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 3pq7_1_A 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 0.000 174.572 174.600 -0.047 0.000 1.055 28 S CA 0.000 58.179 58.200 -0.034 0.000 1.107 28 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 29 L N -0.464 120.722 121.223 -0.061 0.000 2.301 29 L HA 1.093 5.471 4.340 0.064 0.000 0.249 29 L C 0.363 177.149 176.870 -0.140 0.000 1.069 29 L CA -0.964 53.822 54.840 -0.090 0.000 0.865 29 L CB -0.126 41.888 42.059 -0.075 0.000 1.467 29 L HN 0.215 nan 8.230 nan 0.000 0.419 30 A N 0.377 123.052 122.820 -0.241 0.000 2.466 30 A HA 0.578 4.937 4.320 0.064 0.000 0.238 30 A C -2.099 175.331 177.584 -0.257 0.000 1.074 30 A CA -0.583 51.174 52.037 -0.466 0.000 0.774 30 A CB -1.201 17.265 19.000 -0.891 0.000 1.015 30 A HN 0.706 nan 8.150 nan 0.000 0.498 31 P HA 0.096 nan 4.420 nan 0.000 0.271 31 P C 0.237 177.519 177.300 -0.029 0.000 1.216 31 P CA -0.022 63.045 63.100 -0.055 0.000 0.776 31 P CB 0.765 32.473 31.700 0.014 0.000 0.881 32 E N 1.488 121.681 120.200 -0.013 0.000 2.209 32 E HA -0.238 4.151 4.350 0.064 0.000 0.196 32 E C 1.067 177.687 176.600 0.034 0.000 0.993 32 E CA 1.570 57.974 56.400 0.006 0.000 0.819 32 E CB -0.095 29.606 29.700 0.001 0.000 0.745 32 E HN 0.505 nan 8.360 nan 0.000 0.477 33 D N -1.479 118.948 120.400 0.044 0.000 2.363 33 D HA -0.003 4.675 4.640 0.064 0.000 0.226 33 D C 1.345 177.693 176.300 0.080 0.000 1.020 33 D CA 0.841 54.871 54.000 0.051 0.000 0.892 33 D CB -0.168 40.654 40.800 0.038 0.000 0.900 33 D HN 0.247 nan 8.370 nan 0.000 0.531 34 G N 0.289 109.179 108.800 0.151 0.000 2.184 34 G HA2 -0.376 3.623 3.960 0.064 0.000 0.264 34 G HA3 -0.376 3.623 3.960 0.064 0.000 0.264 34 G C 1.131 176.114 174.900 0.138 0.000 0.975 34 G CA 0.973 46.196 45.100 0.204 0.000 0.642 34 G HN 0.731 nan 8.290 nan 0.000 0.536 35 S N 0.146 115.938 115.700 0.153 0.000 2.547 35 S HA -0.021 4.488 4.470 0.064 0.000 0.235 35 S C 1.779 176.426 174.600 0.080 0.000 0.980 35 S CA 1.445 59.691 58.200 0.077 0.000 0.941 35 S CB -0.685 62.551 63.200 0.061 0.000 0.763 35 S HN 1.080 nan 8.310 nan 0.000 0.532 36 H N 0.397 119.474 119.070 0.011 0.000 2.462 36 H HA 0.288 4.882 4.556 0.064 0.000 0.292 36 H C 1.176 176.516 175.328 0.019 0.000 1.049 36 H CA 0.500 56.555 56.048 0.013 0.000 1.334 36 H CB -0.118 29.650 29.762 0.011 0.000 1.404 36 H HN 0.316 nan 8.280 nan 0.000 0.544 37 R N 2.172 122.329 120.500 -0.571 0.000 2.294 37 R HA 0.331 4.710 4.340 0.064 0.000 0.319 37 R C -2.813 173.390 176.300 -0.161 0.000 0.984 37 R CA -2.653 53.209 56.100 -0.397 0.000 0.861 37 R CB 0.620 30.589 30.300 -0.552 0.000 1.104 37 R HN 0.111 nan 8.270 nan 0.000 0.451 38 P HA 0.120 nan 4.420 nan 0.000 0.268 38 P C -0.968 176.322 177.300 -0.016 0.000 1.204 38 P CA -0.209 62.880 63.100 -0.019 0.000 0.768 38 P CB 0.997 32.711 31.700 0.024 0.000 0.842 39 A N 3.114 125.931 122.820 -0.005 0.000 2.531 39 A HA 0.364 4.722 4.320 0.064 0.000 0.236 39 A C 0.871 178.465 177.584 0.018 0.000 1.062 39 A CA 0.188 52.227 52.037 0.002 0.000 0.760 39 A CB -0.385 18.619 19.000 0.007 0.000 0.995 39 A HN 0.576 nan 8.150 nan 0.000 0.501 40 A N 2.975 125.805 122.820 0.017 0.000 3.118 40 A HA 0.512 4.870 4.320 0.064 0.000 0.256 40 A C 0.228 177.831 177.584 0.031 0.000 1.667 40 A CA -0.089 51.965 52.037 0.028 0.000 1.338 40 A CB -0.410 18.604 19.000 0.023 0.000 1.127 40 A HN 0.748 nan 8.150 nan 0.000 0.634 41 E N 0.513 120.734 120.200 0.035 0.000 2.412 41 E HA 0.371 4.760 4.350 0.064 0.000 0.279 41 E C -3.155 173.469 176.600 0.039 0.000 0.984 41 E CA -1.824 54.597 56.400 0.036 0.000 0.788 41 E CB 2.000 31.715 29.700 0.025 0.000 1.277 41 E HN 0.096 nan 8.360 nan 0.000 0.455 42 P HA 0.151 nan 4.420 nan 0.000 0.271 42 P C -0.594 176.716 177.300 0.017 0.000 1.216 42 P CA -0.015 63.102 63.100 0.028 0.000 0.771 42 P CB 0.379 32.084 31.700 0.007 0.000 0.864 43 T N 0.382 114.943 114.554 0.010 0.000 2.909 43 T HA 0.601 4.990 4.350 0.064 0.000 0.299 43 T C -2.963 171.713 174.700 -0.039 0.000 1.073 43 T CA -2.593 59.508 62.100 0.001 0.000 0.999 43 T CB 1.580 70.454 68.868 0.010 0.000 1.098 43 T HN 0.100 nan 8.240 nan 0.000 0.477 44 P HA 0.343 nan 4.420 nan 0.000 0.272 44 P C -2.717 174.453 177.300 -0.216 0.000 1.230 44 P CA -1.462 61.505 63.100 -0.223 0.000 0.788 44 P CB -0.926 30.729 31.700 -0.075 0.000 0.949 45 P HA 0.025 nan 4.420 nan 0.000 0.265 45 P C 1.133 178.392 177.300 -0.069 0.000 1.187 45 P CA 1.319 64.328 63.100 -0.153 0.000 0.766 45 P CB -0.179 31.428 31.700 -0.155 0.000 0.820 46 G N 2.286 111.074 108.800 -0.021 0.000 2.220 46 G HA2 -0.373 3.625 3.960 0.064 0.000 0.269 46 G HA3 -0.373 3.625 3.960 0.064 0.000 0.269 46 G C 1.158 176.059 174.900 0.001 0.000 0.977 46 G CA 0.548 45.648 45.100 -0.001 0.000 0.634 46 G HN 0.700 nan 8.290 nan 0.000 0.539 47 A N -1.418 121.398 122.820 -0.006 0.000 2.014 47 A HA 0.416 4.775 4.320 0.064 0.000 0.218 47 A C 1.341 178.930 177.584 0.008 0.000 1.163 47 A CA 1.936 53.974 52.037 0.001 0.000 0.652 47 A CB 0.047 19.046 19.000 -0.001 0.000 0.808 47 A HN 0.487 nan 8.150 nan 0.000 0.449 48 Q N -1.130 118.678 119.800 0.013 0.000 2.456 48 Q HA 0.435 4.814 4.340 0.064 0.000 0.284 48 Q C -2.963 173.053 176.000 0.026 0.000 1.061 48 Q CA -1.940 53.874 55.803 0.018 0.000 0.799 48 Q CB 1.141 29.893 28.738 0.024 0.000 1.445 48 Q HN 0.048 nan 8.270 nan 0.000 0.411 49 P HA 0.071 nan 4.420 nan 0.000 0.269 49 P C -0.342 176.988 177.300 0.051 0.000 1.215 49 P CA 0.052 63.166 63.100 0.023 0.000 0.780 49 P CB 0.349 32.059 31.700 0.018 0.000 0.898 50 T N -0.904 113.678 114.554 0.045 0.000 2.828 50 T HA 0.669 5.057 4.350 0.064 0.000 0.290 50 T C -0.096 174.690 174.700 0.145 0.000 1.019 50 T CA -0.586 61.590 62.100 0.127 0.000 1.031 50 T CB 0.896 69.774 68.868 0.017 0.000 1.001 50 T HN 0.529 nan 8.240 nan 0.000 0.531 51 A N 1.514 124.531 122.820 0.327 0.000 2.593 51 A HA 0.803 5.161 4.320 0.064 0.000 0.290 51 A C -3.027 174.838 177.584 0.467 0.000 1.126 51 A CA -2.065 50.139 52.037 0.278 0.000 0.695 51 A CB 0.646 19.754 19.000 0.181 0.000 1.290 51 A HN 0.651 nan 8.150 nan 0.000 0.414 52 P HA 0.140 nan 4.420 nan 0.000 0.266 52 P C 1.197 178.650 177.300 0.256 0.000 1.195 52 P CA 0.848 64.171 63.100 0.373 0.000 0.768 52 P CB 0.592 32.429 31.700 0.228 0.000 0.838 53 G N 2.275 111.181 108.800 0.177 0.000 2.469 53 G HA2 -0.298 3.700 3.960 0.064 0.000 0.220 53 G HA3 -0.298 3.700 3.960 0.064 0.000 0.220 53 G C 1.555 176.472 174.900 0.028 0.000 1.136 53 G CA 1.167 46.285 45.100 0.029 0.000 0.759 53 G HN 0.589 nan 8.290 nan 0.000 0.562 54 S N -0.004 115.718 115.700 0.037 0.000 2.453 54 S HA 0.132 4.641 4.470 0.064 0.000 0.231 54 S C 2.220 176.840 174.600 0.033 0.000 1.005 54 S CA 0.789 58.997 58.200 0.013 0.000 0.949 54 S CB -0.175 63.027 63.200 0.004 0.000 0.774 54 S HN 0.316 nan 8.310 nan 0.000 0.510 55 L N -0.114 121.147 121.223 0.062 0.000 2.298 55 L HA 0.261 4.639 4.340 0.064 0.000 0.209 55 L C 2.667 179.572 176.870 0.059 0.000 1.084 55 L CA 0.770 55.647 54.840 0.061 0.000 0.816 55 L CB -0.311 41.794 42.059 0.076 0.000 0.967 55 L HN 0.247 nan 8.230 nan 0.000 0.460 56 K N 1.406 121.852 120.400 0.076 0.000 2.103 56 K HA 0.036 4.394 4.320 0.064 0.000 0.204 56 K C 0.727 177.359 176.600 0.053 0.000 1.052 56 K CA 1.273 57.605 56.287 0.075 0.000 0.945 56 K CB 0.140 32.702 32.500 0.104 0.000 0.722 56 K HN 0.145 nan 8.250 nan 0.000 0.443 57 A N 0.664 123.508 122.820 0.039 0.000 3.410 57 A HA 0.340 4.698 4.320 0.064 0.000 0.276 57 A C -2.212 175.379 177.584 0.012 0.000 0.995 57 A CA -0.909 51.148 52.037 0.033 0.000 0.934 57 A CB 0.596 19.619 19.000 0.039 0.000 1.191 57 A HN 0.146 nan 8.150 nan 0.000 0.511 58 P HA -0.102 nan 4.420 nan 0.000 0.225 58 P C 0.071 177.365 177.300 -0.010 0.000 1.148 58 P CA 1.098 64.198 63.100 0.000 0.000 0.779 58 P CB 0.350 32.054 31.700 0.007 0.000 0.780 59 D N -0.871 119.527 120.400 -0.003 0.000 2.350 59 D HA 0.016 4.694 4.640 0.064 0.000 0.213 59 D C 0.336 176.624 176.300 -0.020 0.000 1.031 59 D CA 0.590 54.585 54.000 -0.009 0.000 0.861 59 D CB -0.341 40.461 40.800 0.004 0.000 0.926 59 D HN 0.104 nan 8.370 nan 0.000 0.520 60 T N 1.730 116.270 114.554 -0.024 0.000 2.737 60 T HA 0.377 4.765 4.350 0.064 0.000 0.296 60 T C 0.457 175.113 174.700 -0.073 0.000 0.922 60 T CA -0.112 61.959 62.100 -0.047 0.000 1.079 60 T CB 1.054 69.892 68.868 -0.050 0.000 0.892 60 T HN -0.080 nan 8.240 nan 0.000 0.514 61 R N 2.698 123.147 120.500 -0.085 0.000 2.837 61 R HA 0.656 5.035 4.340 0.064 0.000 0.271 61 R C -0.636 175.602 176.300 -0.103 0.000 0.993 61 R CA -1.029 55.014 56.100 -0.095 0.000 0.931 61 R CB 1.584 31.837 30.300 -0.080 0.000 1.206 61 R HN 0.777 nan 8.270 nan 0.000 0.474 62 N N -1.654 116.987 118.700 -0.099 0.000 2.934 62 N HA 0.028 4.807 4.740 0.064 0.000 0.253 62 N C 0.036 175.496 175.510 -0.083 0.000 1.466 62 N CA -0.940 52.063 53.050 -0.078 0.000 0.858 62 N CB 0.757 39.226 38.487 -0.030 0.000 1.459 62 N HN 0.624 nan 8.380 nan 0.000 0.532 63 E N -0.182 119.984 120.200 -0.057 