CA 2.561 64.794 62.300 -0.111 0.000 1.055 544 V CB -0.745 31.018 31.823 -0.100 0.000 0.657 544 V HN 0.681 nan 8.190 nan 0.000 0.455 545 D N -0.931 119.462 120.400 -0.012 0.000 2.123 545 D HA -0.201 4.471 4.640 0.054 0.000 0.196 545 D C 2.269 178.643 176.300 0.124 0.000 0.992 545 D CA 1.165 55.191 54.000 0.043 0.000 0.833 545 D CB -0.011 40.830 40.800 0.068 0.000 0.954 545 D HN 0.331 nan 8.370 nan 0.000 0.455 546 Q N -0.121 119.724 119.800 0.075 0.000 2.084 546 Q HA -0.085 4.287 4.340 0.054 0.000 0.202 546 Q C 2.584 178.605 176.000 0.035 0.000 0.978 546 Q CA 0.712 56.568 55.803 0.088 0.000 0.844 546 Q CB -0.410 28.396 28.738 0.114 0.000 0.898 546 Q HN 0.460 nan 8.270 nan 0.000 0.426 547 L N 0.167 121.346 121.223 -0.073 0.000 2.127 547 L HA -0.162 4.211 4.340 0.054 0.000 0.211 547 L C 2.348 179.095 176.870 -0.204 0.000 1.089 547 L CA 1.038 55.755 54.840 -0.204 0.000 0.757 547 L CB -0.712 41.117 42.059 -0.383 0.000 0.899 547 L HN 0.102 nan 8.230 nan 0.000 0.434 548 A N -0.718 122.007 122.820 -0.158 0.000 2.070 548 A HA -0.206 4.147 4.320 0.054 0.000 0.220 548 A C 1.785 179.184 177.584 -0.307 0.000 1.159 548 A CA 1.307 53.215 52.037 -0.215 0.000 0.656 548 A CB -0.726 18.157 19.000 -0.195 0.000 0.800 548 A HN 0.448 nan 8.150 nan 0.000 0.453 549 H N -1.274 117.582 119.070 -0.358 0.000 2.547 549 H HA 0.241 4.830 4.556 0.054 0.000 0.272 549 H C 1.567 176.604 175.328 -0.484 0.000 0.989 549 H CA 1.082 56.779 56.048 -0.585 0.000 1.214 549 H CB 0.075 29.084 29.762 -1.254 0.000 1.389 549 H HN 0.506 nan 8.280 nan 0.000 0.577 550 I N -1.312 119.144 120.570 -0.190 0.000 2.900 550 I HA 0.084 4.286 4.170 0.054 0.000 0.251 550 I C -0.143 175.896 176.117 -0.128 0.000 1.102 550 I CA 0.384 61.642 61.300 -0.070 0.000 1.457 550 I CB 0.713 38.703 38.000 -0.017 0.000 1.285 550 I HN 0.084 nan 8.210 nan 0.000 0.459 551 D N -0.244 120.007 120.400 -0.249 0.000 2.931 551 D HA 0.163 4.835 4.640 0.054 0.000 0.215 551 D C 0.307 176.437 176.300 -0.283 0.000 1.297 551 D CA -0.366 53.469 54.000 -0.275 0.000 0.892 551 D CB 1.542 42.062 40.800 -0.466 0.000 1.642 551 D HN -0.025 nan 8.370 nan 0.000 0.560 552 L N 3.017 124.134 121.223 -0.176 0.000 2.083 552 L HA -0.080 4.293 4.340 0.054 0.000 0.209 552 L C 1.277 178.067 176.870 -0.134 0.000 1.083 552 L CA 1.785 56.535 54.840 -0.150 0.000 0.752 552 L CB -0.461 41.538 42.059 -0.099 0.000 0.899 552 L HN 0.583 nan 8.230 nan 0.000 0.433 553 T N 0.780 115.281 114.554 -0.089 0.000 2.674 553 T HA -0.223 4.160 4.350 0.054 0.000 0.265 553 T C 1.824 176.468 174.700 -0.092 0.000 1.039 553 T CA 1.661 63.752 62.100 -0.014 0.000 1.150 553 T CB -0.401 68.547 68.868 0.133 0.000 0.864 553 T HN 0.314 nan 8.240 nan 0.000 0.427 554 L N 1.630 122.639 121.223 -0.356 0.000 2.012 554 L HA -0.034 4.339 4.340 0.054 0.000 0.210 554 L C 2.567 179.206 176.870 -0.386 0.000 1.073 554 L CA 2.179 56.639 54.840 -0.633 0.000 0.748 554 L CB -1.048 40.163 42.059 -1.414 0.000 0.891 554 L HN 0.219 nan 8.230 nan 0.000 0.431 555 A N -1.226 121.386 122.820 -0.346 0.000 1.898 555 A HA -0.228 4.124 4.320 0.054 0.000 0.216 555 A C 2.244 179.725 177.584 -0.171 0.000 1.181 555 A CA 1.711 53.589 52.037 -0.266 0.000 0.620 555 A CB -0.633 18.231 19.000 -0.226 0.000 0.819 555 A HN 0.679 nan 8.150 nan 0.000 0.442 556 Q N -0.792 118.932 119.800 -0.127 0.000 2.124 556 Q HA -0.129 4.244 4.340 0.054 0.000 0.202 556 Q C 2.408 178.378 176.000 -0.050 0.000 0.977 556 Q CA 1.357 57.116 55.803 -0.074 0.000 0.850 556 Q CB -0.334 28.374 28.738 -0.050 0.000 0.901 556 Q HN 0.700 nan 8.270 nan 0.000 0.429 557 A N 0.022 122.817 122.820 -0.041 0.000 1.898 557 A HA -0.113 4.239 4.320 0.054 0.000 0.216 557 A C 2.269 179.852 177.584 -0.002 0.000 1.181 557 A CA 1.139 53.181 52.037 0.008 0.000 0.620 557 A CB -0.531 18.506 19.000 0.062 0.000 0.819 557 A HN 0.207 nan 8.150 nan 0.000 0.442 558 V N -0.016 119.866 119.914 -0.053 0.000 2.295 558 V HA -0.239 3.913 4.120 0.054 0.000 0.246 558 V C 3.070 179.129 176.094 -0.058 0.000 1.049 558 V CA 1.881 64.147 62.300 -0.058 0.000 1.024 558 V CB -1.310 30.422 31.823 -0.151 0.000 0.648 558 V HN 0.600 nan 8.190 nan 0.000 0.447 559 A N -0.081 122.693 122.820 -0.076 0.000 1.908 559 A HA -0.320 4.032 4.320 0.054 0.000 0.218 559 A C 2.336 179.900 177.584 -0.033 0.000 1.181 559 A CA 2.442 54.442 52.037 -0.061 0.000 0.627 559 A CB -0.548 18.413 19.000 -0.064 0.000 0.818 559 A HN 0.556 nan 8.150 nan 0.000 0.445 560 K N -0.428 119.960 120.400 -0.020 0.000 2.057 560 K HA -0.184 4.168 4.320 0.054 0.000 0.207 560 K C 1.506 178.110 176.600 0.007 0.000 1.049 560 K CA 1.612 57.898 56.287 -0.002 0.000 0.931 560 K CB -0.205 32.300 32.500 0.010 0.000 0.714 560 K HN 0.424 nan 8.250 nan 0.000 0.440 561 N N 0.665 119.373 118.700 0.014 0.000 2.443 561 N HA -0.109 4.663 4.740 0.054 0.000 0.184 561 N C 1.259 176.771 175.510 0.005 0.000 1.037 561 N CA 0.890 53.955 53.050 0.024 0.000 0.896 561 N CB 0.063 38.577 38.487 0.045 0.000 0.959 561 N HN 0.290 nan 8.380 nan 0.000 0.442 562 L N -1.158 120.055 121.223 -0.015 0.000 2.640 562 L HA 0.261 4.633 4.340 0.054 0.000 0.230 562 L C 0.987 177.844 176.870 -0.023 0.000 1.123 562 L CA -0.002 54.819 54.840 -0.031 0.000 0.900 562 L CB -0.023 42.002 42.059 -0.057 0.000 1.146 562 L HN 0.072 nan 8.230 nan 0.000 0.484 563 G N 1.620 110.413 108.800 -0.013 0.000 2.198 563 G HA2 -0.280 3.712 3.960 0.054 0.000 0.257 563 G HA3 -0.280 3.712 3.960 0.054 0.000 0.257 563 G C -0.005 174.887 174.900 -0.013 0.000 1.042 563 G CA 0.043 45.137 45.100 -0.009 0.000 0.791 563 G HN 0.310 nan 8.290 nan 0.000 0.502 564 I N 0.155 120.712 120.570 -0.020 0.000 2.441 564 I HA 0.377 4.579 4.170 0.054 0.000 0.295 564 I C 0.229 176.331 176.117 -0.024 0.000 0.994 564 I CA -0.676 60.610 61.300 -0.023 0.000 1.144 564 I CB 1.593 39.572 38.000 -0.035 0.000 1.314 564 I HN 0.058 nan 8.210 nan 0.000 0.445 565 E N 6.408 126.596 120.200 -0.020 0.000 2.151 565 E HA 0.422 4.804 4.350 0.054 0.000 0.275 565 E C -0.939 175.644 176.600 -0.027 0.000 0.936 565 E CA -0.737 55.650 56.400 -0.021 0.000 0.777 565 E CB 1.951 31.643 29.700 -0.015 0.000 1.108 565 E HN 0.422 nan 8.360 nan 0.000 0.401 566 L N 2.771 123.973 121.223 -0.035 0.000 2.456 566 L HA 0.080 4.452 4.340 0.054 0.000 0.272 566 L C 1.214 178.063 176.870 -0.036 0.000 1.189 566 L CA -0.128 54.686 54.840 -0.043 0.000 0.846 566 L CB 0.032 42.057 42.059 -0.057 0.000 1.111 566 L HN 0.620 nan 8.230 nan 0.000 0.475 567 T N -2.309 112.224 114.554 -0.035 0.000 2.766 567 T HA 0.051 4.434 4.350 0.054 0.000 0.295 567 T C 0.754 175.432 174.700 -0.036 0.000 1.024 567 T CA -0.767 61.316 62.100 -0.029 0.000 1.018 567 T CB 0.968 69.822 68.868 -0.024 0.000 1.002 567 T HN 0.508 nan 8.240 nan 0.000 0.532 568 D N 0.414 120.797 120.400 -0.029 0.000 2.144 568 D HA -0.075 4.597 4.640 0.054 0.000 0.199 568 D C 1.686 177.961 176.300 -0.041 0.000 0.984 568 D CA 1.098 55.079 54.000 -0.032 0.000 0.834 568 D CB -0.288 40.497 40.800 -0.024 0.000 0.955 568 D HN 0.587 nan 8.370 nan 0.000 0.465 569 D N 0.577 120.954 120.400 -0.039 0.000 2.097 569 D HA -0.127 4.545 4.640 0.054 0.000 0.195 569 D C 2.111 178.365 176.300 -0.077 0.000 0.989 569 D CA 0.790 54.762 54.000 -0.048 0.000 0.827 569 D CB -0.305 40.475 40.800 -0.033 0.000 0.966 569 D HN 0.320 nan 8.370 nan 0.000 0.456 570 Q N -0.358 119.395 119.800 -0.078 