0.000 2.097 63 E HA -0.319 4.069 4.350 0.064 0.000 0.196 63 E C 1.093 177.620 176.600 -0.123 0.000 1.000 63 E CA 1.670 58.032 56.400 -0.064 0.000 0.804 63 E CB 0.068 29.755 29.700 -0.022 0.000 0.740 63 E HN 0.499 nan 8.360 nan 0.000 0.454 64 K N 0.656 120.947 120.400 -0.182 0.000 2.025 64 K HA -0.080 4.279 4.320 0.064 0.000 0.207 64 K C 2.120 178.550 176.600 -0.284 0.000 1.049 64 K CA 1.185 57.267 56.287 -0.342 0.000 0.933 64 K CB -0.476 31.647 32.500 -0.629 0.000 0.714 64 K HN 0.192 nan 8.250 nan 0.000 0.438 65 L N 0.953 122.024 121.223 -0.253 0.000 2.013 65 L HA -0.268 4.111 4.340 0.064 0.000 0.212 65 L C 1.927 178.678 176.870 -0.198 0.000 1.073 65 L CA 1.571 56.239 54.840 -0.287 0.000 0.753 65 L CB -0.681 41.205 42.059 -0.288 0.000 0.890 65 L HN 0.287 nan 8.230 nan 0.000 0.432 66 N N -0.323 118.288 118.700 -0.148 0.000 2.166 66 N HA -0.152 4.626 4.740 0.064 0.000 0.186 66 N C 2.024 177.473 175.510 -0.103 0.000 1.019 66 N CA 1.649 54.634 53.050 -0.108 0.000 0.856 66 N CB -0.441 37.996 38.487 -0.084 0.000 0.993 66 N HN 0.399 nan 8.380 nan 0.000 0.426 67 S N 0.275 115.903 115.700 -0.120 0.000 2.474 67 S HA 0.037 4.546 4.470 0.064 0.000 0.235 67 S C 1.801 176.338 174.600 -0.106 0.000 0.997 67 S CA 0.368 58.505 58.200 -0.105 0.000 0.949 67 S CB -0.446 62.684 63.200 -0.117 0.000 0.766 67 S HN 0.238 nan 8.310 nan 0.000 0.517 68 L N 0.759 121.905 121.223 -0.128 0.000 2.554 68 L HA 0.193 4.571 4.340 0.064 0.000 0.226 68 L C 2.588 179.409 176.870 -0.080 0.000 1.137 68 L CA 0.522 55.295 54.840 -0.112 0.000 0.863 68 L CB -0.357 41.619 42.059 -0.139 0.000 0.985 68 L HN 0.257 nan 8.230 nan 0.000 0.451 69 E N 0.971 121.127 120.200 -0.073 0.000 2.204 69 E HA -0.244 4.144 4.350 0.064 0.000 0.195 69 E C 1.687 178.264 176.600 -0.039 0.000 0.990 69 E CA 1.336 57.706 56.400 -0.051 0.000 0.821 69 E CB -0.066 29.606 29.700 -0.046 0.000 0.750 69 E HN 0.566 nan 8.360 nan 0.000 0.477 70 D N -0.526 119.850 120.400 -0.041 0.000 2.218 70 D HA -0.148 4.531 4.640 0.064 0.000 0.204 70 D C 1.664 177.946 176.300 -0.031 0.000 0.976 70 D CA 1.616 55.596 54.000 -0.033 0.000 0.853 70 D CB -0.362 40.418 40.800 -0.033 0.000 0.939 70 D HN 0.301 nan 8.370 nan 0.000 0.481 71 V N -3.322 116.572 119.914 -0.034 0.000 3.643 71 V HA 0.313 4.471 4.120 0.064 0.000 0.280 71 V C 0.897 176.979 176.094 -0.020 0.000 1.351 71 V CA -0.634 61.650 62.300 -0.026 0.000 1.073 71 V CB -0.480 31.327 31.823 -0.026 0.000 0.863 71 V HN -0.158 nan 8.190 nan 0.000 0.436 72 R N 1.936 122.424 120.500 -0.021 0.000 2.537 72 R HA 0.422 4.800 4.340 0.064 0.000 0.280 72 R C -0.362 175.934 176.300 -0.007 0.000 1.058 72 R CA 0.034 56.130 56.100 -0.007 0.000 1.057 72 R CB 0.635 30.932 30.300 -0.006 0.000 0.973 72 R HN 0.292 nan 8.270 nan 0.000 0.438 73 K N 1.186 121.586 120.400 -0.001 0.000 2.413 73 K HA 0.334 4.693 4.320 0.064 0.000 0.257 73 K C -0.120 176.488 176.600 0.014 0.000 0.946 73 K CA -0.337 55.936 56.287 -0.024 0.000 0.823 73 K CB 1.819 34.292 32.500 -0.046 0.000 1.109 73 K HN 0.664 nan 8.250 nan 0.000 0.427 74 G N 0.665 109.490 108.800 0.042 0.000 2.582 74 G HA2 0.318 4.316 3.960 0.064 0.000 0.232 74 G HA3 0.318 4.316 3.960 0.064 0.000 0.232 74 G C 0.178 175.176 174.900 0.163 0.000 1.458 74 G CA 0.247 45.427 45.100 0.134 0.000 1.062 74 G HN 0.785 nan 8.290 nan 0.000 0.566 75 S N -2.703 113.183 115.700 0.311 0.000 2.501 75 S HA 0.108 4.616 4.470 0.064 0.000 0.250 75 S C 0.215 174.992 174.600 0.294 0.000 0.959 75 S CA -0.095 58.286 58.200 0.301 0.000 1.250 75 S CB -0.007 63.280 63.200 0.145 0.000 0.933 75 S HN 0.481 nan 8.310 nan 0.000 0.420 76 E N 2.942 123.228 120.200 0.144 0.000 2.415 76 E HA 0.300 4.689 4.350 0.064 0.000 0.263 76 E C -0.212 176.289 176.600 -0.166 0.000 0.995 76 E CA 0.260 56.666 56.400 0.011 0.000 0.915 76 E CB 0.088 29.787 29.700 -0.001 0.000 0.951 76 E HN 0.392 nan 8.360 nan 0.000 0.449 77 N N 0.709 119.329 118.700 -0.134 0.000 2.863 77 N HA -0.220 4.559 4.740 0.064 0.000 0.245 77 N C -1.140 174.221 175.510 -0.249 0.000 1.001 77 N CA 1.164 54.092 53.050 -0.203 0.000 0.901 77 N CB -1.375 36.953 38.487 -0.265 0.000 1.124 77 N HN 0.374 nan 8.380 nan 0.000 0.582 78 Y N 0.625 120.931 120.300 0.009 0.000 2.387 78 Y HA 0.632 5.221 4.550 0.065 0.000 0.330 78 Y C 0.958 176.861 175.900 0.004 0.000 1.133 78 Y CA -0.651 57.454 58.100 0.007 0.000 1.152 78 Y CB 1.031 39.495 38.460 0.007 0.000 1.215 78 Y HN 0.127 nan 8.280 nan 0.000 0.466 79 A N 2.777 125.711 122.820 0.190 0.000 2.425 79 A HA 0.376 4.734 4.320 0.064 0.000 0.249 79 A C -0.639 176.994 177.584 0.082 0.000 1.084 79 A CA -0.491 51.608 52.037 0.103 0.000 0.781 79 A CB 0.019 19.066 19.000 0.078 0.000 1.019 79 A HN 0.717 nan 8.150 nan 0.000 0.490 80 L N 2.950 124.201 121.223 0.048 0.000 2.410 80 L HA 0.529 4.908 4.340 0.064 0.000 0.273 80 L C 0.621 177.499 176.870 0.013 0.000 1.152 80 L CA 1.127 55.981 54.840 0.024 0.000 0.855 80 L CB 0.498 42.562 42.059 0.009 0.000 1.129 80 L HN 0.906 nan 8.230 nan 0.000 0.463 81 T N 0.369 114.924 114.554 0.002 0.000 2.865 81 T HA 0.632 5.020 4.350 0.064 0.000 0.294 81 T C 0.179 174.877 174.700 -0.004 0.000 1.119 81 T CA -0.195 61.907 62.100 0.005 0.000 1.007 81 T CB 0.997 69.871 68.868 0.010 0.000 1.225 81 T HN 0.841 nan 8.240 nan 0.000 0.515 82 T N 0.498 115.062 114.554 0.016 0.000 2.680 82 T HA 0.166 4.554 4.350 0.064 0.000 0.314 82 T C 1.072 175.785 174.700 0.022 0.000 1.045 82 T CA -0.368 61.749 62.100 0.028 0.000 1.025 82 T CB -0.095 68.831 68.868 0.097 0.000 1.000 82 T HN 0.573 nan 8.240 nan 0.000 0.535 83 N N 0.556 119.272 118.700 0.026 0.000 2.453 83 N HA -0.067 4.711 4.740 0.064 0.000 0.183 83 N C 1.606 177.135 175.510 0.031 0.000 1.041 83 N CA 0.585 53.644 53.050 0.015 0.000 0.900 83 N CB -0.177 38.326 38.487 0.028 0.000 0.961 83 N HN 0.561 nan 8.380 nan 0.000 0.443 84 Q N -0.489 119.344 119.800 0.055 0.000 2.403 84 Q HA 0.180 4.558 4.340 0.064 0.000 0.203 84 Q C 0.794 176.819 176.000 0.041 0.000 0.932 84 Q CA 0.211 56.044 55.803 0.051 0.000 0.945 84 Q CB 0.309 29.086 28.738 0.066 0.000 1.045 84 Q HN 0.395 nan 8.270 nan 0.000 0.511 85 G N 0.460 109.281 108.800 0.035 0.000 2.132 85 G HA2 -0.230 3.768 3.960 0.064 0.000 0.234 85 G HA3 -0.230 3.768 3.960 0.064 0.000 0.234 85 G C 0.018 174.944 174.900 0.044 0.000 0.989 85 G CA 0.121 45.237 45.100 0.026 0.000 0.676 85 G HN 0.214 nan 8.290 nan 0.000 0.522 86 V N 1.631 121.587 119.914 0.070 0.000 2.406 86 V HA 0.344 4.503 4.120 0.064 0.000 0.272 86 V C 1.341 177.473 176.094 0.063 0.000 1.043 86 V CA -0.602 61.752 62.300 0.090 0.000 0.915 86 V CB 0.990 32.915 31.823 0.169 0.000 0.988 86 V HN 0.425 nan 8.190 nan 0.000 0.466 87 R N 4.396 124.926 120.500 0.051 0.000 2.585 87 R HA 0.269 4.648 4.340 0.064 0.000 0.275 87 R C -0.458 175.855 176.300 0.021 0.000 1.018 87 R CA 0.093 56.213 56.100 0.034 0.000 1.072 87 R CB 0.403 30.723 30.300 0.034 0.000 0.953 87 R HN 0.577 nan 8.270 nan 0.000 0.419 88 I N 2.186 122.757 120.570 0.001 0.000 2.331 88 I HA 0.113 4.322 4.170 0.064 0.000 0.292 88 I C 0.972 177.078 176.117 -0.018 0.000 0.998 88 I CA 0.056 61.340 61.300 -0.026 0.000 1.267 88 I CB 1.857 39.830 38.000 -0.045 0.000 1.386 88 I HN 0.775 nan 8.210 nan 0.000 0.476 89 A N 4.103 126.909 122.820 -0.023 0.000 1.943 89 A HA 0.013 4.372 4.320 0.064 0.000 0.213 89 A C 0.668 178.237 177.584 -0.025 0.000 1.181 89 A CA 0.895 52.922 52.037 -0.017 0.000 0.653 89 A CB 0.051 19.044 19.000 -0.011 0.000 0.833 89 A HN 0.677 nan 8.150 nan 0.000 0.451 90 D N -0.598 119.779 120.400 -0.038 0.000 2.421 90 D HA 0.323 5.002 4.640 0.064 0.000 0.254 90 D C -1.269 174.999 176.300 -0.053 0.000 1.238 90 D CA -0.370 53.605 54.000 -0.040 0.000 0.919 90 D CB 1.170 41.947 40.800 -0.038 0.000 1.152 90 D HN 0.059 nan 8.370 nan 0.000 0.552 91 D N 2.022 122.394 120.400 -0.048 0.000 2.395 91 D HA 0.040 4.718 4.640 0.064 0.000 0.226 91 D C 0.652 176.919 176.300 -0.054 0.000 1.146 91 D CA 0.266 54.232 54.000 -0.055 0.000 0.830 91 D CB 0.508 41.280 40.800 -0.047 0.000 0.958 91 D HN 0.233 nan 8.370 nan 0.000 0.501 92 Q N -0.588 119.182 119.800 -0.050 0.000 2.317 92 Q HA 0.261 4.640 4.340 0.064 0.000 0.220 92 Q C -0.140 175.831 176.000 -0.050 0.000 0.873 92 Q CA 0.216 55.991 55.803 -0.047 0.000 0.936 92 Q CB 0.759 29.474 28.738 -0.038 0.000 1.105 92 Q HN 0.203 nan 8.270 nan 0.000 0.520 93 N N 0.014 118.683 118.700 -0.053 0.000 2.331 93 N HA 0.268 5.046 4.740 0.064 0.000 0.280 93 N C -1.091 174.385 175.510 -0.057 0.000 1.155 93 N CA -0.248 52.773 53.050 -0.049 0.000 0.822 93 N CB 2.106 40.569 38.487 -0.040 0.000 1.619 93 N HN -0.180 nan 8.380 nan 0.000 0.476 94 S N 0.826 116.495 115.700 -0.052 0.000 2.592 94 S HA 0.254 4.762 4.470 0.064 0.000 0.271 94 S C 0.231 174.806 174.600 -0.041 0.000 1.326 94 S CA -0.552 57.617 58.200 -0.050 0.000 1.024 94 S CB 0.706 63.882 63.200 -0.040 0.000 0.921 94 S HN 0.391 nan 8.310 nan 0.000 0.527 95 L N 3.975 125.174 121.223 -0.040 0.000 2.360 95 L HA 0.378 4.757 4.340 0.064 0.000 0.276 95 L C 0.153 177.016 176.870 -0.012 0.000 1.121 95 L CA 0.446 55.272 54.840 -0.024 0.000 0.845 95 L CB -0.046 42.003 42.059 -0.017 0.000 1.143 95 L HN 0.720 nan 8.230 nan 0.000 0.452 96 R N 4.204 124.698 120.500 -0.009 0.000 2.836 96 R HA 0.860 5.238 4.340 0.064 0.000 0.269 96 R C -1.147 175.153 176.300 -0.000 0.000 1.010 96 R CA -0.874 55.224 56.100 -0.004 0.000 0.930 96 R CB 1.127 31.422 30.300 -0.008 0.000 1.218 96 R HN 0.586 nan 8.270 nan 0.000 0.473 97 A N 1.347 124.168 122.820 0.002 0.000 2.527 97 A HA 0.574 4.932 4.320 0.064 0.000 0.313 97 A C 0.669 178.253 177.584 0.001 0.000 1.410 97 A CA 0.310 52.349 52.037 0.003 0.000 1.060 97 A CB -0.869 18.134 19.000 0.005 0.000 1.137 97 A HN 1.193 nan 8.150 nan 0.000 0.542 98 G N 1.472 110.272 108.800 -0.000 0.000 2.755 98 G HA2 -0.032 3.966 3.960 0.064 0.000 0.686 98 G HA3 -0.032 3.966 3.960 0.064 0.000 0.686 98 G C 0.770 175.667 174.900 -0.005 0.000 1.427 98 G CA 0.184 45.283 45.100 -0.002 0.000 0.873 98 G HN 1.930 nan 8.290 nan 0.000 0.580 99 S N -0.412 115.284 115.700 -0.006 0.000 2.515 99 S HA 0.044 4.552 4.470 0.064 0.000 0.231 99 S C 1.497 176.091 174.600 -0.009 0.000 0.987 99 S CA 1.285 59.480 58.200 -0.008 0.000 0.936 99 S CB 0.130 63.325 63.200 -0.009 0.000 0.766 99 S HN 0.738 nan 8.310 nan 0.000 0.528 100 R N 0.963 121.458 120.500 -0.007 0.000 2.633 100 R HA 0.361 4.739 4.340 0.064 0.000 0.348 100 R C 0.776 177.073 176.300 -0.006 0.000 1.100 100 R CA -0.016 56.080 56.100 -0.007 0.000 1.068 100 R CB 0.796 31.093 30.300 -0.006 0.000 1.351 100 R HN 0.451 nan 8.270 nan 0.000 0.575 101 G N 1.374 110.171 108.800 -0.005 0.000 2.753 101 G HA2 0.441 4.439 3.960 0.064 0.000 0.285 101 G HA3 0.441 4.439 3.960 0.064 0.000 0.285 101 G C -2.503 172.395 174.900 -0.004 0.000 1.344 101 G CA -1.136 43.962 45.100 -0.003 0.000 1.050 101 G HN -0.103 nan 8.290 nan 0.000 0.532 102 P HA 0.260 nan 4.420 nan 0.000 0.277 102 P C -0.254 177.046 177.300 -0.001 0.000 1.240 102 P CA -0.087 63.013 63.100 -0.000 0.000 0.798 102 P CB 0.948 32.650 31.700 0.003 0.000 0.979 103 T N 2.153 116.706 114.554 -0.002 0.000 2.907 103 T HA 0.306 4.694 4.350 0.064 0.000 0.298 103 T C 0.467 175.171 174.700 0.006 0.000 1.017 103 T CA -0.164 61.935 62.100 -0.002 0.000 1.118 103 T CB 0.048 68.912 68.868 -0.006 0.000 0.948 103 T HN 0.179 nan 8.240 nan 0.000 0.531 104 L N 3.117 124.346 121.223 0.010 0.000 2.343 104 L HA 0.373 4.751 4.340 0.064 0.000 0.275 104 L C 1.352 178.239 176.870 0.029 0.000 1.056 104 L CA -0.797 54.055 54.840 0.020 0.000 0.804 104 L CB 0.909 42.983 42.059 0.024 0.000 1.203 104 L HN 0.503 nan 8.230 nan 0.000 0.440 105 L N 1.757 123.001 121.223 0.035 0.000 2.275 105 L HA -0.149 4.229 4.340 0.064 0.000 0.215 105 L C 2.212 179.123 176.870 0.069 0.000 1.119 105 L CA 1.526 56.393 54.840 0.045 0.000 0.790 105 L CB -0.537 41.545 42.059 0.038 0.000 0.919 105 L HN 0.797 nan 8.230 nan 0.000 0.443 106 E N -1.517 118.728 120.200 0.075 0.000 2.511 106 E HA -0.158 4.230 4.350 0.064 0.000 0.196 106 E C 0.152 176.864 176.600 0.186 0.000 1.066 106 E CA 0.130 56.603 56.400 0.122 0.000 0.871 106 E CB -0.480 29.281 29.700 0.102 0.000 0.863 106 E HN 0.359 nan 8.360 nan 0.000 0.520 107 D N 1.247 121.708 120.400 0.101 0.000 2.441 107 D HA -0.052 4.626 4.640 0.064 0.000 0.243 107 D C 0.378 176.702 176.300 0.039 0.000 1.257 107 D CA -0.414 53.604 54.000 0.030 0.000 1.027 107 D CB -0.124 40.660 40.800 -0.027 0.000 1.084 107 D HN 0.312 nan 8.370 nan 0.000 0.514 108 F N 2.061 122.019 119.950 0.013 0.000 2.456 108 F HA 0.136 4.701 4.527 0.063 0.000 0.298 108 F C 1.589 177.401 175.800 0.019 0.000 1.104 108 F CA -0.003 58.008 58.000 0.019 0.000 1.435 108 F CB -0.626 38.385 39.000 0.018 0.000 1.078 108 F HN 0.179 nan 8.300 nan 0.000 0.546 109 I N 0.331 120.448 120.570 -0.756 0.000 2.233 109 I HA -0.187 4.021 4.170 0.064 0.000 0.243 109 I C 2.470 178.470 176.117 -0.196 0.000 1.093 109 I CA 0.920 61.926 61.300 -0.489 0.000 1.380 109 I CB -0.538 37.125 38.000 -0.562 0.000 1.067 109 I HN 0.254 nan 8.210 nan 0.000 0.413 110 L N 1.189 122.314 121.223 -0.164 0.000 1.971 110 L HA -0.236 4.143 4.340 0.064 0.000 0.215 110 L C 2.650 179.505 176.870 -0.024 0.000 1.072 110 L CA 1.965 56.757 54.840 -0.081 0.000 0.758 110 L CB -0.587 41.433 42.059 -0.065 0.000 0.889 110 L HN 0.066 nan 8.230 nan 0.000 0.433 111 R N -0.730 119.775 120.500 0.009 0.000 2.096 111 R HA -0.175 4.203 4.340 0.064 0.000 0.235 111 R C 2.306 178.658 176.300 0.087 0.000 1.127 111 R CA 1.454 57.589 56.100 0.058 0.000 0.968 111 R CB -0.365 29.985 30.300 0.084 0.000 0.861 111 R HN 0.604 nan 8.270 nan 0.000 0.440 112 E N 1.201 121.455 120.200 0.090 0.000 2.051 112 E HA -0.244 4.145 4.350 0.064 0.000 0.192 112 E C 1.925 178.598 176.600 0.121 0.000 0.991 112 E CA 1.280 57.751 56.400 0.118 0.000 0.799 112 E CB 0.101 29.872 29.700 0.119 0.000 0.748 112 E HN 0.149 nan 8.360 nan 0.000 0.449 113 K N 0.192 120.630 120.400 0.064 0.000 2.026 113 K HA -0.142 4.216 4.320 0.064 0.000 0.208 113 K C 2.111 178.779 176.600 0.113 0.000 1.048 113 K CA 1.343 57.667 56.287 0.062 0.000 0.929 113 K CB -0.020 32.473 32.500 -0.011 0.000 0.713 113 K HN 0.148 nan 8.250 nan 0.000 0.439 114 I N 1.270 121.886 120.570 0.077 0.000 2.353 114 I HA -0.166 4.042 4.170 0.064 0.000 0.248 114 I C 2.099 178.322 176.117 0.176 0.000 1.119 114 I CA 1.277 62.639 61.300 0.103 0.000 1.417 114 I CB -1.377 36.648 38.000 0.041 0.000 1.078 114 I HN 0.225 nan 8.210 nan 0.000 0.421 115 T N -0.294 114.354 114.554 0.158 0.000 2.746 115 T HA -0.214 4.174 4.350 0.064 0.000 0.267 115 T C 1.963 176.791 174.700 0.213 0.000 1.039 115 T CA 1.382 63.593 62.100 0.186 0.000 1.142 115 T CB -0.404 68.588 68.868 0.207 0.000 0.866 115 T HN 0.339 nan 8.240 nan 0.000 0.444 116 H N -0.013 119.149 119.070 0.154 0.000 2.321 116 H HA -0.072 4.522 4.556 0.064 0.000 0.300 116 H C 2.190 177.581 175.328 0.105 0.000 1.087 116 H CA 1.611 57.737 56.048 0.130 0.000 1.319 116 H CB -0.440 29.378 29.762 0.093 0.000 1.379 116 H HN 0.397 nan 8.280 nan 0.000 0.501 117 F N 2.062 122.065 119.950 0.088 0.000 2.134 117 F HA -0.180 4.386 4.527 0.065 0.000 0.299 117 F C 1.887 177.626 175.800 -0.102 0.000 1.097 117 F CA 1.618 59.621 58.000 0.005 0.000 1.264 117 F CB -0.315 38.684 39.000 -0.002 0.000 1.001 117 F HN 0.052 nan 8.300 nan 0.000 0.479 118 D N -1.165 119.152 120.400 -0.137 0.000 2.350 118 D HA -0.122 4.556 4.640 0.064 0.000 0.216 118 D C 1.076 176.975 176.300 -0.669 0.000 0.968 118 D CA 1.092 54.838 54.000 -0.423 0.000 0.894 118 D CB -0.329 40.202 40.800 -0.448 0.000 0.909 118 D HN 0.497 nan 8.370 nan 0.000 0.520 119 H N -0.632 118.316 119.070 -0.203 0.000 2.567 119 H HA 0.222 4.816 4.556 0.065 0.000 0.267 119 H C 1.007 176.174 175.328 -0.270 0.000 1.148 119 H CA -0.143 55.785 56.048 -0.200 0.000 1.031 119 H CB 0.556 30.222 29.762 -0.160 0.000 1.691 119 H HN 0.244 nan 8.280 nan 0.000 0.588 120 E N 0.758 120.793 120.200 -0.275 0.000 2.106 120 E HA -0.043 4.346 4.350 0.064 0.000 0.192 120 E C 0.510 176.950 176.600 -0.267 0.000 0.984 120 E CA 0.599 56.809 56.400 -0.316 0.000 0.806 120 E CB 0.445 29.934 29.700 -0.350 0.000 0.750 120 E HN 0.176 nan 8.360 nan 0.000 0.458 121 R N 1.253 121.657 120.500 -0.159 0.000 2.410 121 R HA 0.353 4.731 4.340 0.064 0.000 0.288 121 R C 0.472 176.807 176.300 0.058 0.000 1.051 121 R CA -0.200 55.879 56.100 -0.035 0.000 1.021 121 R CB 0.775 31.050 30.300 -0.042 0.000 1.032 121 R HN 0.155 nan 8.270 nan 0.000 0.481 122 I N -1.068 119.603 120.570 0.168 0.000 3.023 122 I HA 0.594 4.803 4.170 0.064 0.000 0.312 122 I C -2.267 173.915 176.117 0.109 0.000 1.056 122 I CA -3.043 58.346 61.300 0.148 0.000 1.033 122 I CB 1.715 39.840 38.000 0.209 0.000 1.233 122 I HN 0.237 nan 8.210 nan 0.000 0.462 123 P HA 0.107 nan 4.420 nan 0.000 0.268 123 P C -0.880 176.453 177.300 0.055 0.000 1.204 123 P CA -0.117 63.013 63.100 0.051 0.000 0.768 123 P CB 0.438 32.157 31.700 0.032 0.000 0.842 124 E N 2.903 123.137 120.200 0.057 0.000 2.391 124 E HA 0.143 4.531 4.350 0.064 0.000 0.255 124 E C -0.479 176.149 176.600 0.046 0.000 1.187 124 E CA -0.760 55.678 56.400 0.063 0.000 0.941 124 E CB 0.567 30.310 29.700 0.072 0.000 1.010 124 E HN 0.265 nan 8.360 nan 0.000 0.458 125 R N 0.811 121.343 120.500 0.054 0.000 2.570 125 R HA 0.003 4.381 4.340 0.064 0.000 0.277 125 R C 1.299 177.633 176.300 0.057 0.000 1.039 125 R CA -0.444 55.684 56.100 0.047 0.000 1.065 125 R CB 0.267 30.613 30.300 0.076 0.000 0.964 125 R HN 0.566 nan 8.270 nan 0.000 0.428 126 I N 1.997 122.594 120.570 0.045 0.000 2.208 126 I HA -0.152 4.056 4.170 0.064 0.000 0.245 126 I C 1.210 177.379 176.117 0.087 0.000 1.097 126 I CA 1.542 62.879 61.300 0.061 0.000 1.363 126 I CB -1.112 36.928 38.000 0.067 0.000 1.051 126 I HN 0.388 nan 8.210 nan 0.000 0.413 127 V N -3.287 116.712 119.914 0.142 0.000 3.040 127 V HA 0.522 4.680 4.120 0.064 0.000 0.312 127 V C 0.365 176.637 176.094 0.296 0.000 1.115 127 V CA -0.851 61.563 62.300 0.190 0.000 0.998 127 V CB 1.841 33.849 31.823 0.307 0.000 1.042 127 V HN 0.427 nan 