0.000 2.135 570 Q HA -0.114 4.259 4.340 0.054 0.000 0.204 570 Q C 1.789 177.713 176.000 -0.127 0.000 0.981 570 Q CA 0.609 56.341 55.803 -0.117 0.000 0.856 570 Q CB 0.010 28.692 28.738 -0.093 0.000 0.902 570 Q HN 0.176 nan 8.270 nan 0.000 0.425 571 L N 0.339 121.508 121.223 -0.090 0.000 2.376 571 L HA -0.098 4.274 4.340 0.054 0.000 0.219 571 L C 0.620 177.440 176.870 -0.083 0.000 1.133 571 L CA 1.536 56.327 54.840 -0.081 0.000 0.816 571 L CB -0.432 41.593 42.059 -0.056 0.000 0.933 571 L HN 0.190 nan 8.230 nan 0.000 0.449 572 N N -1.441 117.206 118.700 -0.088 0.000 2.214 572 N HA 0.216 4.988 4.740 0.054 0.000 0.214 572 N C 0.070 175.519 175.510 -0.101 0.000 1.132 572 N CA -0.123 52.881 53.050 -0.078 0.000 0.856 572 N CB 0.514 38.968 38.487 -0.055 0.000 1.020 572 N HN 0.145 nan 8.380 nan 0.000 0.509 573 I N 1.467 121.943 120.570 -0.157 0.000 2.533 573 I HA -0.022 4.180 4.170 0.054 0.000 0.284 573 I C 0.346 176.370 176.117 -0.154 0.000 1.109 573 I CA 0.135 61.308 61.300 -0.211 0.000 1.412 573 I CB 0.498 38.244 38.000 -0.424 0.000 1.396 573 I HN 0.068 nan 8.210 nan 0.000 0.543 574 T N 8.283 122.775 114.554 -0.103 0.000 2.888 574 T HA 0.133 4.515 4.350 0.054 0.000 0.301 574 T C -1.988 172.676 174.700 -0.060 0.000 1.001 574 T CA -0.810 61.255 62.100 -0.059 0.000 1.147 574 T CB 0.017 68.870 68.868 -0.024 0.000 0.931 574 T HN 0.411 nan 8.240 nan 0.000 0.541 575 P HA 0.203 nan 4.420 nan 0.000 0.269 575 P C -2.333 174.982 177.300 0.024 0.000 1.215 575 P CA -1.393 61.694 63.100 -0.023 0.000 0.780 575 P CB -0.438 31.259 31.700 -0.006 0.000 0.898 576 P HA 0.202 nan 4.420 nan 0.000 0.272 576 P C -2.412 174.943 177.300 0.090 0.000 1.240 576 P CA -1.148 62.021 63.100 0.114 0.000 0.791 576 P CB -1.039 30.775 31.700 0.189 0.000 0.978 577 P HA 0.092 nan 4.420 nan 0.000 0.272 577 P C -0.479 176.870 177.300 0.081 0.000 1.230 577 P CA 0.001 63.148 63.100 0.079 0.000 0.788 577 P CB 0.021 31.769 31.700 0.080 0.000 0.949 578 D N -0.573 119.868 120.400 0.068 0.000 2.361 578 D HA 0.133 4.805 4.640 0.054 0.000 0.239 578 D C -0.428 175.920 176.300 0.080 0.000 1.200 578 D CA -0.324 53.713 54.000 0.061 0.000 0.915 578 D CB -0.098 40.732 40.800 0.050 0.000 1.170 578 D HN -0.026 nan 8.370 nan 0.000 0.444 579 V N 1.657 121.609 119.914 0.063 0.000 2.348 579 V HA 0.132 4.284 4.120 0.054 0.000 0.270 579 V C -0.001 176.185 176.094 0.154 0.000 1.037 579 V CA -0.742 61.626 62.300 0.114 0.000 0.872 579 V CB -0.407 31.394 31.823 -0.038 0.000 1.002 579 V HN 0.705 nan 8.190 nan 0.000 0.464 580 N N 4.566 123.380 118.700 0.189 0.000 2.707 580 N HA -0.231 4.541 4.740 0.054 0.000 0.253 580 N C 1.161 176.739 175.510 0.114 0.000 0.998 580 N CA 1.102 54.251 53.050 0.165 0.000 0.751 580 N CB -0.866 37.768 38.487 0.245 0.000 0.920 580 N HN 1.306 nan 8.380 nan 0.000 0.539 581 G N -2.081 106.771 108.800 0.086 0.000 2.179 581 G HA2 -0.333 3.659 3.960 0.054 0.000 0.260 581 G HA3 -0.333 3.659 3.960 0.054 0.000 0.260 581 G C 0.128 175.060 174.900 0.053 0.000 0.977 581 G CA 0.391 45.528 45.100 0.061 0.000 0.641 581 G HN 0.422 nan 8.290 nan 0.000 0.533 582 L N -0.134 121.124 121.223 0.058 0.000 2.349 582 L HA 0.460 4.832 4.340 0.054 0.000 0.275 582 L C 1.276 178.160 176.870 0.023 0.000 1.115 582 L CA -0.187 54.676 54.840 0.039 0.000 0.820 582 L CB 1.291 43.372 42.059 0.038 0.000 1.135 582 L HN 0.048 nan 8.230 nan 0.000 0.445 583 K N 3.171 123.578 120.400 0.013 0.000 2.455 583 K HA 0.188 4.541 4.320 0.054 0.000 0.206 583 K C -0.815 175.777 176.600 -0.014 0.000 1.027 583 K CA -0.092 56.200 56.287 0.007 0.000 1.113 583 K CB 0.444 32.950 32.500 0.010 0.000 0.850 583 K HN 0.552 nan 8.250 nan 0.000 0.503 584 K N -0.824 119.563 120.400 -0.022 0.000 2.960 584 K HA 0.161 4.513 4.320 0.054 0.000 0.296 584 K C -2.226 174.353 176.600 -0.035 0.000 1.092 584 K CA -0.975 55.282 56.287 -0.049 0.000 0.847 584 K CB 0.776 33.230 32.500 -0.077 0.000 1.458 584 K HN -0.190 nan 8.250 nan 0.000 0.359 585 D N 1.467 121.839 120.400 -0.048 0.000 2.478 585 D HA 0.322 4.994 4.640 0.054 0.000 0.240 585 D C -2.245 174.032 176.300 -0.038 0.000 1.364 585 D CA -1.930 52.060 54.000 -0.017 0.000 0.987 585 D CB 2.205 43.015 40.800 0.017 0.000 1.328 585 D HN 0.234 nan 8.370 nan 0.000 0.584 586 P HA -0.083 nan 4.420 nan 0.000 0.225 586 P C 1.239 178.524 177.300 -0.026 0.000 1.148 586 P CA 0.774 63.838 63.100 -0.059 0.000 0.779 586 P CB 0.213 31.891 31.700 -0.037 0.000 0.780 587 S N -1.241 114.477 115.700 0.030 0.000 2.547 587 S HA -0.038 4.464 4.470 0.054 0.000 0.235 587 S C 1.629 176.304 174.600 0.126 0.000 0.980 587 S CA 0.690 58.944 58.200 0.090 0.000 0.941 587 S CB -1.327 61.954 63.200 0.136 0.000 0.763 587 S HN 0.150 nan 8.310 nan 0.000 0.532 588 L N 1.150 122.403 121.223 0.050 0.000 2.418 588 L HA 0.200 4.573 4.340 0.054 0.000 0.218 588 L C 1.471 178.214 176.870 -0.210 0.000 1.125 588 L CA 0.122 54.975 54.840 0.021 0.000 0.835 588 L CB -0.267 41.776 42.059 -0.026 0.000 0.953 588 L HN 0.312 nan 8.230 nan 0.000 0.454 589 S N -0.303 115.261 115.700 -0.226 0.000 2.562 589 S HA 0.269 4.771 4.470 0.054 0.000 0.275 589 S C 1.136 175.603 174.600 -0.222 0.000 1.281 589 S CA -0.609 57.408 58.200 -0.306 0.000 1.045 589 S CB 1.182 64.212 63.200 -0.284 0.000 0.962 589 S HN 0.170 nan 8.310 nan 0.000 0.503 590 L N 3.474 124.483 121.223 -0.357 0.000 2.141 590 L HA -0.017 4.355 4.340 0.054 0.000 0.209 590 L C 0.885 177.461 176.870 -0.489 0.000 1.094 590 L CA 1.232 55.748 54.840 -0.540 0.000 0.763 590 L CB -0.310 41.095 42.059 -1.090 0.000 0.908 590 L HN 0.768 nan 8.230 nan 0.000 0.437 591 Y N -2.363 117.927 120.300 -0.017 0.000 2.432 591 Y HA 0.345 4.927 4.550 0.054 0.000 0.252 591 Y C 2.165 178.085 175.900 0.033 0.000 1.097 591 Y CA -0.131 58.013 58.100 0.073 0.000 1.250 591 Y CB -0.452 38.095 38.460 0.145 0.000 1.245 591 Y HN -0.054 nan 8.280 nan 0.000 0.522 592 A N 0.850 123.695 122.820 0.041 0.000 1.917 592 A HA -0.127 4.226 4.320 0.054 0.000 0.219 592 A C 0.929 178.548 177.584 0.058 0.000 1.182 592 A CA 1.298 53.332 52.037 -0.005 0.000 0.633 592 A CB -0.821 18.122 19.000 -0.095 0.000 0.819 592 A HN 0.321 nan 8.150 nan 0.000 0.448 593 I N 0.688 121.300 120.570 0.069 0.000 2.354 593 I HA 0.250 4.452 4.170 0.054 0.000 0.286 593 I C -2.507 173.683 176.117 0.121 0.000 1.007 593 I CA -2.224 59.124 61.300 0.081 0.000 1.167 593 I CB 1.570 39.605 38.000 0.058 0.000 1.320 593 I HN -0.018 nan 8.210 nan 0.000 0.458 594 P HA -0.030 nan 4.420 nan 0.000 0.260 594 P C -0.465 176.913 177.300 0.130 0.000 1.172 594 P CA 0.317 63.512 63.100 0.159 0.000 0.760 594 P CB 0.323 32.099 31.700 0.126 0.000 0.773 595 D N 1.512 121.999 120.400 0.145 0.000 2.865 595 D HA 0.139 4.811 4.640 0.054 0.000 0.347 595 D C 0.514 176.876 176.300 0.103 0.000 1.498 595 D CA -0.501 53.563 54.000 0.107 0.000 0.787 595 D CB -0.390 40.468 40.800 0.097 0.000 1.190 595 D HN 0.300 nan 8.370 nan 0.000 0.445 596 G N 0.071 108.942 108.800 0.118 0.000 2.544 596 G HA2 0.363 4.356 3.960 0.054 0.000 0.242 596 G HA3 0.363 4.356 3.960 0.054 0.000 0.242 596 G C -0.623 174.316 174.900 0.065 0.000 1.247 596 G CA -0.030 45.133 45.100 0.104 0.000 0.840 596 G HN 0.218 nan 8.290 nan 0.000 0.578 597 D N -0.004 120.427 120.400 0.051 0.000 2.891 597 D HA 0.151 4.823 4.640 0.054 0.000 0.224 597 D C 0.778 177.090 176.300 0.020 0.000 1.321 597 D CA -0.477 53.538 54.000 0.026 0.000 0.929 597 D CB 1.694 42.502 40.800 0.014 0.000 1.551 597 D HN 0.382 nan 8.370 nan 0.000 0.574 598 V N 1.770 121.689 119.914 0.008 0.000 3.541 598 V HA 0.265 4.417 4.120 0.054 0.000 0.267 598 V C 0.993 177.067 176.094 -0.034 0.000 1.213 598 V CA 0.158 62.457 62.300 -0.002 0.000 1.149 598 V CB -0.680 31.138 31.823 -0.009 0.000 0.822 598 V HN 0.416 nan 8.190 nan 0.000 0.462 599 K N 1.409 121.782 120.400 -0.045 0.000 2.447 599 K HA 0.403 4.755 4.320 0.054 0.000 0.281 599 K C 1.224 177.776 176.600 -0.080 0.000 1.031 599 K CA 1.072 57.309 56.287 -0.084 0.000 1.019 599 K CB 0.073 32.531 32.500 -0.070 0.000 0.918 599 K HN 0.709 nan 8.250 nan 0.000 0.476 600 G N 3.188 111.900 108.800 -0.147 0.000 2.195 600 G HA2 -0.210 3.782 3.960 0.054 0.000 0.246 600 G HA3 -0.210 3.782 3.960 0.054 0.000 0.246 600 G C 0.061 174.996 174.900 0.058 0.000 0.984 600 G CA -0.249 44.838 45.100 -0.022 0.000 0.633 600 G HN 0.562 nan 8.290 nan 0.000 0.525 601 R N -0.209 120.296 120.500 0.008 0.000 2.738 601 R HA 0.699 5.072 4.340 0.054 0.000 0.275 601 R C 0.102 176.451 176.300 0.081 0.000 1.121 601 R CA -0.030 56.108 56.100 0.063 0.000 1.207 601 R CB 0.851 31.182 30.300 0.052 0.000 1.141 601 R HN 0.718 nan 8.270 nan 0.000 0.571 602 V N 0.182 120.164 119.914 0.113 0.000 2.888 602 V HA 0.476 4.629 4.120 0.054 0.000 0.309 602 V C -1.154 175.003 176.094 0.106 0.000 1.114 602 V CA -0.724 61.658 62.300 0.137 0.000 0.940 602 V CB 2.506 34.436 31.823 0.178 0.000 1.021 602 V HN 0.354 nan 8.190 nan 0.000 0.426 603 V N 5.318 125.289 119.914 0.095 0.000 2.680 603 V HA 0.826 4.978 4.120 0.054 0.000 0.309 603 V C 0.431 176.581 176.094 0.092 0.000 1.052 603 V CA -0.198 62.149 62.300 0.079 0.000 0.908 603 V CB 1.806 33.661 31.823 0.053 0.000 1.001 603 V HN 1.208 nan 8.190 nan 0.000 0.431 604 A N 5.717 128.599 122.820 0.104 0.000 2.328 604 A HA 0.764 5.117 4.320 0.054 0.000 0.284 604 A C -0.437 177.162 177.584 0.024 0.000 1.160 604 A CA -0.257 51.830 52.037 0.083 0.000 0.818 604 A CB 0.036 19.127 19.000 0.151 0.000 1.087 604 A HN 0.751 nan 8.150 nan 0.000 0.504 605 I N 3.772 124.349 120.570 0.012 0.000 2.354 605 I HA 0.166 4.368 4.170 0.054 0.000 0.286 605 I C -0.993 175.129 176.117 0.008 0.000 1.007 605 I CA -0.776 60.532 61.300 0.013 0.000 1.167 605 I CB 1.388 39.408 38.000 0.032 0.000 1.320 605 I HN 0.348 nan 8.210 nan 0.000 0.458 606 L N 7.499 128.715 121.223 -0.012 0.000 2.278 606 L HA 0.403 4.775 4.340 0.054 0.000 0.287 606 L C 0.148 177.115 176.870 0.161 0.000 1.072 606 L CA 0.036 54.924 54.840 0.080 0.000 0.819 606 L CB 0.458 42.439 42.059 -0.130 0.000 1.176 606 L HN 0.429 nan 8.230 nan 0.000 0.435 607 L N 3.622 124.998 121.223 0.255 0.000 2.416 607 L HA 0.448 4.821 4.340 0.054 0.000 0.262 607 L C 0.185 177.236 176.870 0.302 0.000 1.093 607 L CA -0.681 54.258 54.840 0.164 0.000 0.801 607 L CB 1.316 43.377 42.059 0.004 0.000 1.191 607 L HN 0.749 nan 8.230 nan 0.000 0.459 608 N N -2.072 116.711 118.700 0.139 0.000 2.577 608 N HA 0.232 5.004 4.740 0.054 0.000 0.285 608 N C -0.241 175.241 175.510 -0.047 0.000 1.309 608 N CA -0.756 52.415 53.050 0.202 0.000 0.798 608 N CB 0.739 39.336 38.487 0.182 0.000 1.463 608 N HN 0.538 nan 8.380 nan 0.000 0.518 609 D N -1.782 118.634 120.400 0.026 0.000 2.363 609 D HA -0.093 4.580 4.640 0.054 0.000 0.220 609 D C -0.265 175.999 176.300 -0.059 0.000 0.994 609 D CA 0.852 54.802 54.000 -0.084 0.000 0.890 609 D CB -0.029 40.802 40.800 0.051 0.000 0.906 609 D HN 0.764 nan 8.370 nan 0.000 0.530 610 E N 0.547 120.733 120.200 -0.023 0.000 3.666 610 E HA 0.240 4.623 4.350 0.054 0.000 0.230 610 E C -1.096 175.493 176.600 -0.019 0.000 1.235 610 E CA -0.420 55.966 56.400 -0.023 0.000 1.096 610 E CB 0.823 30.518 29.700 -0.009 0.000 1.287 610 E HN -0.119 nan 8.360 nan 0.000 0.406 611 V N 2.040 121.934 119.914 -0.033 0.000 2.763 611 V HA 0.012 4.164 4.120 0.054 0.000 0.306 611 V C 0.862 176.942 176.094 -0.023 0.000 1.059 611 V CA 0.336 62.624 62.300 -0.021 0.000 1.138 611 V CB 0.750 32.555 31.823 -0.030 0.000 0.940 611 V HN 0.503 nan 8.190 nan 0.000 0.489 612 R N 3.273 123.760 120.500 -0.020 0.000 2.357 612 R HA 0.050 4.422 4.340 0.054 0.000 0.330 612 R C 1.625 177.905 176.300 -0.033 0.000 1.102 612 R CA 0.508 56.590 56.100 -0.029 0.000 0.974 612 R CB 0.247 30.525 30.300 -0.036 0.000 1.002 612 R HN 1.008 nan 8.270 nan 0.000 0.463 613 S N 3.235 118.917 115.700 -0.030 0.000 2.383 613 S HA -0.252 4.251 4.470 0.054 0.000 0.229 613 S C 2.004 176.586 174.600 -0.030 0.000 1.030 613 S CA 0.994 59.177 58.200 -0.028 0.000 1.002 613 S CB -0.199 62.986 63.200 -0.025 0.000 0.829 613 S HN 0.684 nan 8.310 nan 0.000 0.467 614 A N 2.305 125.104 122.820 -0.035 0.000 1.933 614 A HA -0.131 4.221 4.320 0.054 0.000 0.218 614 A C 1.962 179.514 177.584 -0.053 0.000 1.175 614 A CA 1.739 53.752 52.037 -0.040 0.000 0.628 614 A CB -0.950 18.025 19.000 -0.042 0.000 0.814 614 A HN 0.470 nan 8.150 nan 0.000 0.444 615 D N -0.181 120.177 120.400 -0.070 0.000 2.092 615 D HA -0.148 4.525 4.640 0.054 0.000 0.193 615 D C 1.885 178.152 176.300 -0.054 0.000 0.994 615 D CA 0.940 54.881 54.000 -0.098 0.000 0.828 615 D CB -0.374 40.358 40.800 -0.112 0.000 0.963 615 D HN 0.326 nan 8.370 nan 0.000 0.450 616 L N 0.145 121.348 121.223 -0.032 0.000 2.083 616 L HA -0.157 4.216 4.340 0.054 0.000 0.209 616 L C 2.196 179.064 176.870 -0.003 0.000 1.083 616 L CA 0.805 55.639 54.840 -0.009 0.000 0.752 616 L CB -0.189 41.863 42.059 -0.011 0.000 0.899 616 L HN 0.097 nan 8.230 nan 0.000 0.433 617 L N -0.063 121.153 121.223 -0.011 0.000 2.093 617 L HA -0.112 4.260 4.340 0.054 0.000 0.208 617 L C 2.692 179.563 176.870 0.001 0.000 1.085 617 L CA 1.935 56.772 54.840 -0.005 0.000 0.755 617 L CB -0.819 41.234 42.059 -0.011 0.000 0.904 617 L HN 0.208 nan 8.230 nan 0.000 0.435 618 A N -0.907 121.909 122.820 -0.006 0.000 1.929 618 A HA -0.110 4.242 4.320 0.054 0.000 0.216 618 A C 2.261 179.867 177.584 0.035 0.000 1.176 618 A CA 1.442 53.483 52.037 0.006 0.000 0.628 618 A CB -0.612 18.381 19.000 -0.011 0.000 0.816 618 A HN 0.388 nan 8.150 nan 0.000 0.444 619 I N -0.251 120.345 120.570 0.042 0.000 2.142 619 I HA -0.261 3.941 4.170 0.054 0.000 0.240 619 I C 2.337 178.487 176.117 0.055 0.000 1.078 619 I CA 1.264 62.612 61.300 0.080 0.000 1.343 619 I CB -0.301 37.750 38.000 0.085 0.000 1.046 619 I HN 0.272 nan 8.210 nan 0.000 0.405 620 L N 0.415 121.661 121.223 0.037 0.000 2.141 620 L HA -0.191 4.181 4.340 0.054 0.000 0.209 620 L C 2.604 179.488 176.870 0.023 0.000 1.094 620 L CA 1.145 56.002 54.840 0.029 0.000 0.763 620 L CB -0.589 41.484 42.059 0.024 0.000 0.908 620 L HN 0.252 nan 8.230 nan 0.000 0.437 621 K N 0.783 121.196 120.400 0.021 0.000 2.057 621 K HA -0.189 4.163 4.320 0.054 0.000 0.207 621 K C 2.100 178.710 176.600 0.017 0.000 1.049 621 K CA 1.500 57.797 56.287 0.016 0.000 0.931 621 K CB -0.041 32.467 32.500 0.013 0.000 0.714 621 K HN 0.258 nan 8.250 nan 0.000 0.440 622 A N 1.172 124.008 122.820 0.026 0.000 1.929 622 A HA -0.016 4.337 4.320 0.054 0.000 0.216 622 A C 2.103 179.694 177.584 0.011 0.000 1.176 622 A CA 0.796 52.847 52.037 0.024 0.000 0.628 622 A CB -0.398 18.627 19.000 0.043 0.000 0.816 622 A HN 0.292 nan 8.150 nan 0.000 0.444 623 L N -0.515 120.716 121.223 0.014 0.000 2.017 623 L HA -0.195 4.177 4.340 0.054 