8.190 nan 0.000 0.433 128 H N 0.480 119.613 119.070 0.104 0.000 2.903 128 H HA -0.209 4.386 4.556 0.064 0.000 0.285 128 H C 1.515 176.891 175.328 0.080 0.000 1.231 128 H CA 0.767 56.870 56.048 0.092 0.000 1.135 128 H CB -1.236 28.570 29.762 0.074 0.000 1.328 128 H HN 1.173 nan 8.280 nan 0.000 0.388 129 A N 0.701 123.612 122.820 0.152 0.000 2.070 129 A HA -0.089 4.269 4.320 0.064 0.000 0.220 129 A C 1.647 179.322 177.584 0.152 0.000 1.159 129 A CA 1.317 53.432 52.037 0.131 0.000 0.656 129 A CB -0.056 19.000 19.000 0.093 0.000 0.800 129 A HN 0.272 nan 8.150 nan 0.000 0.453 130 R N -0.071 120.521 120.500 0.153 0.000 2.255 130 R HA 0.540 4.918 4.340 0.064 0.000 0.326 130 R C -0.176 176.252 176.300 0.214 0.000 0.986 130 R CA 0.644 56.853 56.100 0.181 0.000 0.847 130 R CB 0.592 30.986 30.300 0.156 0.000 1.111 130 R HN 0.315 nan 8.270 nan 0.000 0.452 131 G N 0.690 109.643 108.800 0.255 0.000 2.601 131 G HA2 0.512 4.511 3.960 0.064 0.000 0.291 131 G HA3 0.512 4.511 3.960 0.064 0.000 0.291 131 G C -1.648 173.412 174.900 0.266 0.000 1.456 131 G CA -0.582 44.635 45.100 0.195 0.000 0.804 131 G HN 0.500 nan 8.290 nan 0.000 0.499 132 S N -1.109 114.685 115.700 0.157 0.000 2.548 132 S HA 0.877 5.385 4.470 0.064 0.000 0.276 132 S C -0.269 174.338 174.600 0.012 0.000 1.129 132 S CA -0.044 58.310 58.200 0.257 0.000 0.931 132 S CB 1.697 65.159 63.200 0.438 0.000 1.068 132 S HN 1.683 nan 8.310 nan 0.000 0.480 133 A N 1.649 124.438 122.820 -0.052 0.000 2.515 133 A HA 1.031 5.389 4.320 0.064 0.000 0.296 133 A C -0.929 176.450 177.584 -0.341 0.000 1.094 133 A CA -0.653 51.132 52.037 -0.421 0.000 0.718 133 A CB 1.648 20.254 19.000 -0.656 0.000 1.307 133 A HN 1.348 nan 8.150 nan 0.000 0.408 134 A N 0.643 123.105 122.820 -0.597 0.000 2.606 134 A HA 0.736 5.094 4.320 0.064 0.000 0.293 134 A C -1.035 176.335 177.584 -0.356 0.000 1.082 134 A CA -0.660 51.183 52.037 -0.324 0.000 0.685 134 A CB 0.743 19.652 19.000 -0.152 0.000 1.284 134 A HN 0.884 nan 8.150 nan 0.000 0.408 135 H N -0.371 118.718 119.070 0.031 0.000 2.505 135 H HA 0.659 5.253 4.556 0.064 0.000 0.355 135 H C 0.660 175.985 175.328 -0.006 0.000 1.179 135 H CA 1.009 57.129 56.048 0.120 0.000 1.343 135 H CB 1.752 31.585 29.762 0.119 0.000 1.501 135 H HN 1.145 nan 8.280 nan 0.000 0.569 136 G N 0.538 109.437 108.800 0.164 0.000 2.500 136 G HA2 0.347 4.345 3.960 0.064 0.000 0.299 136 G HA3 0.347 4.345 3.960 0.064 0.000 0.299 136 G C -2.038 172.987 174.900 0.209 0.000 1.242 136 G CA -0.596 44.559 45.100 0.090 0.000 0.859 136 G HN 0.630 nan 8.290 nan 0.000 0.481 137 Y N -1.782 118.554 120.300 0.060 0.000 2.625 137 Y HA 0.847 5.435 4.550 0.063 0.000 0.338 137 Y C -1.735 174.304 175.900 0.232 0.000 1.123 137 Y CA -1.995 56.185 58.100 0.134 0.000 1.046 137 Y CB 1.919 40.430 38.460 0.085 0.000 1.299 137 Y HN 0.885 nan 8.280 nan 0.000 0.464 138 F N 2.771 122.874 119.950 0.255 0.000 2.588 138 F HA 0.663 5.229 4.527 0.065 0.000 0.310 138 F C -1.567 174.429 175.800 0.328 0.000 1.082 138 F CA -0.530 57.620 58.000 0.250 0.000 0.929 138 F CB 2.223 41.487 39.000 0.440 0.000 1.254 138 F HN 0.808 nan 8.300 nan 0.000 0.455 139 Q N 5.693 124.968 119.800 -0.875 0.000 2.377 139 Q HA 0.615 4.993 4.340 0.064 0.000 0.279 139 Q C -3.332 172.004 176.000 -1.108 0.000 1.049 139 Q CA -2.272 53.120 55.803 -0.685 0.000 0.825 139 Q CB 2.966 31.614 28.738 -0.150 0.000 1.401 139 Q HN 0.332 nan 8.270 nan 0.000 0.404 140 P HA 0.097 nan 4.420 nan 0.000 0.279 140 P C -0.403 176.734 177.300 -0.273 0.000 1.252 140 P CA -0.282 62.549 63.100 -0.449 0.000 0.811 140 P CB 0.809 32.424 31.700 -0.141 0.000 1.035 141 Y N 0.370 120.608 120.300 -0.103 0.000 2.337 141 Y HA -0.044 4.545 4.550 0.065 0.000 0.293 141 Y C 1.456 177.327 175.900 -0.048 0.000 1.123 141 Y CA 0.527 58.588 58.100 -0.065 0.000 1.201 141 Y CB 0.263 38.693 38.460 -0.049 0.000 1.011 141 Y HN 0.359 nan 8.280 nan 0.000 0.545 142 K N -1.007 119.450 120.400 0.094 0.000 2.556 142 K HA 0.391 4.749 4.320 0.064 0.000 0.274 142 K C -0.851 175.750 176.600 0.001 0.000 0.966 142 K CA -0.939 55.374 56.287 0.044 0.000 0.865 142 K CB 1.600 34.129 32.500 0.047 0.000 1.444 142 K HN -0.244 nan 8.250 nan 0.000 0.433 143 S N 1.092 116.791 115.700 -0.002 0.000 2.546 143 S HA 0.087 4.595 4.470 0.064 0.000 0.290 143 S C 0.410 174.995 174.600 -0.024 0.000 1.290 143 S CA -0.497 57.692 58.200 -0.018 0.000 1.069 143 S CB -0.201 62.993 63.200 -0.009 0.000 0.846 143 S HN 0.556 nan 8.310 nan 0.000 0.495 144 L N 4.795 125.992 121.223 -0.044 0.000 2.848 144 L HA 0.136 4.514 4.340 0.064 0.000 0.240 144 L C 1.944 178.797 176.870 -0.030 0.000 1.232 144 L CA -0.096 54.725 54.840 -0.032 0.000 1.031 144 L CB -0.209 41.830 42.059 -0.034 0.000 1.338 144 L HN 0.834 nan 8.230 nan 0.000 0.509 145 S N -1.884 113.798 115.700 -0.030 0.000 2.440 145 S HA -0.178 4.330 4.470 0.064 0.000 0.238 145 S C 1.274 175.859 174.600 -0.025 0.000 1.010 145 S CA 0.981 59.163 58.200 -0.030 0.000 0.972 145 S CB -0.175 63.012 63.200 -0.022 0.000 0.774 145 S HN 0.400 nan 8.310 nan 0.000 0.501 146 D N 2.019 122.408 120.400 -0.017 0.000 2.264 146 D HA 0.010 4.689 4.640 0.064 0.000 0.208 146 D C 1.775 178.062 176.300 -0.022 0.000 0.966 146 D CA 1.342 55.332 54.000 -0.016 0.000 0.864 146 D CB -0.149 40.647 40.800 -0.007 0.000 0.933 146 D HN 0.793 nan 8.370 nan 0.000 0.499 147 I N -4.417 116.141 120.570 -0.021 0.000 4.471 147 I HA 0.223 4.431 4.170 0.064 0.000 0.326 147 I C 0.458 176.540 176.117 -0.057 0.000 1.300 147 I CA -0.064 61.218 61.300 -0.031 0.000 1.237 147 I CB 1.188 39.190 38.000 0.003 0.000 1.195 147 I HN -0.258 nan 8.210 nan 0.000 0.427 148 T N 1.747 116.268 114.554 -0.053 0.000 2.956 148 T HA 0.327 4.715 4.350 0.064 0.000 0.312 148 T C -0.055 174.596 174.700 -0.082 0.000 1.151 148 T CA -0.685 61.365 62.100 -0.084 0.000 1.024 148 T CB 1.828 70.637 68.868 -0.098 0.000 1.140 148 T HN 0.424 nan 8.240 nan 0.000 0.473 149 K N 2.563 122.914 120.400 -0.082 0.000 2.417 149 K HA 0.568 4.926 4.320 0.064 0.000 0.196 149 K C 0.720 177.283 176.600 -0.060 0.000 1.023 149 K CA -0.352 55.898 56.287 -0.062 0.000 1.122 149 K CB 0.241 32.709 32.500 -0.052 0.000 0.850 149 K HN 0.501 nan 8.250 nan 0.000 0.521 150 A N 2.096 124.857 122.820 -0.099 0.000 2.548 150 A HA -0.063 4.295 4.320 0.064 0.000 0.247 150 A C 0.556 178.102 177.584 -0.063 0.000 1.067 150 A CA 0.151 52.138 52.037 -0.085 0.000 0.757 150 A CB 0.091 18.973 19.000 -0.196 0.000 0.996 150 A HN 0.490 nan 8.150 nan 0.000 0.504 151 D N 1.996 122.438 120.400 0.069 0.000 2.178 151 D HA -0.198 4.480 4.640 0.064 0.000 0.202 151 D C 1.323 177.699 176.300 0.127 0.000 0.974 151 D CA 2.043 56.096 54.000 0.089 0.000 0.841 151 D CB -0.224 40.652 40.800 0.127 0.000 0.953 151 D HN 0.722 nan 8.370 nan 0.000 0.478 152 F N -0.648 119.327 119.950 0.042 0.000 2.699 152 F HA 0.179 4.745 4.527 0.065 0.000 0.298 152 F C 0.984 176.880 175.800 0.159 0.000 1.154 152 F CA 0.339 58.407 58.000 0.113 0.000 1.457 152 F CB -0.194 38.875 39.000 0.115 0.000 1.106 152 F HN -0.067 nan 8.300 nan 0.000 0.585 153 L N 0.754 121.681 121.223 -0.492 0.000 2.769 153 L HA 0.194 4.573 4.340 0.064 0.000 0.240 153 L C 1.896 178.674 176.870 -0.154 0.000 1.163 153 L CA 0.359 54.971 54.840 -0.380 0.000 0.962 153 L CB -0.060 41.662 42.059 -0.562 0.000 1.258 153 L HN 0.348 nan 8.230 nan 0.000 0.513 154 S N -2.558 113.097 115.700 -0.075 0.000 2.503 154 S HA 0.056 4.565 4.470 0.064 0.000 0.215 154 S C 0.398 174.992 174.600 -0.010 0.000 1.003 154 S CA -0.147 58.031 58.200 -0.037 0.000 0.910 154 S CB 0.247 63.439 63.200 -0.013 0.000 0.790 154 S HN 0.312 nan 8.310 nan 0.000 0.514 155 D N 0.921 121.325 120.400 0.006 0.000 2.890 155 D HA 0.352 5.031 4.640 0.064 0.000 0.233 155 D C -2.540 173.769 176.300 0.016 0.000 1.306 155 D CA -1.934 52.076 54.000 0.017 0.000 0.929 155 D CB 2.220 43.039 40.800 0.032 0.000 1.512 155 D HN -0.139 nan 8.370 nan 0.000 0.568 156 P HA -0.029 nan 4.420 nan 0.000 0.228 156 P C 0.247 177.557 177.300 0.016 0.000 1.151 156 P CA 0.650 63.755 63.100 0.008 0.000 0.770 156 P CB 0.389 32.107 31.700 0.031 0.000 0.786 157 N N -0.505 118.211 118.700 0.027 0.000 2.234 157 N HA 0.087 4.866 4.740 0.064 0.000 0.227 157 N C 0.180 175.717 175.510 0.045 0.000 1.151 157 N CA 0.016 53.085 53.050 0.033 0.000 0.865 157 N CB 0.723 39.227 38.487 0.027 0.000 1.066 157 N HN 0.236 nan 8.380 nan 0.000 0.515 158 K N 1.375 121.812 120.400 0.062 0.000 2.234 158 K HA 0.412 4.771 4.320 0.064 0.000 0.277 158 K C -0.179 176.505 176.600 0.141 0.000 1.038 158 K CA -0.312 56.033 56.287 0.097 0.000 0.888 158 K CB 1.786 34.351 32.500 0.108 0.000 1.091 158 K HN -0.045 nan 8.250 nan 0.000 0.467 159 I N 2.496 123.151 120.570 0.141 0.000 2.385 159 I HA 0.143 4.352 4.170 0.064 0.000 0.294 159 I C 0.079 176.359 176.117 0.271 0.000 0.988 159 I CA -0.296 61.121 61.300 0.195 0.000 1.265 159 I CB 1.780 39.843 38.000 0.104 0.000 1.388 159 I HN 0.449 nan 8.210 nan 0.000 0.480 160 T N 7.234 122.034 114.554 0.411 0.000 2.786 160 T HA 0.354 4.743 