0.000 0.208 623 L C 2.614 179.469 176.870 -0.025 0.000 1.073 623 L CA 1.868 56.705 54.840 -0.005 0.000 0.745 623 L CB -0.480 41.583 42.059 0.007 0.000 0.894 623 L HN 0.433 nan 8.230 nan 0.000 0.432 624 K N 0.535 120.929 120.400 -0.010 0.000 2.044 624 K HA -0.244 4.108 4.320 0.054 0.000 0.210 624 K C 2.079 178.665 176.600 -0.023 0.000 1.049 624 K CA 1.672 57.951 56.287 -0.014 0.000 0.927 624 K CB -0.140 32.362 32.500 0.004 0.000 0.713 624 K HN 0.297 nan 8.250 nan 0.000 0.443 625 A N 0.900 123.712 122.820 -0.014 0.000 2.019 625 A HA -0.114 4.238 4.320 0.054 0.000 0.219 625 A C 1.568 179.138 177.584 -0.023 0.000 1.164 625 A CA 1.349 53.378 52.037 -0.013 0.000 0.644 625 A CB -0.072 18.927 19.000 -0.003 0.000 0.805 625 A HN 0.201 nan 8.150 nan 0.000 0.449 626 K N -1.549 118.830 120.400 -0.035 0.000 2.373 626 K HA 0.219 4.571 4.320 0.054 0.000 0.202 626 K C 0.835 177.387 176.600 -0.079 0.000 1.025 626 K CA 0.581 56.842 56.287 -0.044 0.000 1.115 626 K CB 0.313 32.791 32.500 -0.036 0.000 0.858 626 K HN 0.660 nan 8.250 nan 0.000 0.525 627 G N 1.825 110.564 108.800 -0.102 0.000 2.176 627 G HA2 -0.228 3.765 3.960 0.054 0.000 0.252 627 G HA3 -0.228 3.765 3.960 0.054 0.000 0.252 627 G C 0.048 174.745 174.900 -0.338 0.000 1.024 627 G CA 0.166 45.157 45.100 -0.182 0.000 0.755 627 G HN 0.113 nan 8.290 nan 0.000 0.507 628 V N 0.647 120.408 119.914 -0.256 0.000 2.439 628 V HA 0.500 4.653 4.120 0.054 0.000 0.282 628 V C 0.791 176.725 176.094 -0.267 0.000 1.039 628 V CA -0.730 61.416 62.300 -0.257 0.000 0.913 628 V CB 1.147 32.911 31.823 -0.097 0.000 0.983 628 V HN 0.469 nan 8.190 nan 0.000 0.460 629 H N 1.782 120.863 119.070 0.018 0.000 2.509 629 H HA 0.787 5.376 4.556 0.054 0.000 0.359 629 H C 0.180 175.526 175.328 0.030 0.000 1.253 629 H CA 0.058 56.118 56.048 0.021 0.000 1.373 629 H CB 1.239 31.014 29.762 0.022 0.000 1.555 629 H HN 0.843 nan 8.280 nan 0.000 0.586 630 A N 0.918 123.843 122.820 0.175 0.000 2.498 630 A HA 0.533 4.886 4.320 0.054 0.000 0.298 630 A C -1.188 176.451 177.584 0.091 0.000 1.075 630 A CA -1.008 51.093 52.037 0.107 0.000 0.714 630 A CB 1.301 20.346 19.000 0.075 0.000 1.299 630 A HN 0.777 nan 8.150 nan 0.000 0.407 631 K N 2.342 122.788 120.400 0.077 0.000 2.463 631 K HA 0.649 5.002 4.320 0.054 0.000 0.255 631 K C -1.631 174.992 176.600 0.039 0.000 0.942 631 K CA -0.511 55.811 56.287 0.059 0.000 0.814 631 K CB 1.311 33.854 32.500 0.071 0.000 1.122 631 K HN 0.542 nan 8.250 nan 0.000 0.425 632 L N 4.515 125.751 121.223 0.022 0.000 2.283 632 L HA 0.280 4.653 4.340 0.054 0.000 0.287 632 L C -0.696 176.168 176.870 -0.011 0.000 1.073 632 L CA -0.972 53.873 54.840 0.007 0.000 0.822 632 L CB 0.271 42.328 42.059 -0.003 0.000 1.186 632 L HN 0.487 nan 8.230 nan 0.000 0.436 633 L N 4.401 125.616 121.223 -0.014 0.000 2.333 633 L HA 0.608 4.980 4.340 0.054 0.000 0.269 633 L C -0.425 176.337 176.870 -0.179 0.000 1.010 633 L CA -0.455 54.323 54.840 -0.104 0.000 0.818 633 L CB 1.543 43.550 42.059 -0.086 0.000 1.306 633 L HN 0.353 nan 8.230 nan 0.000 0.430 634 Y N -0.690 119.165 120.300 -0.741 0.000 2.967 634 Y HA 0.298 4.880 4.550 0.054 0.000 0.311 634 Y C 0.903 176.073 175.900 -1.216 0.000 1.555 634 Y CA -0.371 57.200 58.100 -0.881 0.000 1.084 634 Y CB 1.293 39.568 38.460 -0.308 0.000 1.508 634 Y HN 0.543 nan 8.280 nan 0.000 0.457 635 S N 0.535 115.423 115.700 -1.353 0.000 2.558 635 S HA 0.279 4.782 4.470 0.054 0.000 0.217 635 S C -0.006 174.341 174.600 -0.421 0.000 0.975 635 S CA 0.321 58.067 58.200 -0.756 0.000 0.912 635 S CB -0.118 62.742 63.200 -0.566 0.000 0.776 635 S HN 0.601 nan 8.310 nan 0.000 0.526 636 R N -1.245 119.072 120.500 -0.305 0.000 2.766 636 R HA 0.636 5.008 4.340 0.054 0.000 0.270 636 R C -0.816 175.480 176.300 -0.006 0.000 1.035 636 R CA -1.128 54.918 56.100 -0.090 0.000 0.911 636 R CB 0.443 30.732 30.300 -0.019 0.000 1.243 636 R HN -0.072 nan 8.270 nan 0.000 0.460 637 M N 0.114 119.713 119.600 -0.002 0.000 2.114 637 M HA 0.523 5.035 4.480 0.054 0.000 0.280 637 M C 0.972 177.288 176.300 0.027 0.000 1.209 637 M CA 0.938 56.242 55.300 0.007 0.000 1.044 637 M CB 0.592 33.188 32.600 -0.007 0.000 1.404 637 M HN 1.043 nan 8.290 nan 0.000 0.499 638 G N 0.849 109.655 108.800 0.010 0.000 2.594 638 G HA2 -0.092 3.900 3.960 0.054 0.000 0.217 638 G HA3 -0.092 3.900 3.960 0.054 0.000 0.217 638 G C -1.067 173.825 174.900 -0.014 0.000 1.163 638 G CA -0.083 45.019 45.100 0.004 0.000 1.074 638 G HN 0.835 nan 8.290 nan 0.000 0.589 639 E N -1.059 119.123 120.200 -0.029 0.000 2.433 639 E HA 0.682 5.064 4.350 0.054 0.000 0.278 639 E C -0.504 176.030 176.600 -0.111 0.000 0.976 639 E CA -0.723 55.638 56.400 -0.065 0.000 0.793 639 E CB 2.584 32.255 29.700 -0.048 0.000 1.311 639 E HN 1.560 nan 8.360 nan 0.000 0.460 640 V N -2.157 117.655 119.914 -0.171 0.000 3.126 640 V HA 0.765 4.917 4.120 0.054 0.000 0.314 640 V C -0.497 175.517 176.094 -0.133 0.000 1.138 640 V CA -0.730 61.446 62.300 -0.208 0.000 1.034 640 V CB 1.797 33.375 31.823 -0.408 0.000 1.075 640 V HN 0.754 nan 8.190 nan 0.000 0.442 641 T N 1.855 116.343 114.554 -0.110 0.000 2.792 641 T HA 0.782 5.165 4.350 0.054 0.000 0.280 641 T C 0.224 174.883 174.700 -0.067 0.000 0.990 641 T CA 0.256 62.313 62.100 -0.072 0.000 0.960 641 T CB 1.349 70.187 68.868 -0.051 0.000 0.939 641 T HN 1.337 nan 8.240 nan 0.000 0.439 642 A N 2.310 125.097 122.820 -0.055 0.000 2.346 642 A HA 0.327 4.680 4.320 0.054 0.000 0.255 642 A C 1.591 179.154 177.584 -0.034 0.000 1.113 642 A CA -0.201 51.808 52.037 -0.045 0.000 0.798 642 A CB 0.014 18.991 19.000 -0.039 0.000 1.073 642 A HN 0.926 nan 8.150 nan 0.000 0.502 643 D N 0.162 120.545 120.400 -0.029 0.000 2.158 643 D HA -0.217 4.455 4.640 0.054 0.000 0.197 643 D C 0.661 176.949 176.300 -0.021 0.000 0.995 643 D CA 1.736 55.723 54.000 -0.023 0.000 0.846 643 D CB -0.380 40.407 40.800 -0.021 0.000 0.941 643 D HN 0.619 nan 8.370 nan 0.000 0.456 644 D N -1.381 119.006 120.400 -0.022 0.000 2.358 644 D HA 0.215 4.887 4.640 0.054 0.000 0.224 644 D C 1.567 177.856 176.300 -0.019 0.000 1.123 644 D CA 0.334 54.323 54.000 -0.019 0.000 0.833 644 D CB -0.069 40.720 40.800 -0.018 0.000 0.946 644 D HN 0.409 nan 8.370 nan 0.000 0.505 645 G N -0.001 108.786 108.800 -0.022 0.000 2.199 645 G HA2 -0.278 3.715 3.960 0.054 0.000 0.254 645 G HA3 -0.278 3.715 3.960 0.054 0.000 0.254 645 G C 0.475 175.361 174.900 -0.024 0.000 0.982 645 G CA 0.268 45.355 45.100 -0.021 0.000 0.632 645 G HN 0.449 nan 8.290 nan 0.000 0.529 646 T N 1.465 116.004 114.554 -0.025 0.000 2.867 646 T HA 0.397 4.779 4.350 0.054 0.000 0.297 646 T C 0.625 175.305 174.700 -0.034 0.000 0.989 646 T CA 0.139 62.224 62.100 -0.026 0.000 1.159 646 T CB 2.097 70.950 68.868 -0.025 0.000 0.928 646 T HN 0.442 nan 8.240 nan 0.000 0.538 647 V N 5.556 125.452 119.914 -0.031 0.000 2.432 647 V HA 0.206 4.359 4.120 0.054 0.000 0.271 647 V C -0.201 175.869 176.094 -0.040 0.000 1.046 647 V CA -0.701 61.577 62.300 -0.038 0.000 0.945 647 V CB 0.790 32.595 31.823 -0.029 0.000 0.992 647 V HN 0.554 nan 8.190 nan 0.000 0.471 648 L N 9.073 130.262 121.223 -0.057 0.000 2.280 648 L HA 0.514 4.886 4.340 0.054 0.000 0.287 648 L C -2.215 174.618 176.870 -0.061 0.000 1.023 648 L CA -2.657 52.148 54.840 -0.057 0.000 0.819 648 L CB 1.258 43.272 42.059 -0.075 0.000 1.212 648 L HN 0.410 nan 8.230 nan 0.000 0.420 649 P HA 0.296 nan 4.420 nan 0.000 0.281 649 P C -0.252 177.029 177.300 -0.032 0.000 1.252 649 P CA -0.255 62.826 63.100 -0.033 0.000 0.778 649 P CB 1.041 32.730 31.700 -0.018 0.000 0.895 650 I N 2.438 122.990 120.570 -0.032 0.000 2.395 650 I HA 0.190 4.393 4.170 0.054 0.000 0.289 650 I C 1.595 177.702 176.117 -0.017 0.000 1.023 650 I CA -0.267 61.017 61.300 -0.026 0.000 1.350 650 I CB 1.351 39.344 38.000 -0.013 0.000 1.409 650 I HN 0.369 nan 8.210 nan 0.000 0.507 651 A N 5.293 128.105 122.820 -0.014 0.000 1.935 651 A HA 0.563 4.916 4.320 0.054 0.000 0.214 651 A C 0.947 178.526 177.584 -0.009 0.000 1.178 651 A CA 1.193 53.227 52.037 -0.005 0.000 0.640 651 A CB 0.024 19.029 19.000 0.007 0.000 0.825 651 A HN 0.798 nan 8.150 nan 0.000 0.447 652 A N -1.840 120.965 122.820 -0.026 0.000 2.601 652 A HA 0.573 4.926 4.320 0.054 0.000 0.291 652 A C -0.058 177.465 177.584 -0.102 0.000 1.075 652 A CA 0.073 52.091 52.037 -0.031 0.000 0.671 652 A CB -0.132 18.875 19.000 0.012 0.000 1.277 652 A HN 0.729 nan 8.150 nan 0.000 0.417 653 T N -1.329 113.157 114.554 -0.113 0.000 2.849 653 T HA 0.527 4.910 4.350 0.054 0.000 0.284 653 T C 0.995 175.612 174.700 -0.138 0.000 1.004 653 T CA 0.050 62.007 62.100 -0.239 0.000 1.021 653 T CB 0.027 68.805 68.868 -0.149 0.000 1.013 653 T HN 0.470 nan 8.240 nan 0.000 0.527 654 F N 0.734 120.698 119.950 0.024 0.000 2.087 654 F HA -0.100 4.459 4.527 0.054 0.000 0.299 654 F C 2.935 178.858 175.800 0.205 0.000 1.100 654 F CA 1.323 59.385 58.000 0.104 0.000 1.226 654 F CB -0.731 38.309 39.000 0.067 0.000 0.983 654 F HN 0.713 nan 8.300 nan 0.000 0.479 655 A N 0.114 123.090 122.820 0.259 0.000 1.970 655 A HA 0.080 4.432 4.320 0.054 0.000 0.216 655 A C 2.414 180.068 177.584 0.116 0.000 1.170 655 A CA 1.313 53.453 52.037 0.171 0.000 0.645 655 A CB -1.353 17.710 19.000 0.106 0.000 0.816 655 A HN 0.394 nan 8.150 nan 0.000 0.447 656 G N -0.880 107.972 108.800 0.087 0.000 2.448 656 G HA2 0.291 4.283 3.960 0.054 0.000 0.218 656 G HA3 0.291 4.283 3.960 0.054 0.000 0.218 656 G C 0.637 175.587 174.900 0.083 0.000 1.135 656 G CA 0.952 46.088 45.100 0.059 0.000 0.784 656 G HN 1.057 nan 8.290 nan 0.000 0.543 657 A N 0.743 123.647 122.820 0.140 0.000 3.030 657 A HA 0.701 5.053 4.320 0.054 0.000 0.335 657 A C -2.727 175.017 177.584 0.267 0.000 1.089 657 A CA -1.135 51.001 52.037 0.164 0.000 0.807 657 A CB 1.286 20.376 19.000 0.150 0.000 1.099 657 A HN 0.082 nan 8.150 nan 0.000 0.474 658 P HA 0.051 nan 4.420 nan 0.000 0.271 658 P C 1.379 178.535 177.300 -0.240 0.000 1.233 658 P CA 0.317 63.390 63.100 -0.044 0.000 0.789 658 P CB 0.782 32.431 31.700 -0.084 0.000 0.951 659 S N 1.002 116.189 115.700 -0.854 0.000 2.440 659 S HA -0.156 4.346 4.470 0.054 0.000 0.238 659 S C 1.780 176.238 174.600 -0.236 0.000 1.010 659 S CA 1.075 58.895 58.200 -0.634 0.000 0.972 659 S CB -1.357 61.339 63.200 -0.841 0.000 0.774 659 S HN 0.340 nan 8.310 nan 0.000 0.501 660 L N 1.787 122.878 121.223 -0.220 0.000 2.129 660 L HA -0.113 4.260 4.340 0.054 0.000 0.212 660 L C 2.924 179.630 176.870 -0.273 0.000 1.087 660 L CA 1.706 56.412 54.840 -0.223 0.000 0.757 660 L CB -1.394 40.510 42.059 -0.259 0.000 0.896 660 L HN 0.663 nan 8.230 nan 0.000 0.434 661 T N -3.389 111.077 114.554 -0.146 0.000 3.107 661 T HA 0.217 4.599 4.350 0.054 0.000 0.249 661 T C 0.374 175.172 174.700 0.164 0.000 1.096 661 T CA 0.139 62.237 62.100 -0.004 0.000 1.012 661 T CB -0.296 68.660 68.868 0.146 0.000 0.977 661 T HN 0.151 nan 8.240 nan 0.000 0.527 662 V N -2.518 117.450 119.914 0.089 0.000 3.113 662 V HA 0.580 4.733 4.120 0.054 0.000 0.316 662 V C -0.084 176.056 176.094 0.076 0.000 1.125 662 V CA -0.942 61.433 62.300 0.126 0.000 1.026 662 V CB 2.119 34.032 31.823 0.150 0.000 1.080 662 V HN -0.008 nan 8.190 nan 0.000 0.444 663 D N 0.923 121.372 120.400 0.081 0.000 2.366 663 D HA 0.487 5.160 4.640 0.054 0.000 0.205 663 D C 0.561 176.850 176.300 -0.018 0.000 1.022 663 D CA 1.494 55.517 54.000 0.038 0.000 0.868 663 D CB 1.472 42.316 40.800 0.074 0.000 0.953 663 D HN 0.983 nan 8.370 nan 0.000 0.514 664 A N 0.012 122.836 122.820 0.007 0.000 2.586 664 A HA 0.544 4.897 4.320 0.054 0.000 0.290 664 A C -1.619 175.982 177.584 0.029 0.000 1.086 664 A CA -0.542 51.485 52.037 -0.017 0.000 0.665 664 A CB 1.489 20.465 19.000 -0.040 0.000 1.279 664 A HN -0.109 nan 8.150 nan 0.000 0.423 665 V N 0.958 120.882 119.914 0.017 0.000 2.638 665 V HA 0.583 4.735 4.120 0.054 0.000 0.306 665 V C -0.786 175.313 176.094 0.009 0.000 1.052 665 V CA -0.201 62.124 62.300 0.041 0.000 0.885 665 V CB 1.559 33.424 31.823 0.070 0.000 0.999 665 V HN 0.693 nan 8.190 nan 0.000 0.424 666 I N 4.223 124.806 120.570 0.022 0.000 2.465 666 I HA 0.565 4.767 4.170 0.054 0.000 0.291 666 I C -0.875 175.269 176.117 0.044 0.000 1.014 666 I CA -0.976 60.361 61.300 0.063 0.000 1.093 666 I CB 2.296 40.363 38.000 0.112 0.000 1.267 666 I HN 0.266 nan 8.210 nan 0.000 0.431 667 V N 7.286 127.243 119.914 0.071 0.000 2.326 667 V HA 0.353 4.506 4.120 0.054 0.000 0.281 667 V C -2.175 173.979 176.094 0.099 0.000 1.015 667 V CA -1.666 60.666 62.300 0.052 0.000 0.823 667 V CB 1.246 33.078 31.823 0.015 0.000 1.009 667 V HN 0.554 nan 8.190 nan 0.000 0.436 668 P HA 0.366 nan 4.420 nan 0.000 0.276 668 P C -0.064 177.259 177.300 0.037 0.000 1.244 668 P CA -0.124 62.994 63.100 0.029 0.000 0.801 668 P CB 1.026 32.733 31.700 0.013 0.000 1.006 669 A N 0.950 123.768 122.820 -0.003 0.000 2.325 669 A HA 0.607 4.959 4.320 0.054 0.000 0.260 669 A C 0.894 178.486 177.584 0.014 0.000 1.133 669 A CA 0.869 52.910 52.037 0.006 0.000 0.801 669 A CB -1.043 17.939 19.000 -0.030 0.000 1.092 669 A HN 0.862 nan 8.150 nan 0.000 0.504 670 G N -0.795 108.012 108.800 0.013 0.000 2.292 670 G HA2 -0.082 3.910 3.960 0.054 0.000 0.194 670 G HA3 -0.082 3.910 3.960 0.054 0.000 0.194 670 G C -0.193 174.719 174.900 0.020 0.000 1.329 670 G CA -0.046 45.061 45.100 0.012 0.000 1.100 670 G HN 1.034 nan 8.290 nan 0.000 0.470 671 N N 1.633 120.351 118.700 0.029 0.000 2.971 671 N HA 0.113 4.885 4.740 0.054 0.000 0.294 671 N C 1.466 177.012 175.510 0.060 0.000 1.210 671 N CA -0.537 52.534 53.050 0.036 0.000 1.157 671 N CB -0.213 38.297 38.487 0.038 0.000 1.450 671 N HN 0.368 nan 8.380 nan 0.000 0.527 672 I N 1.437 122.033 120.570 0.042 0.000 2.423 672 I HA -0.223 3.979 4.170 0.054 0.000 0.254 672 I C 2.415 178.541 176.117 0.014 0.000 1.151 672 I CA 0.654 61.982 61.300 0.047 0.000 1.421 672 I CB -1.516 36.475 38.000 -0.016 0.000 1.079 672 I HN 0.418 nan 8.210 nan 0.000 0.431 673 A N 0.846 123.665 122.820 -0.001 0.000 2.024 673 A HA -0.282 4.070 4.320 0.054 0.000 0.220 673 A C 2.096 179.700 177.584 0.033 0.000 1.164 673 A CA 2.093 54.125 52.037 -0.009 0.000 0.643 673 A CB -0.710 18.286 19.000 -0.007 0.000 0.806 673 A HN 0.444 nan 8.150 nan 0.000 0.451 674 D N 0.406 120.853 120.400 0.079 0.000 2.123 674 D HA -0.153 4.519 4.640 0.054 0.000 0.196 674 D C 1.550 177.937 176.300 0.144 0.000 0.992 674 D CA 1.815 55.890 54.000 0.125 0.000 0.833 674 D CB -0.222 40.689 40.800 0.184 0.000 0.954 674 D HN 0.640 nan 8.370 nan 0.000 0.455 675 I N -3.891 116.785 120.570 0.176 0.000 4.082 675 I HA 0.489 4.692 4.170 0.054 0.000 0.337 675 I C 1.857 178.104 176.117 0.216 0.000 1.352 675 I CA -0.052 61.371 61.300 0.205 0.000 1.097 675 I CB 0.147 38.309 