4.350 0.064 0.000 0.283 160 T C -2.475 172.478 174.700 0.423 0.000 0.992 160 T CA -1.383 60.984 62.100 0.444 0.000 0.954 160 T CB 1.659 70.908 68.868 0.635 0.000 0.934 160 T HN 0.262 nan 8.240 nan 0.000 0.440 161 P HA 0.291 nan 4.420 nan 0.000 0.269 161 P C -0.649 176.887 177.300 0.392 0.000 1.209 161 P CA -0.428 62.861 63.100 0.316 0.000 0.776 161 P CB 0.567 32.372 31.700 0.174 0.000 0.876 162 V N -0.335 119.755 119.914 0.292 0.000 3.102 162 V HA 0.754 4.913 4.120 0.064 0.000 0.312 162 V C -1.390 174.869 176.094 0.275 0.000 1.135 162 V CA -0.966 61.414 62.300 0.132 0.000 1.022 162 V CB 2.288 33.962 31.823 -0.247 0.000 1.056 162 V HN 0.338 nan 8.190 nan 0.000 0.436 163 F N 1.746 121.686 119.950 -0.017 0.000 2.562 163 F HA 0.832 5.397 4.527 0.063 0.000 0.319 163 F C -1.009 174.692 175.800 -0.165 0.000 1.154 163 F CA -0.716 57.213 58.000 -0.118 0.000 0.931 163 F CB 1.952 40.917 39.000 -0.058 0.000 1.198 163 F HN 0.523 nan 8.300 nan 0.000 0.444 164 V N 6.720 126.144 119.914 -0.817 0.000 2.495 164 V HA 0.569 4.727 4.120 0.064 0.000 0.298 164 V C -0.601 174.805 176.094 -1.148 0.000 1.031 164 V CA -0.799 60.958 62.300 -0.905 0.000 0.871 164 V CB 1.903 33.148 31.823 -0.964 0.000 0.988 164 V HN 0.740 nan 8.190 nan 0.000 0.432 165 R N 3.665 123.500 120.500 -1.109 0.000 2.437 165 R HA 0.614 4.992 4.340 0.064 0.000 0.310 165 R C -1.580 174.097 176.300 -1.039 0.000 0.955 165 R CA -0.443 55.091 56.100 -0.944 0.000 0.851 165 R CB 1.143 31.079 30.300 -0.607 0.000 1.161 165 R HN 0.554 nan 8.270 nan 0.000 0.446 166 F N 1.956 121.480 119.950 -0.709 0.000 2.425 166 F HA 0.472 5.038 4.527 0.065 0.000 0.331 166 F C 0.485 175.920 175.800 -0.608 0.000 1.085 166 F CA -0.268 57.192 58.000 -0.900 0.000 1.028 166 F CB 2.102 40.050 39.000 -1.753 0.000 1.177 166 F HN 0.555 nan 8.300 nan 0.000 0.487 167 S N -0.848 114.781 115.700 -0.119 0.000 2.607 167 S HA 0.680 5.188 4.470 0.064 0.000 0.273 167 S C -0.485 174.262 174.600 0.244 0.000 1.148 167 S CA -0.888 57.386 58.200 0.124 0.000 0.833 167 S CB 1.463 64.787 63.200 0.207 0.000 1.130 167 S HN 0.701 nan 8.310 nan 0.000 0.470 168 T N -1.425 113.270 114.554 0.234 0.000 2.865 168 T HA 0.645 5.034 4.350 0.064 0.000 0.302 168 T C 0.812 175.487 174.700 -0.042 0.000 1.078 168 T CA -0.153 62.042 62.100 0.159 0.000 0.942 168 T CB 0.199 69.162 68.868 0.158 0.000 1.387 168 T HN 0.558 nan 8.240 nan 0.000 0.557 169 V N -0.136 119.707 119.914 -0.117 0.000 2.948 169 V HA 0.130 4.288 4.120 0.064 0.000 0.234 169 V C 2.708 178.729 176.094 -0.122 0.000 1.205 169 V CA 0.332 62.428 62.300 -0.340 0.000 1.234 169 V CB -0.212 31.487 31.823 -0.207 0.000 1.020 169 V HN 0.863 nan 8.190 nan 0.000 0.491 170 Q N 1.099 120.867 119.800 -0.055 0.000 2.123 170 Q HA 0.086 4.464 4.340 0.064 0.000 0.196 170 Q C 1.248 177.229 176.000 -0.031 0.000 0.958 170 Q CA 1.334 57.104 55.803 -0.054 0.000 0.841 170 Q CB -0.098 28.595 28.738 -0.075 0.000 0.915 170 Q HN 0.579 nan 8.270 nan 0.000 0.455 171 G N -0.097 108.698 108.800 -0.007 0.000 2.572 171 G HA2 0.415 4.413 3.960 0.064 0.000 0.261 171 G HA3 0.415 4.413 3.960 0.064 0.000 0.261 171 G C 0.096 175.007 174.900 0.019 0.000 1.197 171 G CA 0.047 45.147 45.100 0.000 0.000 0.870 171 G HN 0.322 nan 8.290 nan 0.000 0.548 172 G N -1.059 107.747 108.800 0.010 0.000 2.684 172 G HA2 0.461 4.459 3.960 0.064 0.000 0.255 172 G HA3 0.461 4.459 3.960 0.064 0.000 0.255 172 G C 1.344 176.276 174.900 0.053 0.000 1.219 172 G CA 0.431 45.547 45.100 0.026 0.000 0.901 172 G HN 1.110 nan 8.290 nan 0.000 0.548 173 A N -0.412 122.450 122.820 0.070 0.000 2.076 173 A HA 0.122 4.480 4.320 0.064 0.000 0.220 173 A C 2.155 179.779 177.584 0.066 0.000 1.160 173 A CA 1.924 54.020 52.037 0.099 0.000 0.653 173 A CB -0.267 18.809 19.000 0.128 0.000 0.801 173 A HN 1.165 nan 8.150 nan 0.000 0.455 174 G N -0.252 108.568 108.800 0.034 0.000 3.434 174 G HA2 0.358 4.357 3.960 0.064 0.000 0.258 174 G HA3 0.358 4.357 3.960 0.064 0.000 0.258 174 G C 0.626 175.530 174.900 0.006 0.000 1.128 174 G CA 0.644 45.750 45.100 0.009 0.000 0.792 174 G HN 0.630 nan 8.290 nan 0.000 0.539 175 S N -0.211 115.501 115.700 0.021 0.000 2.671 175 S HA 0.771 5.279 4.470 0.064 0.000 0.272 175 S C 0.434 175.050 174.600 0.027 0.000 1.174 175 S CA -0.103 58.106 58.200 0.015 0.000 1.004 175 S CB 1.564 64.775 63.200 0.018 0.000 1.077 175 S HN 0.561 nan 8.310 nan 0.000 0.553 176 A N -0.010 122.823 122.820 0.021 0.000 2.293 176 A HA 0.485 4.843 4.320 0.064 0.000 0.302 176 A C 0.520 178.130 177.584 0.044 0.000 1.119 176 A CA -0.630 51.417 52.037 0.017 0.000 0.823 176 A CB 0.026 19.019 19.000 -0.012 0.000 1.097 176 A HN 0.835 nan 8.150 nan 0.000 0.491 177 D N 0.502 120.918 120.400 0.026 0.000 2.103 177 D HA -0.069 4.609 4.640 0.064 0.000 0.199 177 D C 1.605 177.893 176.300 -0.020 0.000 0.978 177 D CA 2.297 56.325 54.000 0.045 0.000 0.829 177 D CB -0.265 40.516 40.800 -0.032 0.000 0.981 177 D HN 0.673 nan 8.370 nan 0.000 0.464 178 T N -0.066 114.397 114.554 -0.152 0.000 3.418 178 T HA 0.291 4.679 4.350 0.064 0.000 0.239 178 T C 0.802 175.499 174.700 -0.004 0.000 0.905 178 T CA -0.580 61.428 62.100 -0.154 0.000 0.929 178 T CB -0.997 67.700 68.868 -0.285 0.000 1.121 178 T HN -0.076 nan 8.240 nan 0.000 0.608 179 V N -1.257 118.705 119.914 0.080 0.000 3.319 179 V HA 0.448 4.607 4.120 0.064 0.000 0.303 179 V C 0.696 176.934 176.094 0.241 0.000 1.094 179 V CA -1.439 60.955 62.300 0.157 0.000 1.106 179 V CB 0.444 32.344 31.823 0.129 0.000 1.099 179 V HN 0.564 nan 8.190 nan 0.000 0.476 180 R N 1.621 122.310 120.500 0.315 0.000 2.216 180 R HA 0.474 4.853 4.340 0.064 0.000 0.332 180 R C -0.980 175.396 176.300 0.127 0.000 1.056 180 R CA -0.069 56.165 56.100 0.223 0.000 0.901 180 R CB 0.145 30.496 30.300 0.085 0.000 1.039 180 R HN 1.059 nan 8.270 nan 0.000 0.456 181 D N 3.313 123.800 120.400 0.145 0.000 2.710 181 D HA 0.186 4.865 4.640 0.064 0.000 0.276 181 D C -0.569 175.841 176.300 0.182 0.000 1.267 181 D CA -0.614 53.461 54.000 0.126 0.000 0.772 181 D CB 1.220 42.086 40.800 0.111 0.000 1.299 181 D HN 0.223 nan 8.370 nan 0.000 0.421 182 I N 1.253 121.949 120.570 0.209 0.000 2.882 182 I HA 0.238 4.447 4.170 0.064 0.000 0.286 182 I C 0.831 177.082 176.117 0.223 0.000 1.139 182 I CA -0.076 61.358 61.300 0.224 0.000 1.379 182 I CB 0.069 38.230 38.000 0.269 0.000 1.410 182 I HN 0.245 nan 8.210 nan 0.000 0.594 183 R N 2.607 123.262 120.500 0.258 0.000 2.589 183 R HA 0.551 4.929 4.340 0.064 0.000 0.293 183 R C -0.059 176.432 176.300 0.318 0.000 0.963 183 R CA -0.749 55.523 56.100 0.286 0.000 0.905 183 R CB 1.421 31.911 30.300 0.317 0.000 1.144 183 R HN 0.806 nan 8.270 nan 0.000 0.459 184 G N 0.987 109.994 108.800 0.346 0.000 2.448 184 G HA2 0.475 4.473 3.960 0.064 0.000 0.285 184 G HA3 0.475 4.473 3.960 0.064 0.000 0.285 184 G C -1.246 173.737 174.900 0.138 0.000 1.176 184 G CA -0.051 45.229 45.100 0.300 0.000 0.852 184 G HN 0.364 nan 8.290 nan 0.000 0.530 185 F N 1.752 121.601 119.950 -0.167 0.000 3.090 185 F HA 0.624 5.189 4.527 0.063 0.000 0.381 185 F C -0.270 175.224 175.800 -0.509 0.000 1.231 185 F CA -1.813 55.981 58.000 -0.344 0.000 1.177 185 F CB 0.965 39.884 39.000 -0.135 0.000 1.598 185 F HN 0.671 nan 8.300 nan 0.000 0.589 186 A N 3.284 125.829 122.820 -0.458 0.000 2.303 186 A HA 0.785 5.143 4.320 0.064 0.000 0.320 186 A C -0.592 176.542 177.584 -0.751 0.000 1.192 186 A CA -0.446 51.152 52.037 -0.733 0.000 0.821 186 A CB 0.835 19.020 19.000 -1.359 0.000 1.188 186 A HN 0.520 nan 8.150 nan 0.000 0.492 187 T N 2.367 116.650 114.554 -0.451 0.000 2.809 187 T HA 0.380 4.768 4.350 0.064 0.000 0.284 187 T C -0.303 174.218 174.700 -0.300 0.000 0.992 187 T CA -0.469 61.370 62.100 -0.436 0.000 0.957 187 T CB 1.034 69.576 68.868 -0.544 0.000 0.942 187 T HN 0.639 nan 8.240 nan 0.000 0.439 188 K N 3.574 123.882 120.400 -0.152 0.000 2.253 188 K HA 0.433 4.792 4.320 0.064 0.000 0.277 188 K C -1.254 175.018 176.600 -0.547 0.000 1.053 188 K CA -0.558 55.534 56.287 -0.324 0.000 0.892 188 K CB 0.319 32.558 32.500 -0.436 0.000 1.102 188 K HN 0.382 nan 8.250 nan 0.000 0.469 189 F N 4.243 123.903 119.950 -0.483 0.000 2.405 189 F HA 0.239 4.803 4.527 0.062 0.000 0.355 189 F C -0.433 175.173 175.800 -0.324 0.000 1.121 189 F CA -0.557 57.233 58.000 -0.350 0.000 1.112 189 F CB 0.746 39.437 39.000 -0.515 0.000 1.126 189 F HN 0.439 nan 8.300 nan 0.000 0.481 190 Y N 1.803 122.162 120.300 0.098 0.000 2.714 190 Y HA 0.239 4.827 4.550 0.064 0.000 0.333 190 Y C 0.960 176.919 175.900 0.097 0.000 1.220 190 Y CA -0.887 57.253 58.100 0.067 0.000 1.513 190 Y CB -0.021 38.467 38.460 0.047 0.000 1.435 190 Y HN 0.547 nan 8.280 nan 0.000 0.489 191 T N -2.417 112.238 114.554 0.168 0.000 2.874 191 T HA 0.162 4.551 4.350 0.064 0.000 0.281 191 T C 1.035 175.831 174.700 0.161 0.000 0.994 191 T CA -0.725 61.479 62.100 0.174 0.000 1.015 191 T CB 1.099 70.042 68.868 0.125 0.000 1.028 191 T HN 0.652 nan 8.240 nan 0.000 0.523 192 E N 0.223 120.522 120.200 0.165 0.000 2.333 192 E HA -0.097 4.291 4.350 0.064 0.000 0.198 192 E C 1.153 177.822 176.600 0.116 0.000 1.007 192 E CA 0.909 57.388 56.400 0.131 0.000 0.845 192 E CB 0.095 29.868 29.700 0.122 0.000 0.766 192 E HN 0.738 nan 8.360 nan 0.000 0.507 193 E N -0.082 120.190 120.200 0.120 0.000 2.624 193 E HA 0.241 4.630 4.350 0.064 0.000 0.210 193 E C 0.185 176.839 176.600 0.090 0.000 0.997 193 E CA -0.120 56.344 56.400 0.106 0.000 0.999 193 E CB 1.311 31.078 29.700 0.111 0.000 1.040 193 E HN 0.186 nan 8.360 nan 0.000 0.469 194 G N 1.193 110.042 108.800 0.081 0.000 2.392 194 G HA2 -0.105 3.893 3.960 0.064 0.000 0.677 194 G HA3 -0.105 3.893 3.960 0.064 0.000 0.677 194 G C -0.911 174.003 174.900 0.024 0.000 1.334 194 G CA -1.119 44.008 45.100 0.044 0.000 0.961 194 G HN 0.007 nan 8.290 nan 0.000 0.616 195 I N 0.678 121.228 120.570 -0.033 0.000 2.533 195 I HA 0.348 4.556 4.170 0.064 0.000 0.284 195 I C 0.123 176.250 176.117 0.016 0.000 1.109 195 I CA 0.019 61.270 61.300 -0.082 0.000 1.412 195 I CB 0.527 38.405 38.000 -0.203 0.000 1.396 195 I HN 0.449 nan 8.210 nan 0.000 0.543 196 F N 6.703 126.545 119.950 -0.181 0.000 2.449 196 F HA 0.446 5.010 4.527 0.062 0.000 0.342 196 F C -0.496 175.259 175.800 -0.075 0.000 1.127 196 F CA -1.296 56.593 58.000 -0.184 0.000 0.975 196 F CB 0.766 39.483 39.000 -0.472 0.000 1.146 196 F HN 0.358 nan 8.300 nan 0.000 0.444 197 D N 6.888 127.069 120.400 -0.365 0.000 2.280 197 D HA 0.253 4.932 4.640 0.064 0.000 0.236 197 D C -0.645 175.163 176.300 -0.820 0.000 1.082 197 D CA 0.009 53.745 54.000 -0.440 0.000 0.834 197 D CB 2.299 43.041 40.800 -0.097 0.000 1.100 197 D HN 0.619 nan 8.370 nan 0.000 0.486 198 L N 3.123 123.830 121.223 -0.860 0.000 2.264 198 L HA 0.300 4.678 4.340 0.064 0.000 0.287 198 L C -1.017 175.624 176.870 -0.383 0.000 1.039 198 L CA -0.613 53.803 54.840 -0.706 0.000 0.829 198 L CB 0.738 42.427 42.059 -0.616 0.000 1.211 198 L HN 0.053 nan 8.230 nan 0.000 0.427 199 V N 5.505 125.235 119.914 -0.307 0.000 2.257 199 V HA 0.539 4.698 4.120 0.064 0.000 0.269 199 V C 0.716 176.707 176.094 -0.173 0.000 1.040 199 V CA -0.319 61.813 62.300 -0.280 0.000 0.813 199 V CB 0.666 32.284 31.823 -0.342 0.000 1.065 199 V HN 0.836 nan 8.190 nan 0.000 0.457 200 G N 3.320 112.034 108.800 -0.143 0.000 2.932 200 G HA2 0.701 4.699 3.960 0.064 0.000 0.283 200 G HA3 0.701 4.699 3.960 0.064 0.000 0.283 200 G C -0.949 173.975 174.900 0.039 0.000 1.336 200 G CA -0.578 44.493 45.100 -0.047 0.000 1.056 200 G HN 0.485 nan 8.290 nan 0.000 0.522 201 N N -1.180 117.591 118.700 0.119 0.000 2.831 201 N HA 0.235 5.013 4.740 0.064 0.000 0.276 201 N C 0.261 175.955 175.510 0.306 0.000 1.416 201 N CA -0.720 52.459 53.050 0.215 0.000 0.799 201 N CB 1.419 40.017 38.487 0.185 0.000 1.554 201 N HN 0.514 nan 8.380 nan 0.000 0.541 202 N N -1.268 117.630 118.700 0.329 0.000 2.322 202 N HA -0.006 4.772 4.740 0.064 0.000 0.194 202 N C -0.393 175.379 175.510 0.437 0.000 1.126 202 N CA -0.023 53.278 53.050 0.418 0.000 0.845 202 N CB -0.138 38.568 38.487 0.364 0.000 0.976 202 N HN 0.563 nan 8.380 nan 0.000 0.475 203 T N -3.782 110.828 114.554 0.093 0.000 2.906 203 T HA 0.474 4.863 4.350 0.064 0.000 0.295 203 T C -2.674 171.374 174.700 -1.086 0.000 1.075 203 T CA -1.598 60.090 62.100 -0.686 0.000 1.005 203 T CB 2.923 71.268 68.868 -0.872 0.000 1.136 203 T HN -0.234 nan 8.240 nan 0.000 0.498 204 P HA 0.237 nan 4.420 nan 0.000 0.255 204 P C 0.294 177.080 177.300 -0.857 0.000 1.248 204 P CA -0.022 62.185 63.100 -1.488 0.000 0.807 204 P CB -0.091 30.689 31.700 -1.533 0.000 1.150 205 I N -4.361 115.679 120.570 -0.883 0.000 3.343 205 I HA 0.565 4.774 4.170 0.064 0.000 0.315 205 I C -1.360 174.499 176.117 -0.429 0.000 1.153 205 I CA -2.010 58.923 61.300 -0.612 0.000 0.952 205 I CB 1.278 38.882 38.000 -0.660 0.000 1.287 205 I HN -0.237 nan 8.210 nan 0.000 0.472 206 F N -0.064 119.601 119.950 -0.475 0.000 2.639 206 F HA 0.513 5.080 4.527 0.066 0.000 0.339 206 F C 0.308 175.852 175.800 -0.427 0.000 1.071 206 F CA -0.750 57.001 58.000 -0.416 0.000 0.994 206 F CB 2.062 40.964 39.000 -0.163 0.000 1.341 206 F HN 0.367 nan 8.300 nan 0.000 0.498 207 F N 2.018 121.164 119.950 -1.340 0.000 2.367 207 F HA 0.088 4.653 4.527 0.063 0.000 0.298 207 F C 0.640 176.141 175.800 -0.500 0.000 1.094 207 F CA 0.750 58.162 58.000 -0.981 0.000 1.409 207 F CB 0.049 38.039 39.000 -1.682 0.000 1.064 207 F HN 0.136 nan 8.300 nan 0.000 0.528 208 I N -3.390 117.157 120.570 -0.039 0.000 3.042 208 I HA 0.366 4.574 4.170 0.064 0.000 0.310 208 I C 0.332 176.612 176.117 0.272 0.000 1.117 208 I CA -0.817 60.588 61.300 0.175 0.000 1.003 208 I CB 1.935 40.107 38.000 0.286 0.000 1.228 208 I HN -0.167 nan 8.210 nan 0.000 0.443 209 Q N 0.346 120.299 119.800 0.255 0.000 2.259 209 Q HA 0.149 4.527 4.340 0.064 0.000 0.201 209 Q C -0.328 175.846 176.000 0.291 0.000 0.938 209 Q CA 0.650 56.640 55.803 0.312 0.000 0.872 209 Q CB 0.508 29.491 28.738 0.409 0.000 0.971 209 Q HN 0.636 nan 8.270 nan 0.000 0.494 210 D N -1.181 119.363 120.400 0.239 0.000 2.649 210 D HA 0.300 4.979 4.640 0.064 0.000 0.249 210 D C 0.044 176.468 176.300 0.206 0.000 1.112 210 D CA -0.175 53.933 54.000 0.180 0.000 0.850 210 D CB 1.840 42.721 40.800 0.135 0.000 1.399 210 D HN 0.052 nan 8.370 nan 0.000 0.503 211 A N 3.422 126.331 122.820 0.149 0.000 1.986 211 A HA -0.266 4.092 4.320 0.064 0.000 0.220 211 A C 1.811 179.511 177.584 0.193 0.000 1.171 211 A CA 1.899 54.017 52.037 0.136 0.000 0.640 211 A CB -0.815 18.206 19.000 0.034 0.000 0.811 211 A HN 0.828 nan 8.150 nan 0.000 0.451 212 H N 0.024 119.152 119.070 0.097 0.000 2.457 212 H HA -0.048 4.545 4.556 0.062 0.000 0.297 212 H C 1.617 177.025 175.328 0.133 0.000 1.092 212 H CA 1.993 58.094 56.048 0.088 0.000 1.309 212 H CB 0.033 29.823 29.762 0.046 0.000 1.382 212 H HN 0.444 nan 8.280 nan 0.000 0.535 213 K N -0.642 119.879 120.400 0.203 0.000 2.444 213 K HA -0.047 4.312 4.320 0.064 0.000 0.193 213 K C 1.504 178.241 176.600 0.229 0.000 1.024 213 K CA 0.102 56.510 56.287 0.203 0.000 1.077 213 K CB 0.033 32.713 32.500 0.300 0.000 0.833 213 K HN 0.290 nan 8.250 nan 0.000 0.517 214 F N 2.945 122.951 119.950 0.092 0.000 2.091 214 F HA -0.169 4.397 4.527 0.064 0.000 0.299 214 F C -0.986 174.820 175.800 0.011 0.000 1.103 214 F CA 1.478 59.555 58.000 0.129 0.000 1.228 214 F CB -0.490 38.571 39.000 0.102 0.000 0.984 214 F HN 0.017 nan 8.300 nan 0.000 0.477 215 P HA -0.134 nan 4.420 nan 0.000 0.218 215 P C 0.976 177.947 177.300 -0.548 0.000 1.149 215 P CA 1.710 64.574 63.100 -0.393 0.000 0.817 215 P CB -0.078 31.408 31.700 -0.357 0.000 0.785 216 D N -1.203 119.026 120.400 -0.286 0.000 2.097 216 D HA -0.162 4.517 4.640 0.064 0.000 0.197 216 D C 1.792 177.788 176.300 -0.507 0.000 0.984 216 D CA 1.085 54.953 54.000 -0.220 0.000 0.826 216 D CB -0.807 40.040 40.800 0.078 0.000 0.973 216 D HN 0.177 nan 8.370 nan 0.000 0.460 217 F N 1.881 121.414 119.950 -0.695 0.000 2.113 217 F HA -0.189 4.375 4.527 0.062 0.000 0.297 217 F C 2.215 177.624 175.800 -0.652 0.000 1.103 217 F CA 1.017 58.392 58.000 -1.041 0.000 1.248 217 F CB -0.197 38.415 39.000 -0.647 0.000 0.999 217 F HN -0.259 nan 8.300 nan 0.000 0.475 218 V N 0.377 119.865 119.914 -0.709 0.000 2.358 218 V HA -0.319 3.839 4.120 0.064 0.000 0.246 218 V C 2.291 178.161 176.094 -0.374 0.000 1.047 218 V CA 2.391 64.316 62.300 -0.626 0.000 1.035 218 V CB -1.077 30.400 31.823 -0.576 0.000 0.658 218 V HN 0.472 nan 8.190 nan 0.000 0.452 219 H N -0.105 118.731 119.070 -0.391 0.000 2.352 219 H HA -0.145 4.449 4.556 0.064 0.000 0.299 219 H C 2.345 177.518 175.328 -0.258 0.000 1.097 219 H CA 1.087 56.985 56.048 -0.250 0.000 1.311 219 H CB 0.013 29.681 29.762 -0.156 0.000 1.377 219 H HN 0.485 nan 8.280 nan 0.000 0.504 220 A N 0.438 123.080 122.820 -0.297 0.000 1.933 220 A HA -0.118 4.241 4.320 0.064 0.000 0.218 220 A C 2.485 179.914 177.584 -0.259 0.000 1.175 220 A CA 1.470 53.329 52.037 -0.297 0.000 0.628 220 A CB -0.657 18.050 19.000 -0.490 0.000 0.814 220 A HN 0.313 nan 8.150 nan 0.000 0.444 221 V N -0.457 119.171 119.914 -0.477 0.000 2.878 221 V HA 0.029 4.188 4.120 0.064 0.000 0.250 221 V C 0.867 176.923 176.094 -0.062 0.000 1.075 221 V CA 0.683 62.785 62.300 -0.329 0.000 1.096 221 V CB -0.451 30.981 31.823 -0.652 0.000 0.724 221 V HN 0.322 nan 8.190 nan 0.000 0.467 222 K N 1.016 121.354 120.400 -0.104 0.000 2.149 222 K HA 0.251 4.610 4.320 0.064 0.000 0.245 222 K C -2.309 174.249 176.600 -0.070 0.000 1.024 222 K CA -1.694 54.547 56.287 -0.077 0.000 0.899 222 K CB -0.225 32.219 32.500 -0.093 0.000 1.038 222 K HN 0.147 nan 8.250 nan 0.000 0.496 223 P HA -0.018 nan 4.420 nan 0.000 0.266 223 P C -0.528 176.707 177.300 -0.109 0.000 1.195 223 P CA 0.404 63.369 63.100 -0.225 0.000 0.768 223 P CB 0.375 31.953 31.700 -0.203 0.000 0.838 224 E N 5.094 125.269 120.200 -0.043 0.000 2.398 224 E HA -0.006 4.382 4.350 0.064 0.000 0.263 224 E C -1.298 175.369 176.600 0.111 0.000 1.046 224 E CA -1.274 55.209 56.400 0.138 0.000 0.908 224 E CB 0.098 30.004 29.700 0.343 0.000 0.963 224 