38.000 0.271 0.000 1.048 675 I HN -0.072 nan 8.210 nan 0.000 0.393 676 A N 1.512 124.381 122.820 0.082 0.000 2.024 676 A HA -0.145 4.208 4.320 0.054 0.000 0.220 676 A C 1.418 178.994 177.584 -0.014 0.000 1.164 676 A CA 1.882 53.855 52.037 -0.108 0.000 0.643 676 A CB -0.420 18.427 19.000 -0.255 0.000 0.806 676 A HN 0.524 nan 8.150 nan 0.000 0.451 677 D N -0.728 119.686 120.400 0.024 0.000 2.462 677 D HA 0.042 4.714 4.640 0.054 0.000 0.221 677 D C -0.171 176.155 176.300 0.044 0.000 1.173 677 D CA -0.217 53.797 54.000 0.024 0.000 0.831 677 D CB -0.196 40.607 40.800 0.005 0.000 1.001 677 D HN 0.314 nan 8.370 nan 0.000 0.499 678 N N 1.229 119.969 118.700 0.067 0.000 2.401 678 N HA 0.032 4.805 4.740 0.054 0.000 0.255 678 N C 1.435 176.973 175.510 0.045 0.000 1.110 678 N CA 0.013 53.096 53.050 0.055 0.000 0.949 678 N CB 1.317 39.841 38.487 0.061 0.000 1.110 678 N HN 0.027 nan 8.380 nan 0.000 0.490 679 G N 3.574 112.403 108.800 0.047 0.000 2.513 679 G HA2 -0.306 3.686 3.960 0.054 0.000 0.219 679 G HA3 -0.306 3.686 3.960 0.054 0.000 0.219 679 G C 0.972 175.916 174.900 0.073 0.000 1.160 679 G CA 0.771 45.903 45.100 0.053 0.000 0.767 679 G HN 0.592 nan 8.290 nan 0.000 0.571 680 D N 0.736 121.180 120.400 0.074 0.000 2.117 680 D HA 0.032 4.705 4.640 0.054 0.000 0.198 680 D C 2.831 179.111 176.300 -0.033 0.000 0.982 680 D CA 1.197 55.271 54.000 0.124 0.000 0.828 680 D CB -0.530 40.414 40.800 0.239 0.000 0.967 680 D HN 0.321 nan 8.370 nan 0.000 0.464 681 A N 1.114 123.734 122.820 -0.333 0.000 1.902 681 A HA -0.182 4.170 4.320 0.054 0.000 0.217 681 A C 2.020 179.376 177.584 -0.381 0.000 1.181 681 A CA 1.235 52.820 52.037 -0.752 0.000 0.623 681 A CB -0.480 17.964 19.000 -0.927 0.000 0.818 681 A HN 0.144 nan 8.150 nan 0.000 0.443 682 N N -1.457 117.176 118.700 -0.110 0.000 2.084 682 N HA -0.191 4.581 4.740 0.054 0.000 0.190 682 N C 1.702 177.197 175.510 -0.025 0.000 1.030 682 N CA 1.799 54.845 53.050 -0.007 0.000 0.849 682 N CB -0.477 38.084 38.487 0.123 0.000 1.012 682 N HN 0.684 nan 8.380 nan 0.000 0.423 683 Y N 0.625 120.889 120.300 -0.061 0.000 2.224 683 Y HA -0.291 4.291 4.550 0.054 0.000 0.289 683 Y C 2.399 178.252 175.900 -0.078 0.000 1.146 683 Y CA 1.332 59.395 58.100 -0.060 0.000 1.182 683 Y CB -0.385 38.047 38.460 -0.046 0.000 0.983 683 Y HN 0.033 nan 8.280 nan 0.000 0.524 684 Y N -0.026 120.127 120.300 -0.245 0.000 2.102 684 Y HA -0.340 4.242 4.550 0.054 0.000 0.280 684 Y C 2.110 177.808 175.900 -0.337 0.000 1.178 684 Y CA 1.864 59.795 58.100 -0.281 0.000 1.146 684 Y CB -0.386 37.917 38.460 -0.261 0.000 0.968 684 Y HN 0.114 nan 8.280 nan 0.000 0.504 685 L N -0.835 120.307 121.223 -0.135 0.000 2.179 685 L HA -0.195 4.178 4.340 0.054 0.000 0.208 685 L C 2.258 179.010 176.870 -0.198 0.000 1.096 685 L CA 1.513 56.263 54.840 -0.151 0.000 0.779 685 L CB -1.281 40.658 42.059 -0.201 0.000 0.922 685 L HN 0.412 nan 8.230 nan 0.000 0.443 686 M N -0.540 118.886 119.600 -0.289 0.000 2.117 686 M HA -0.216 4.296 4.480 0.054 0.000 0.262 686 M C 2.161 178.213 176.300 -0.414 0.000 1.065 686 M CA 1.548 56.674 55.300 -0.290 0.000 1.114 686 M CB -0.316 32.117 32.600 -0.279 0.000 1.361 686 M HN 0.229 nan 8.290 nan 0.000 0.408 687 E N 0.600 120.356 120.200 -0.739 0.000 2.051 687 E HA -0.190 4.193 4.350 0.054 0.000 0.192 687 E C 1.998 178.225 176.600 -0.623 0.000 0.991 687 E CA 1.347 57.273 56.400 -0.790 0.000 0.799 687 E CB 0.012 29.198 29.700 -0.857 0.000 0.748 687 E HN 0.469 nan 8.360 nan 0.000 0.449 688 A N 0.223 122.801 122.820 -0.403 0.000 1.933 688 A HA -0.208 4.145 4.320 0.054 0.000 0.218 688 A C 2.027 179.504 177.584 -0.178 0.000 1.175 688 A CA 1.464 53.359 52.037 -0.236 0.000 0.628 688 A CB -0.877 18.045 19.000 -0.130 0.000 0.814 688 A HN 0.560 nan 8.150 nan 0.000 0.444 689 Y N 0.474 120.612 120.300 -0.270 0.000 2.145 689 Y HA -0.194 4.388 4.550 0.054 0.000 0.286 689 Y C 2.394 178.168 175.900 -0.210 0.000 1.145 689 Y CA 2.313 60.287 58.100 -0.209 0.000 1.148 689 Y CB -0.237 38.119 38.460 -0.174 0.000 0.981 689 Y HN 0.308 nan 8.280 nan 0.000 0.507 690 K N -0.665 119.612 120.400 -0.204 0.000 2.103 690 K HA -0.228 4.124 4.320 0.054 0.000 0.207 690 K C 1.262 177.748 176.600 -0.191 0.000 1.048 690 K CA 2.032 58.174 56.287 -0.243 0.000 0.930 690 K CB -0.433 31.870 32.500 -0.328 0.000 0.716 690 K HN 0.581 nan 8.250 nan 0.000 0.444 691 H N 0.241 119.194 119.070 -0.195 0.000 2.547 691 H HA 0.149 4.737 4.556 0.054 0.000 0.274 691 H C 0.029 175.196 175.328 -0.268 0.000 1.024 691 H CA 0.282 56.210 56.048 -0.199 0.000 1.155 691 H CB 0.078 29.720 29.762 -0.200 0.000 1.344 691 H HN 0.135 nan 8.280 nan 0.000 0.598 692 L N -0.279 120.794 121.223 -0.249 0.000 4.351 692 L HA -0.267 4.105 4.340 0.054 0.000 0.410 692 L C -0.258 176.349 176.870 -0.438 0.000 1.150 692 L CA 0.528 55.125 54.840 -0.404 0.000 0.961 692 L CB -1.775 40.023 42.059 -0.435 0.000 2.130 692 L HN 0.268 nan 8.230 nan 0.000 0.787 693 K N 0.790 121.003 120.400 -0.313 0.000 2.144 693 K HA 0.465 4.818 4.320 0.054 0.000 0.270 693 K C -2.133 174.330 176.600 -0.229 0.000 1.005 693 K CA -1.716 54.407 56.287 -0.273 0.000 0.932 693 K CB 0.648 33.044 32.500 -0.172 0.000 1.021 693 K HN -0.212 nan 8.250 nan 0.000 0.462 694 P HA 0.085 nan 4.420 nan 0.000 0.268 694 P C -0.790 176.444 177.300 -0.109 0.000 1.205 694 P CA 0.315 63.314 63.100 -0.168 0.000 0.771 694 P CB 0.486 32.086 31.700 -0.167 0.000 0.858 695 I N 1.666 122.186 120.570 -0.084 0.000 2.582 695 I HA 0.627 4.829 4.170 0.054 0.000 0.292 695 I C -0.451 175.620 176.117 -0.076 0.000 1.066 695 I CA -0.835 60.435 61.300 -0.050 0.000 1.053 695 I CB 2.242 40.241 38.000 -0.001 0.000 1.241 695 I HN 0.264 nan 8.210 nan 0.000 0.421 696 A N 7.451 130.231 122.820 -0.067 0.000 2.356 696 A HA 0.898 5.250 4.320 0.054 0.000 0.310 696 A C -1.198 176.472 177.584 0.143 0.000 1.075 696 A CA -0.438 51.537 52.037 -0.104 0.000 0.746 696 A CB 1.086 19.851 19.000 -0.392 0.000 1.221 696 A HN 0.649 nan 8.150 nan 0.000 0.443 697 L N 2.012 123.378 121.223 0.239 0.000 2.356 697 L HA 0.753 5.125 4.340 0.054 0.000 0.277 697 L C 0.219 177.295 176.870 0.342 0.000 0.996 697 L CA -0.575 54.422 54.840 0.263 0.000 0.822 697 L CB 2.033 44.197 42.059 0.175 0.000 1.256 697 L HN 0.780 nan 8.230 nan 0.000 0.413 698 A N 2.170 125.102 122.820 0.187 0.000 2.330 698 A HA 0.866 5.218 4.320 0.054 0.000 0.327 698 A C 0.603 178.175 177.584 -0.019 0.000 1.155 698 A CA 0.235 52.249 52.037 -0.038 0.000 0.803 698 A CB 1.226 19.977 19.000 -0.415 0.000 1.208 698 A HN 0.992 nan 8.150 nan 0.000 0.477 699 G N 1.810 110.590 108.800 -0.033 0.000 2.611 699 G HA2 -0.339 3.653 3.960 0.054 0.000 0.301 699 G HA3 -0.339 3.653 3.960 0.054 0.000 0.301 699 G C 0.578 175.480 174.900 0.004 0.000 1.233 699 G CA 0.879 45.967 45.100 -0.021 0.000 0.993 699 G HN 0.699 nan 8.290 nan 0.000 0.553 700 D N 1.185 121.584 120.400 -0.003 0.000 2.310 700 D HA 0.174 4.846 4.640 0.054 0.000 0.212 700 D C 2.686 178.989 176.300 0.004 0.000 0.965 700 D CA 1.607 55.600 54.000 -0.012 0.000 0.879 700 D CB -0.708 40.078 40.800 -0.024 0.000 0.921 700 D HN 0.794 nan 8.370 nan 0.000 0.510 701 A N 0.728 123.591 122.820 0.073 0.000 2.084 701 A HA -0.218 4.134 4.320 0.054 0.000 0.221 701 A C 2.041 179.736 177.584 0.184 0.000 1.161 701 A CA 0.979 53.136 52.037 0.200 0.000 0.653 701 A CB -0.497 18.637 19.000 0.223 0.000 0.802 701 A HN 0.171 nan 8.150 nan 0.000 0.457 702 R N -0.325 120.230 120.500 0.092 0.000 2.249 702 R HA -0.112 4.260 4.340 0.054 0.000 0.230 702 R C 1.808 178.113 176.300 0.009 0.000 1.121 702 R CA 1.201 57.340 56.100 0.064 0.000 0.997 702 R CB -0.194 30.132 30.300 0.044 0.000 0.867 702 R HN 0.509 nan 8.270 nan 0.000 0.465 703 K N -0.201 120.158 120.400 -0.069 0.000 2.211 703 K HA -0.136 4.216 4.320 0.054 0.000 0.204 703 K C 1.366 177.836 176.600 -0.217 0.000 1.047 703 K CA 1.205 57.383 56.287 -0.181 0.000 0.935 703 K CB -0.076 32.241 32.500 -0.304 0.000 0.728 703 K HN 0.203 nan 8.250 nan 0.000 0.452 704 F N 1.333 121.258 119.950 -0.041 0.000 2.699 704 F HA -0.063 4.497 4.527 0.054 0.000 0.298 704 F C 1.997 177.748 175.800 -0.081 0.000 1.154 704 F CA 0.698 58.661 58.000 -0.061 0.000 1.457 704 F CB 0.029 38.992 39.000 -0.062 0.000 1.106 704 F HN -0.067 nan 8.300 nan 0.000 0.585 705 K N 0.281 120.721 120.400 0.066 0.000 2.152 705 K HA -0.202 4.151 4.320 0.054 0.000 0.206 705 K C 2.328 178.899 176.600 -0.048 0.000 1.048 705 K CA 1.151 57.433 56.287 -0.008 0.000 0.933 705 K CB -0.308 32.183 32.500 -0.014 0.000 0.721 705 K HN 0.269 nan 8.250 nan 0.000 0.447 706 A N 0.315 123.110 122.820 -0.042 0.000 1.933 706 A HA -0.171 4.181 4.320 0.054 0.000 0.218 706 A C 2.198 179.752 177.584 -0.050 0.000 1.175 706 A CA 2.054 54.059 52.037 -0.052 0.000 0.628 706 A CB -0.857 18.109 19.000 -0.057 0.000 0.814 706 A HN 0.298 nan 8.150 nan 0.000 0.444 707 T N 0.163 114.707 114.554 -0.017 0.000 2.881 707 T HA -0.061 4.322 4.350 0.054 0.000 0.270 707 T C 1.304 175.948 174.700 -0.093 0.000 1.068 707 T CA 1.511 63.604 62.100 -0.012 0.000 1.131 707 T CB -0.553 68.359 68.868 0.073 0.000 0.871 707 T HN 0.620 nan 8.240 nan 0.000 0.479 708 I N -2.530 117.932 120.570 -0.180 0.000 3.914 708 I HA 0.474 4.676 4.170 0.054 0.000 0.333 708 I C 0.162 176.037 176.117 -0.405 0.000 1.449 708 I CA -0.542 60.516 61.300 -0.403 0.000 1.135 708 I CB -0.072 37.503 38.000 -0.709 0.000 1.073 708 I HN -0.060 nan 8.210 nan 0.000 0.401 709 K N 1.744 122.021 120.400 -0.206 0.000 3.096 709 K HA -0.102 4.250 4.320 0.054 0.000 0.266 709 K C -0.389 176.135 176.600 -0.127 0.000 1.043 709 K CA 0.420 56.627 56.287 -0.134 0.000 0.758 709 K CB -1.177 31.266 32.500 -0.095 0.000 1.260 709 K HN 0.390 nan 8.250 nan 0.000 0.481 710 I N 0.845 121.336 120.570 -0.133 0.000 2.395 710 I HA 0.285 4.487 4.170 0.054 0.000 0.289 710 I C 1.418 177.510 176.117 -0.041 0.000 1.023 710 I CA -0.527 60.724 61.300 -0.082 0.000 1.350 710 I CB 0.631 38.583 38.000 -0.080 0.000 1.409 710 I HN 0.273 nan 8.210 nan 0.000 0.507 711 A N 4.924 127.732 122.820 -0.019 0.000 2.366 711 A HA 0.134 4.486 4.320 0.054 0.000 0.250 711 A C 0.969 178.548 177.584 -0.009 0.000 1.099 711 A CA -0.175 51.855 52.037 -0.011 0.000 0.794 711 A CB 0.142 19.140 19.000 -0.003 0.000 1.056 711 A HN 0.743 nan 8.150 nan 0.000 0.499 712 D N -0.191 120.205 120.400 -0.007 0.000 2.144 712 D HA -0.149 4.524 4.640 0.054 0.000 0.200 712 D C 2.056 178.357 176.300 0.001 0.000 0.978 712 D CA 1.821 55.818 54.000 -0.005 0.000 0.833 712 D CB -0.123 40.674 40.800 -0.006 0.000 0.961 712 D HN 0.774 nan 8.370 nan 0.000 0.470 713 Q N 0.463 120.264 119.800 0.002 0.000 2.515 713 Q HA 0.115 4.487 4.340 0.054 0.000 0.212 713 Q C 0.927 176.931 176.000 0.007 0.000 0.970 713 Q CA 0.811 56.617 55.803 0.005 0.000 0.941 713 Q CB -0.072 28.669 28.738 0.005 0.000 0.998 713 Q HN 0.094 nan 8.270 nan 0.000 0.518 714 G N 1.513 110.316 108.800 0.006 0.000 2.782 714 G HA2 -0.272 3.720 3.960 0.054 0.000 0.228 714 G HA3 -0.272 3.720 3.960 0.054 0.000 0.228 714 G C -0.946 173.960 174.900 0.010 0.000 1.372 714 G CA -0.116 44.989 45.100 0.008 0.000 0.862 714 G HN 0.700 nan 8.290 nan 0.000 0.547 715 E N -1.078 119.130 120.200 0.013 0.000 2.392 715 E HA 0.561 4.943 4.350 0.054 0.000 0.279 715 E C -0.893 175.707 176.600 0.000 0.000 0.964 715 E CA -1.080 55.328 56.400 0.015 0.000 0.777 715 E CB 1.377 31.100 29.700 0.038 0.000 1.249 715 E HN 0.390 nan 8.360 nan 0.000 0.449 716 E N 0.642 120.834 120.200 -0.013 0.000 2.417 716 E HA 0.231 4.613 4.350 0.054 0.000 0.261 716 E C 0.815 177.378 176.600 -0.062 0.000 1.000 716 E CA 1.571 57.948 56.400 -0.039 0.000 0.919 716 E CB 0.964 30.639 29.700 -0.042 0.000 0.955 716 E HN 0.918 nan 8.360 nan 0.000 0.455 717 G N 3.043 111.793 108.800 -0.084 0.000 2.195 717 G HA2 -0.196 3.796 3.960 0.054 0.000 0.224 717 G HA3 -0.196 3.796 3.960 0.054 0.000 0.224 717 G C 0.117 174.970 174.900 -0.079 0.000 0.990 717 G CA -0.382 44.648 45.100 -0.116 0.000 0.639 717 G HN 0.405 nan 8.290 nan 0.000 0.514 718 I N 2.122 122.668 120.570 -0.041 0.000 2.382 718 I HA 0.465 4.668 4.170 0.054 0.000 0.285 718 I C 0.429 176.508 176.117 -0.063 0.000 1.007 718 I CA -1.184 60.100 61.300 -0.026 0.000 1.142 718 I CB 1.288 39.302 38.000 0.023 0.000 1.289 718 I HN -0.102 nan 8.210 nan 0.000 0.453 719 V N 7.480 127.316 119.914 -0.130 0.000 2.498 719 V HA 0.395 4.548 4.120 0.054 0.000 0.279 719 V C 0.240 176.272 176.094 -0.104 0.000 1.048 719 V CA -0.382 61.795 62.300 -0.205 0.000 0.967 719 V CB 1.267 32.806 31.823 -0.473 0.000 0.988 719 V HN 0.864 nan 8.190 nan 0.000 0.473 720 E N 4.152 124.373 120.200 0.035 0.000 2.372 720 E HA 0.874 5.257 4.350 0.054 0.000 0.279 720 E C -1.042 175.710 176.600 0.253 0.000 0.946 720 E CA -0.973 55.547 56.400 0.200 0.000 0.769 720 E CB 2.517 32.282 29.700 0.108 0.000 1.230 720 E HN 0.838 nan 8.360 nan 0.000 0.442 721 A N 1.761 124.749 122.820 0.280 0.000 2.544 721 A HA 0.336 4.688 4.320 0.054 0.000 0.291 721 A C -0.597 177.007 177.584 0.034 0.000 1.055 721 A CA -0.604 51.528 52.037 0.159 0.000 0.651 721 A CB 1.138 20.273 19.000 0.226 0.000 1.296 721 A HN 0.612 nan 8.150 nan 0.000 0.431 722 D N 0.496 120.893 120.400 -0.005 0.000 2.178 722 D HA 0.034 4.706 4.640 0.054 0.000 0.202 722 D C 1.073 177.312 176.300 -0.102 0.000 0.974 722 D CA 2.238 56.214 54.000 -0.039 0.000 0.841 722 D CB 0.116 40.898 40.800 -0.029 0.000 0.953 722 D HN 0.779 nan 8.370 nan 0.000 0.478 723 S N -1.586 114.015 115.700 -0.165 0.000 2.618 723 S HA 0.644 5.147 4.470 0.054 0.000 0.277 723 S C -0.103 174.177 174.600 -0.534 0.000 1.138 723 S CA -0.563 57.481 58.200 -0.260 0.000 0.844 723 S CB 2.160 65.264 63.200 -0.159 0.000 1.127 723 S HN -0.052 nan 8.310 nan 0.000 0.474 724 A N 0.710 123.154 122.820 -0.626 0.000 2.503 724 A HA 0.437 4.789 4.320 0.054 0.000 0.263 724 A C 0.220 177.611 177.584 -0.322 0.000 1.360 724 A CA 0.101 51.580 52.037 -0.930 0.000 0.969 724 A CB -1.086 17.500 19.000 -0.691 0.000 1.000 724 A HN 0.774 nan 8.150 nan 0.000 0.530 725 D N -2.057 118.243 120.400 -0.167 0.000 3.808 725 D HA 0.456 5.128 4.640 0.054 0.000 0.179 725 D C 1.616 177.947 176.300 0.052 0.000 1.365 725 D CA 0.966 54.967 54.000 0.001 0.000 1.305 725 D CB -0.385 40.432 40.800 0.029 0.000 1.303 725 D HN 0.386 nan 8.370 nan 0.000 0.438 726 G N 0.491 109.312 108.800 0.036 0.000 2.693 726 G HA2 -0.357 3.635 3.960 0.054 0.000 0.354 726 G HA3 -0.357 3.635 3.960 0.054 0.000 0.354 726 G C 0.995 175.942 174.900 0.079 0.000 1.207 726 G CA 2.571 47.699 45.100 0.047 0.000 0.958 726 G HN 0.908 nan 8.290 nan 0.000 0.560 727 S N 0.055 115.810 115.700 0.091 0.000 2.575 727 S HA 0.356 4.858 4.470 0.054 0.000 0.215 727 S C 1.787 176.463 174.600 