E HN 0.420 nan 8.360 nan 0.000 0.431 225 P HA -0.183 nan 4.420 nan 0.000 0.225 225 P C 0.989 178.353 177.300 0.106 0.000 1.156 225 P CA 1.295 64.429 63.100 0.057 0.000 0.787 225 P CB 0.052 31.767 31.700 0.024 0.000 0.802 226 H N -0.603 118.503 119.070 0.060 0.000 2.326 226 H HA -0.081 4.513 4.556 0.064 0.000 0.301 226 H C 1.464 176.888 175.328 0.160 0.000 1.081 226 H CA 1.461 57.531 56.048 0.037 0.000 1.334 226 H CB -1.364 28.348 29.762 -0.083 0.000 1.385 226 H HN 0.291 nan 8.280 nan 0.000 0.504 227 W N -0.001 120.895 121.300 -0.674 0.000 2.870 227 W HA 0.698 5.396 4.660 0.063 0.000 0.358 227 W C 0.488 176.838 176.519 -0.282 0.000 1.043 227 W CA -1.058 56.045 57.345 -0.404 0.000 1.692 227 W CB -0.763 28.453 29.460 -0.408 0.000 1.100 227 W HN 0.455 nan 8.180 nan 0.000 0.557 228 A N 1.240 124.039 122.820 -0.035 0.000 2.667 228 A HA -0.155 4.204 4.320 0.064 0.000 0.298 228 A C -0.388 176.962 177.584 -0.389 0.000 1.483 228 A CA 1.426 53.363 52.037 -0.166 0.000 0.738 228 A CB -2.410 16.519 19.000 -0.119 0.000 1.067 228 A HN 0.462 nan 8.150 nan 0.000 0.451 229 I N 0.445 120.622 120.570 -0.656 0.000 2.730 229 I HA 0.561 4.769 4.170 0.064 0.000 0.298 229 I C -2.432 173.354 176.117 -0.552 0.000 1.089 229 I CA -2.456 58.362 61.300 -0.804 0.000 1.041 229 I CB 2.941 39.940 38.000 -1.667 0.000 1.235 229 I HN 0.211 nan 8.210 nan 0.000 0.423 230 P HA 0.297 nan 4.420 nan 0.000 0.292 230 P C -1.589 175.556 177.300 -0.259 0.000 1.300 230 P CA -0.818 62.062 63.100 -0.367 0.000 0.900 230 P CB 1.714 33.280 31.700 -0.223 0.000 1.139 231 Q N 0.861 120.550 119.800 -0.185 0.000 2.267 231 Q HA 0.486 4.865 4.340 0.064 0.000 0.255 231 Q C 1.067 177.033 176.000 -0.056 0.000 0.923 231 Q CA 1.029 56.762 55.803 -0.117 0.000 0.925 231 Q CB -0.268 28.410 28.738 -0.100 0.000 1.195 231 Q HN 0.827 nan 8.270 nan 0.000 0.417 232 G N 3.199 111.976 108.800 -0.038 0.000 2.176 232 G HA2 -0.273 3.726 3.960 0.064 0.000 0.252 232 G HA3 -0.273 3.726 3.960 0.064 0.000 0.252 232 G C -0.408 174.508 174.900 0.027 0.000 1.024 232 G CA 0.390 45.492 45.100 0.004 0.000 0.755 232 G HN 0.543 nan 8.290 nan 0.000 0.507 233 Q N -1.013 118.791 119.800 0.006 0.000 2.284 233 Q HA 0.516 4.894 4.340 0.064 0.000 0.269 233 Q C 0.689 176.697 176.000 0.014 0.000 1.026 233 Q CA -0.093 55.738 55.803 0.047 0.000 0.831 233 Q CB 1.732 30.539 28.738 0.116 0.000 1.322 233 Q HN 0.446 nan 8.270 nan 0.000 0.419 234 S N -0.487 115.105 115.700 -0.179 0.000 2.575 234 S HA 0.182 4.690 4.470 0.064 0.000 0.215 234 S C 0.925 175.422 174.600 -0.171 0.000 0.966 234 S CA 0.015 57.863 58.200 -0.586 0.000 0.911 234 S CB 0.318 62.607 63.200 -1.519 0.000 0.780 234 S HN 0.593 nan 8.310 nan 0.000 0.514 235 A N 2.396 125.327 122.820 0.186 0.000 3.048 235 A HA 0.505 4.864 4.320 0.064 0.000 0.264 235 A C 0.144 177.964 177.584 0.393 0.000 1.796 235 A CA -0.568 51.675 52.037 0.343 0.000 1.445 235 A CB -1.234 17.914 19.000 0.247 0.000 1.074 235 A HN 0.881 nan 8.150 nan 0.000 0.621 236 H N -3.735 115.532 119.070 0.329 0.000 3.014 236 H HA 0.504 5.098 4.556 0.063 0.000 0.337 236 H C -0.234 175.298 175.328 0.339 0.000 1.320 236 H CA -0.751 55.460 56.048 0.272 0.000 1.128 236 H CB 0.278 30.157 29.762 0.194 0.000 1.862 236 H HN 0.064 nan 8.280 nan 0.000 0.536 237 D N 0.140 120.732 120.400 0.321 0.000 2.104 237 D HA -0.197 4.481 4.640 0.064 0.000 0.194 237 D C 2.115 178.499 176.300 0.141 0.000 0.994 237 D CA 3.079 57.201 54.000 0.203 0.000 0.830 237 D CB -0.285 40.609 40.800 0.156 0.000 0.959 237 D HN 0.777 nan 8.370 nan 0.000 0.452 238 T N -1.592 113.052 114.554 0.150 0.000 2.788 238 T HA -0.202 4.186 4.350 0.064 0.000 0.268 238 T C 1.907 176.568 174.700 -0.066 0.000 1.044 238 T CA 0.687 62.831 62.100 0.074 0.000 1.139 238 T CB -0.723 68.234 68.868 0.148 0.000 0.867 238 T HN 0.170 nan 8.240 nan 0.000 0.454 239 F N 0.736 120.399 119.950 -0.479 0.000 2.102 239 F HA 0.075 4.640 4.527 0.063 0.000 0.298 239 F C 1.878 177.423 175.800 -0.424 0.000 1.105 239 F CA 0.796 58.430 58.000 -0.611 0.000 1.239 239 F CB -0.565 37.868 39.000 -0.946 0.000 0.991 239 F HN 0.148 nan 8.300 nan 0.000 0.474 240 W N 0.608 121.868 121.300 -0.066 0.000 2.467 240 W HA -0.088 4.611 4.660 0.066 0.000 0.275 240 W C 2.300 178.753 176.519 -0.109 0.000 1.239 240 W CA 1.001 58.291 57.345 -0.091 0.000 1.266 240 W CB -0.605 28.881 29.460 0.043 0.000 1.112 240 W HN 0.076 nan 8.180 nan 0.000 0.576 241 D N -0.513 119.941 120.400 0.090 0.000 2.092 241 D HA -0.304 4.374 4.640 0.064 0.000 0.193 241 D C 1.889 178.197 176.300 0.012 0.000 0.994 241 D CA 1.588 55.623 54.000 0.058 0.000 0.828 241 D CB -0.624 40.221 40.800 0.075 0.000 0.963 241 D HN 0.181 nan 8.370 nan 0.000 0.450 242 Y N 0.468 120.669 120.300 -0.164 0.000 2.081 242 Y HA -0.249 4.339 4.550 0.064 0.000 0.280 242 Y C 2.321 178.089 175.900 -0.221 0.000 1.163 242 Y CA 1.759 59.744 58.100 -0.191 0.000 1.135 242 Y CB -0.476 37.830 38.460 -0.257 0.000 0.970 242 Y HN -0.093 nan 8.280 nan 0.000 0.498 243 V N 0.097 119.884 119.914 -0.211 0.000 2.287 243 V HA -0.365 3.794 4.120 0.064 0.000 0.248 243 V C 2.597 178.634 176.094 -0.095 0.000 1.053 243 V CA 2.300 64.467 62.300 -0.223 0.000 1.027 243 V CB -1.288 30.304 31.823 -0.385 0.000 0.646 243 V HN 0.672 nan 8.190 nan 0.000 0.447 244 S N -0.161 115.530 115.700 -0.014 0.000 2.419 244 S HA -0.079 4.430 4.470 0.064 0.000 0.233 244 S C 1.734 176.304 174.600 -0.049 0.000 1.016 244 S CA 1.403 59.616 58.200 0.022 0.000 0.974 244 S CB -0.509 62.735 63.200 0.073 0.000 0.786 244 S HN 0.558 nan 8.310 nan 0.000 0.492 245 L N 0.040 121.186 121.223 -0.127 0.000 2.567 245 L HA 0.302 4.680 4.340 0.064 0.000 0.225 245 L C 0.561 177.259 176.870 -0.287 0.000 1.119 245 L CA 0.199 54.932 54.840 -0.177 0.000 0.871 245 L CB -0.010 41.948 42.059 -0.169 0.000 1.036 245 L HN 0.269 nan 8.230 nan 0.000 0.459 246 Q N 0.023 119.611 119.800 -0.353 0.000 3.429 246 Q HA 0.215 4.593 4.340 0.064 0.000 0.237 246 Q C -1.956 173.817 176.000 -0.378 0.000 0.932 246 Q CA -1.324 54.221 55.803 -0.429 0.000 0.731 246 Q CB 1.500 29.859 28.738 -0.632 0.000 1.383 246 Q HN -0.013 nan 8.270 nan 0.000 0.446 247 P HA -0.230 nan 4.420 nan 0.000 0.221 247 P C 1.016 178.016 177.300 -0.500 0.000 1.145 247 P CA 1.142 63.996 63.100 -0.409 0.000 0.795 247 P CB 0.248 31.691 31.700 -0.427 0.000 0.775 248 E N 0.819 120.561 120.200 -0.763 0.000 2.273 248 E HA -0.207 4.181 4.350 0.064 0.000 0.198 248 E C 1.461 178.004 176.600 -0.095 0.000 1.002 248 E CA 1.956 58.163 56.400 -0.322 0.000 0.828 248 E CB -1.319 28.264 29.700 -0.195 0.000 0.747 248 E HN 0.301 nan 8.360 nan 0.000 0.491 249 T N -0.746 113.755 114.554 -0.089 0.000 3.035 249 T HA 0.008 4.396 4.350 0.064 0.000 0.268 249 T C 1.913 176.668 174.700 0.093 0.000 1.109 249 T CA 0.512 62.627 62.100 0.025 0.000 1.119 249 T CB -0.280 68.627 68.868 0.064 0.000 0.900 249 T HN 0.158 nan 8.240 nan 0.000 0.503 250 L N -0.047 121.237 121.223 0.102 0.000 2.201 250 L HA -0.023 4.356 4.340 0.064 0.000 0.212 250 L C 2.829 179.862 176.870 0.271 0.000 1.105 250 L CA 1.487 56.462 54.840 0.225 0.000 0.775 250 L CB -0.710 41.498 42.059 0.250 0.000 0.913 250 L HN 0.477 nan 8.230 nan 0.000 0.440 251 H N 0.060 119.170 119.070 0.066 0.000 2.293 251 H HA -0.198 4.397 4.556 0.064 0.000 0.300 251 H C 2.088 177.401 175.328 -0.025 0.000 1.082 251 H CA 1.764 57.845 56.048 0.055 0.000 1.308 251 H CB 0.238 30.006 29.762 0.010 0.000 1.375 251 H HN 0.359 nan 8.280 nan 0.000 0.495 252 N N -0.036 118.459 118.700 -0.342 0.000 2.309 252 N HA -0.118 4.660 4.740 0.064 0.000 0.182 252 N C 1.898 177.212 175.510 -0.327 0.000 1.018 252 N CA 0.621 53.240 53.050 -0.718 0.000 0.876 252 N CB 0.309 37.872 38.487 -1.540 0.000 0.972 252 N HN 0.130 nan 8.380 nan 0.000 0.434 253 V N 1.563 121.519 119.914 0.071 0.000 2.343 253 V HA -0.236 3.923 4.120 0.064 0.000 0.247 253 V C 2.472 178.697 176.094 0.218 0.000 1.051 253 V CA 1.209 63.703 62.300 0.322 0.000 1.036 253 V CB -0.331 31.747 31.823 0.426 0.000 0.654 253 V HN 0.397 nan 8.190 nan 0.000 0.451 254 M N -1.594 118.166 119.600 0.266 0.000 2.108 254 M HA -0.199 4.319 4.480 0.064 0.000 0.261 254 M C 2.094 178.389 176.300 -0.009 0.000 1.066 254 M CA 1.841 57.303 55.300 0.269 0.000 1.107 254 M CB -1.196 31.608 32.600 0.340 0.000 1.356 254 M HN 0.466 nan 8.290 nan 0.000 0.406 255 W N 0.636 121.657 121.300 -0.465 0.000 2.358 255 W HA -0.092 4.608 4.660 0.066 0.000 0.303 255 W C 2.826 179.272 176.519 -0.120 0.000 1.208 255 W CA 1.820 58.874 57.345 -0.486 0.000 1.274 255 W CB -1.025 28.072 29.460 -0.605 0.000 1.138 255 W HN 0.284 nan 8.180 nan 0.000 0.515 256 A N -0.567 122.333 122.820 0.133 0.000 1.933 256 A HA -0.190 4.168 4.320 0.064 0.000 0.218 256 A C 1.942 179.572 177.584 0.078 0.000 1.175 256 A CA 1.780 53.899 52.037 0.137 0.000 0.628 256 A CB -0.626 18.490 19.000 0.192 0.000 0.814 256 A HN 0.099 nan 8.150 nan 0.000 0.444 257 M N 0.735 120.337 119.600 0.003 0.000 2.394 257 M HA 0.006 4.525 4.480 0.064 0.000 0.264 257 M C 1.503 177.842 176.300 0.064 