0.127 0.000 0.966 727 S CA 0.984 59.235 58.200 0.085 0.000 0.911 727 S CB 0.012 63.245 63.200 0.054 0.000 0.780 727 S HN 0.819 nan 8.310 nan 0.000 0.514 728 F N 2.550 122.498 119.950 -0.003 0.000 2.102 728 F HA -0.006 4.553 4.527 0.054 0.000 0.298 728 F C 2.180 177.977 175.800 -0.005 0.000 1.105 728 F CA 1.570 59.568 58.000 -0.004 0.000 1.239 728 F CB -0.201 38.798 39.000 -0.002 0.000 0.991 728 F HN 0.155 nan 8.300 nan 0.000 0.474 729 M N 0.044 119.797 119.600 0.255 0.000 2.200 729 M HA -0.134 4.378 4.480 0.054 0.000 0.265 729 M C 1.723 178.027 176.300 0.006 0.000 1.066 729 M CA 1.164 56.527 55.300 0.105 0.000 1.127 729 M CB -1.287 31.404 32.600 0.152 0.000 1.379 729 M HN 0.119 nan 8.290 nan 0.000 0.420 730 D N 0.800 121.213 120.400 0.023 0.000 2.123 730 D HA -0.158 4.514 4.640 0.054 0.000 0.196 730 D C 1.952 178.228 176.300 -0.039 0.000 0.992 730 D CA 1.210 55.208 54.000 -0.003 0.000 0.833 730 D CB -0.135 40.671 40.800 0.010 0.000 0.954 730 D HN 0.487 nan 8.370 nan 0.000 0.455 731 E N 0.301 120.463 120.200 -0.064 0.000 2.077 731 E HA -0.120 4.262 4.350 0.054 0.000 0.193 731 E C 2.171 178.686 176.600 -0.142 0.000 0.989 731 E CA 0.178 56.517 56.400 -0.101 0.000 0.800 731 E CB -0.058 29.567 29.700 -0.125 0.000 0.746 731 E HN 0.175 nan 8.360 nan 0.000 0.452 732 L N 1.082 122.182 121.223 -0.205 0.000 2.017 732 L HA -0.174 4.198 4.340 0.054 0.000 0.208 732 L C 2.110 178.909 176.870 -0.119 0.000 1.073 732 L CA 1.361 56.079 54.840 -0.203 0.000 0.745 732 L CB -0.352 41.548 42.059 -0.264 0.000 0.894 732 L HN 0.224 nan 8.230 nan 0.000 0.432 733 L N -0.212 120.962 121.223 -0.081 0.000 2.141 733 L HA -0.144 4.229 4.340 0.054 0.000 0.209 733 L C 2.607 179.450 176.870 -0.044 0.000 1.094 733 L CA 1.546 56.356 54.840 -0.049 0.000 0.763 733 L CB -1.797 40.245 42.059 -0.029 0.000 0.908 733 L HN 0.265 nan 8.230 nan 0.000 0.437 734 T N -0.034 114.491 114.554 -0.049 0.000 2.746 734 T HA -0.138 4.244 4.350 0.054 0.000 0.267 734 T C 2.118 176.785 174.700 -0.055 0.000 1.039 734 T CA 0.960 63.036 62.100 -0.040 0.000 1.142 734 T CB -0.131 68.715 68.868 -0.037 0.000 0.866 734 T HN 0.199 nan 8.240 nan 0.000 0.444 735 L N 0.192 121.363 121.223 -0.086 0.000 2.046 735 L HA -0.059 4.314 4.340 0.054 0.000 0.208 735 L C 2.666 179.470 176.870 -0.110 0.000 1.077 735 L CA 1.273 56.042 54.840 -0.119 0.000 0.747 735 L CB -0.513 41.455 42.059 -0.151 0.000 0.896 735 L HN 0.305 nan 8.230 nan 0.000 0.432 736 M N -0.778 118.774 119.600 -0.080 0.000 2.175 736 M HA -0.150 4.362 4.480 0.054 0.000 0.264 736 M C 2.445 178.745 176.300 0.000 0.000 1.063 736 M CA 1.635 56.905 55.300 -0.049 0.000 1.119 736 M CB -0.429 32.151 32.600 -0.032 0.000 1.377 736 M HN 0.302 nan 8.290 nan 0.000 0.415 737 A N 0.235 123.057 122.820 0.003 0.000 2.019 737 A HA 0.039 4.391 4.320 0.054 0.000 0.219 737 A C 2.105 179.733 177.584 0.073 0.000 1.164 737 A CA 1.677 53.737 52.037 0.039 0.000 0.644 737 A CB -0.636 18.381 19.000 0.027 0.000 0.805 737 A HN 0.498 nan 8.150 nan 0.000 0.449 738 A N -2.546 120.295 122.820 0.035 0.000 2.307 738 A HA 0.364 4.716 4.320 0.054 0.000 0.218 738 A C 0.920 178.533 177.584 0.047 0.000 1.228 738 A CA 1.179 53.252 52.037 0.058 0.000 0.857 738 A CB -0.500 18.489 19.000 -0.018 0.000 0.897 738 A HN 0.941 nan 8.150 nan 0.000 0.495 739 H N -1.152 117.868 119.070 -0.083 0.000 4.884 739 H HA -0.193 4.395 4.556 0.054 0.000 0.061 739 H C 0.064 175.183 175.328 -0.349 0.000 0.590 739 H CA 2.429 58.412 56.048 -0.109 0.000 0.961 739 H CB -0.571 29.239 29.762 0.081 0.000 0.443 739 H HN 0.463 nan 8.280 nan 0.000 0.794 740 R N -0.374 119.558 120.500 -0.948 0.000 2.836 740 R HA 0.618 4.991 4.340 0.054 0.000 0.269 740 R C -0.703 174.738 176.300 -1.431 0.000 1.010 740 R CA -0.302 54.987 56.100 -1.352 0.000 0.930 740 R CB 1.761 30.899 30.300 -1.937 0.000 1.218 740 R HN 0.071 nan 8.270 nan 0.000 0.473 741 V N 2.362 121.648 119.914 -1.045 0.000 2.221 741 V HA 0.120 4.272 4.120 0.054 0.000 0.258 741 V C 0.563 176.261 176.094 -0.659 0.000 1.179 741 V CA -0.411 61.458 62.300 -0.719 0.000 1.022 741 V CB -0.160 31.389 31.823 -0.457 0.000 1.228 741 V HN 0.714 nan 8.190 nan 0.000 0.487 742 W N 1.539 122.549 121.300 -0.483 0.000 2.425 742 W HA -0.136 4.556 4.660 0.054 0.000 0.277 742 W C 2.478 178.769 176.519 -0.379 0.000 1.231 742 W CA 0.775 57.738 57.345 -0.637 0.000 1.248 742 W CB -0.331 28.314 29.460 -1.358 0.000 1.117 742 W HN 0.647 nan 8.180 nan 0.000 0.568 743 S N 0.693 116.331 115.700 -0.104 0.000 2.547 743 S HA -0.126 4.377 4.470 0.054 0.000 0.235 743 S C 1.699 176.257 174.600 -0.070 0.000 0.980 743 S CA 0.789 58.957 58.200 -0.053 0.000 0.941 743 S CB -0.376 62.794 63.200 -0.051 0.000 0.763 743 S HN 0.416 nan 8.310 nan 0.000 0.532 744 R N 0.736 121.153 120.500 -0.139 0.000 2.240 744 R HA 0.241 4.613 4.340 0.054 0.000 0.203 744 R C 1.825 178.057 176.300 -0.114 0.000 1.011 744 R CA 0.474 56.472 56.100 -0.171 0.000 1.007 744 R CB -0.348 29.743 30.300 -0.349 0.000 0.911 744 R HN 0.476 nan 8.270 nan 0.000 0.468 745 I N 1.904 122.445 120.570 -0.049 0.000 2.113 745 I HA -0.248 3.955 4.170 0.054 0.000 0.242 745 I C -0.758 175.382 176.117 0.038 0.000 1.064 745 I CA 1.423 62.738 61.300 0.025 0.000 1.320 745 I CB -1.151 36.913 38.000 0.106 0.000 1.028 745 I HN 0.165 nan 8.210 nan 0.000 0.406 746 P HA -0.180 nan 4.420 nan 0.000 0.218 746 P C 1.119 178.448 177.300 0.049 0.000 1.148 746 P CA 1.526 64.655 63.100 0.048 0.000 0.822 746 P CB -0.149 31.577 31.700 0.043 0.000 0.784 747 K N -0.383 120.042 120.400 0.040 0.000 2.366 747 K HA 0.040 4.393 4.320 0.054 0.000 0.198 747 K C 2.052 178.718 176.600 0.110 0.000 1.044 747 K CA 0.862 57.199 56.287 0.083 0.000 0.973 747 K CB -0.441 32.138 32.500 0.131 0.000 0.767 747 K HN 0.324 nan 8.250 nan 0.000 0.475 748 I N -1.351 119.252 120.570 0.054 0.000 2.761 748 I HA -0.084 4.118 4.170 0.054 0.000 0.261 748 I C 1.026 177.191 176.117 0.079 0.000 1.198 748 I CA 1.191 62.530 61.300 0.065 0.000 1.482 748 I CB -0.113 37.878 38.000 -0.015 0.000 1.100 748 I HN -0.161 nan 8.210 nan 0.000 0.445 749 D N 1.887 122.333 120.400 0.075 0.000 2.263 749 D HA -0.119 4.553 4.640 0.054 0.000 0.208 749 D C 1.942 178.283 176.300 0.069 0.000 0.971 749 D CA 1.057 55.102 54.000 0.075 0.000 0.867 749 D CB 0.037 40.882 40.800 0.075 0.000 0.929 749 D HN 0.336 nan 8.370 nan 0.000 0.492 750 K N 0.170 120.611 120.400 0.069 0.000 2.243 750 K HA 0.144 4.497 4.320 0.054 0.000 0.201 750 K C 0.970 177.604 176.600 0.056 0.000 1.051 750 K CA -0.057 56.265 56.287 0.059 0.000 0.970 750 K CB 0.308 32.840 32.500 0.054 0.000 0.755 750 K HN 0.192 nan 8.250 nan 0.000 0.465 751 I N 3.058 123.670 120.570 0.071 0.000 2.471 751 I HA 0.145 4.348 4.170 0.054 0.000 0.286 751 I C -2.243 173.908 176.117 0.056 0.000 1.079 751 I CA -2.097 59.238 61.300 0.059 0.000 1.398 751 I CB 0.934 38.982 38.000 0.079 0.000 1.403 751 I HN -0.006 nan 8.210 nan 0.000 0.530 752 P HA 0.330 nan 4.420 nan 0.000 0.260 752 P C -0.886 176.475 177.300 0.102 0.000 1.651 752 P CA -0.018 63.120 63.100 0.064 0.000 1.139 752 P CB 0.397 32.128 31.700 0.051 0.000 1.756 753 A N 0.000 122.885 122.820 0.108 0.000 2.254 753 A HA 0.000 4.352 4.320 0.054 0.000 0.244 753 A CA 0.000 52.157 52.037 0.199 0.000 0.836 753 A CB 0.000 19.025 19.000 0.041 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486