0.000 1.073 257 M CA 0.859 56.098 55.300 -0.101 0.000 1.111 257 M CB -1.492 30.780 32.600 -0.546 0.000 1.401 257 M HN 0.549 nan 8.290 nan 0.000 0.448 258 S N 0.347 116.151 115.700 0.173 0.000 2.634 258 S HA 0.072 4.581 4.470 0.064 0.000 0.261 258 S C 0.741 175.472 174.600 0.219 0.000 1.271 258 S CA -0.421 57.923 58.200 0.239 0.000 0.985 258 S CB 0.986 64.383 63.200 0.328 0.000 0.968 258 S HN 0.186 nan 8.310 nan 0.000 0.568 259 D N 0.251 120.799 120.400 0.246 0.000 2.378 259 D HA 0.016 4.695 4.640 0.064 0.000 0.222 259 D C 1.808 178.253 176.300 0.241 0.000 0.980 259 D CA 0.349 54.512 54.000 0.273 0.000 0.907 259 D CB -0.148 40.877 40.800 0.376 0.000 0.899 259 D HN 0.394 nan 8.370 nan 0.000 0.527 260 R N 0.131 120.769 120.500 0.230 0.000 2.193 260 R HA -0.048 4.330 4.340 0.064 0.000 0.229 260 R C 2.021 178.477 176.300 0.261 0.000 1.110 260 R CA 0.879 57.139 56.100 0.266 0.000 0.988 260 R CB -0.721 29.807 30.300 0.379 0.000 0.871 260 R HN 0.172 nan 8.270 nan 0.000 0.458 261 G N 1.304 110.244 108.800 0.233 0.000 2.679 261 G HA2 -0.026 3.972 3.960 0.064 0.000 0.212 261 G HA3 -0.026 3.972 3.960 0.064 0.000 0.212 261 G C 0.993 176.032 174.900 0.231 0.000 1.137 261 G CA 0.112 45.340 45.100 0.212 0.000 0.787 261 G HN 0.419 nan 8.290 nan 0.000 0.534 262 I N -2.267 118.450 120.570 0.245 0.000 2.917 262 I HA 0.358 4.566 4.170 0.064 0.000 0.292 262 I C -2.883 173.386 176.117 0.253 0.000 1.510 262 I CA -2.586 58.867 61.300 0.255 0.000 0.858 262 I CB 1.879 40.037 38.000 0.263 0.000 1.862 262 I HN -0.262 nan 8.210 nan 0.000 0.615 263 P HA 0.089 nan 4.420 nan 0.000 0.272 263 P C 0.495 177.935 177.300 0.233 0.000 1.223 263 P CA -0.186 63.017 63.100 0.172 0.000 0.784 263 P CB 1.320 33.053 31.700 0.056 0.000 0.923 264 R N 1.647 122.266 120.500 0.198 0.000 2.115 264 R HA 0.009 4.388 4.340 0.064 0.000 0.230 264 R C 0.459 176.903 176.300 0.241 0.000 1.111 264 R CA 1.446 57.710 56.100 0.273 0.000 0.976 264 R CB -0.442 29.990 30.300 0.219 0.000 0.870 264 R HN 0.578 nan 8.270 nan 0.000 0.445 265 S N -2.775 112.862 115.700 -0.105 0.000 2.565 265 S HA 0.193 4.701 4.470 0.064 0.000 0.274 265 S C -0.370 173.922 174.600 -0.513 0.000 1.144 265 S CA -0.865 57.122 58.200 -0.355 0.000 0.849 265 S CB 0.053 63.175 63.200 -0.130 0.000 1.103 265 S HN 0.102 nan 8.310 nan 0.000 0.455 266 Y N 2.420 122.351 120.300 -0.615 0.000 2.403 266 Y HA 0.047 4.636 4.550 0.065 0.000 0.291 266 Y C 2.323 177.851 175.900 -0.619 0.000 1.143 266 Y CA 1.131 58.735 58.100 -0.827 0.000 1.257 266 Y CB -0.342 37.252 38.460 -1.443 0.000 0.984 266 Y HN 0.586 nan 8.280 nan 0.000 0.550 267 R N -0.568 119.791 120.500 -0.235 0.000 2.235 267 R HA -0.029 4.349 4.340 0.064 0.000 0.213 267 R C 1.057 177.306 176.300 -0.084 0.000 1.059 267 R CA 1.495 57.510 56.100 -0.142 0.000 0.997 267 R CB -0.414 29.803 30.300 -0.138 0.000 0.884 267 R HN 0.329 nan 8.270 nan 0.000 0.462 268 T N -1.975 112.549 114.554 -0.051 0.000 3.355 268 T HA 0.344 4.732 4.350 0.064 0.000 0.276 268 T C 0.184 174.919 174.700 0.059 0.000 1.003 268 T CA -0.709 61.392 62.100 0.002 0.000 0.943 268 T CB -0.055 68.803 68.868 -0.017 0.000 1.158 268 T HN 0.077 nan 8.240 nan 0.000 0.513 269 M N -0.985 118.688 119.600 0.121 0.000 2.644 269 M HA 0.745 5.263 4.480 0.064 0.000 0.304 269 M C -1.058 175.414 176.300 0.287 0.000 1.215 269 M CA -0.922 54.493 55.300 0.191 0.000 0.871 269 M CB 2.027 34.738 32.600 0.186 0.000 1.740 269 M HN -0.154 nan 8.290 nan 0.000 0.464 270 E N 0.408 120.775 120.200 0.279 0.000 2.318 270 E HA 0.625 5.013 4.350 0.064 0.000 0.265 270 E C -0.275 176.393 176.600 0.114 0.000 1.069 270 E CA -0.587 55.904 56.400 0.151 0.000 0.893 270 E CB 1.656 31.343 29.700 -0.023 0.000 1.076 270 E HN 0.857 nan 8.360 nan 0.000 0.414 271 G N 0.933 109.658 108.800 -0.125 0.000 2.453 271 G HA2 0.631 4.630 3.960 0.064 0.000 0.323 271 G HA3 0.631 4.630 3.960 0.064 0.000 0.323 271 G C -1.376 173.112 174.900 -0.686 0.000 1.198 271 G CA -0.428 44.575 45.100 -0.161 0.000 0.959 271 G HN 0.290 nan 8.290 nan 0.000 0.482 272 F N -0.654 119.246 119.950 -0.082 0.000 2.613 272 F HA 0.519 5.084 4.527 0.063 0.000 0.310 272 F C 1.024 176.733 175.800 -0.152 0.000 1.085 272 F CA -0.599 57.269 58.000 -0.221 0.000 0.945 272 F CB 2.566 41.383 39.000 -0.305 0.000 1.298 272 F HN 0.585 nan 8.300 nan 0.000 0.455 273 G N -0.641 108.220 108.800 0.102 0.000 2.985 273 G HA2 0.225 4.223 3.960 0.064 0.000 0.209 273 G HA3 0.225 4.223 3.960 0.064 0.000 0.209 273 G C 0.637 175.601 174.900 0.107 0.000 1.165 273 G CA 0.634 45.843 45.100 0.182 0.000 0.776 273 G HN 0.984 nan 8.290 nan 0.000 0.541 274 C N -1.274 117.983 119.300 -0.072 0.000 5.886 274 C HA -0.157 4.342 4.460 0.064 0.000 0.327 274 C C 0.775 175.469 174.990 -0.493 0.000 2.427 274 C CA 0.729 59.528 59.018 -0.366 0.000 2.191 274 C CB -1.899 25.499 27.740 -0.569 0.000 3.230 274 C HN 0.594 nan 8.230 nan 0.000 0.265 275 H N 0.100 119.193 119.070 0.039 0.000 2.710 275 H HA 0.485 5.081 4.556 0.065 0.000 0.361 275 H C -0.166 175.101 175.328 -0.102 0.000 1.175 275 H CA 0.068 56.042 56.048 -0.124 0.000 1.206 275 H CB 0.736 30.277 29.762 -0.368 0.000 1.750 275 H HN 0.296 nan 8.280 nan 0.000 0.553 276 T N 2.861 117.389 114.554 -0.043 0.000 2.799 276 T HA 0.205 4.593 4.350 0.064 0.000 0.296 276 T C 0.177 174.815 174.700 -0.102 0.000 0.947 276 T CA 0.210 62.270 62.100 -0.066 0.000 1.141 276 T CB -0.426 68.349 68.868 -0.156 0.000 0.891 276 T HN 0.203 nan 8.240 nan 0.000 0.533 277 F N 1.381 121.282 119.950 -0.082 0.000 2.544 277 F HA 0.653 5.217 4.527 0.062 0.000 0.378 277 F C 1.113 176.869 175.800 -0.074 0.000 1.112 277 F CA -1.345 56.637 58.000 -0.031 0.000 1.115 277 F CB 1.270 40.240 39.000 -0.050 0.000 1.436 277 F HN 0.183 nan 8.300 nan 0.000 0.496 278 R N 0.446 121.001 120.500 0.092 0.000 2.740 278 R HA 0.635 5.014 4.340 0.064 0.000 0.282 278 R C -1.614 174.577 176.300 -0.181 0.000 0.969 278 R CA -0.869 55.153 56.100 -0.130 0.000 0.918 278 R CB 1.926 32.084 30.300 -0.237 0.000 1.175 278 R HN 0.425 nan 8.270 nan 0.000 0.464 279 L N 3.621 124.689 121.223 -0.258 0.000 2.309 279 L HA 0.535 4.913 4.340 0.064 0.000 0.282 279 L C -0.477 176.245 176.870 -0.247 0.000 1.036 279 L CA -0.904 53.793 54.840 -0.238 0.000 0.806 279 L CB 1.277 43.200 42.059 -0.226 0.000 1.220 279 L HN 0.354 nan 8.230 nan 0.000 0.429 280 I N 2.789 123.238 120.570 -0.201 0.000 2.447 280 I HA 0.287 4.495 4.170 0.064 0.000 0.287 280 I C -0.266 175.773 176.117 -0.129 0.000 1.023 280 I CA -0.695 60.493 61.300 -0.187 0.000 1.083 280 I CB 1.405 39.306 38.000 -0.165 0.000 1.245 280 I HN 0.636 nan 8.210 nan 0.000 0.434 281 N N 4.869 123.506 118.700 -0.106 0.000 2.448 281 N HA 0.382 5.160 4.740 0.064 0.000 0.274 281 N C 0.824 176.300 175.510 -0.057 0.000 1.239 281 N CA -0.308 52.697 53.050 -0.075 0.000 0.982 281 N CB 0.731 39.181 38.487 -0.062 0.000 1.199 281 N HN 0.526 nan 8.380 nan 0.000 0.576 282 A N -0.478 122.315 122.820 -0.044 0.000 2.019 282 A HA -0.123 4.236 4.320 0.064 0.000 0.219 282 A C 1.517 179.084 177.584 -0.029 0.000 1.164 282 A CA 1.119 53.135 52.037 -0.035 0.000 0.644 282 A CB -0.590 18.395 19.000 -0.026 0.000 0.805 282 A HN 0.698 nan 8.150 nan 0.000 0.449 283 E N -1.230 118.954 120.200 -0.026 0.000 2.482 283 E HA 0.120 4.508 4.350 0.064 0.000 0.196 283 E C 1.336 177.929 176.600 -0.011 0.000 1.047 283 E CA 0.714 57.104 56.400 -0.018 0.000 0.869 283 E CB -0.261 29.429 29.700 -0.016 0.000 0.836 283 E HN 0.811 nan 8.360 nan 0.000 0.520 284 G N 1.995 110.788 108.800 -0.013 0.000 2.157 284 G HA2 -0.322 3.677 3.960 0.064 0.000 0.248 284 G HA3 -0.322 3.677 3.960 0.064 0.000 0.248 284 G C 0.368 175.297 174.900 0.048 0.000 0.979 284 G CA 0.417 45.529 45.100 0.021 0.000 0.650 284 G HN 0.278 nan 8.290 nan 0.000 0.529 285 K N 0.889 121.279 120.400 -0.016 0.000 2.322 285 K HA 0.621 4.980 4.320 0.064 0.000 0.283 285 K C 0.623 177.109 176.600 -0.190 0.000 1.042 285 K CA 0.231 56.483 56.287 -0.057 0.000 0.958 285 K CB 0.445 32.908 32.500 -0.061 0.000 0.984 285 K HN 0.562 nan 8.250 nan 0.000 0.473 286 A N 3.634 126.236 122.820 -0.363 0.000 2.290 286 A HA 0.368 4.727 4.320 0.064 0.000 0.310 286 A C -0.678 176.600 177.584 -0.510 0.000 1.202 286 A CA -0.474 51.179 52.037 -0.640 0.000 0.837 286 A CB 0.973 19.157 19.000 -1.360 0.000 1.139 286 A HN 0.723 nan 8.150 nan 0.000 0.509 287 T N 2.700 116.994 114.554 -0.433 0.000 2.807 287 T HA 0.523 4.911 4.350 0.064 0.000 0.279 287 T C -0.456 174.028 174.700 -0.360 0.000 0.993 287 T CA -0.093 61.803 62.100 -0.340 0.000 0.970 287 T CB 0.367 69.127 68.868 -0.179 0.000 0.950 287 T HN 0.342 nan 8.240 nan 0.000 0.441 288 F N 2.116 121.973 119.950 -0.155 0.000 2.518 288 F HA 0.451 5.015 4.527 0.063 0.000 0.359 288 F C 0.638 176.321 175.800 -0.195 0.000 1.118 288 F CA -0.276 57.628 58.000 -0.160 0.000 1.287 288 F CB 0.431 39.359 39.000 -0.119 0.000 1.132 288 F HN 0.189 nan 8.300 nan 0.000 0.587 289 V N 4.551 124.427 119.914 -0.063 0.000 2.888 289 V HA 0.589 4.747 4.120 0.064 0.000 0.309 289 V C -0.976 174.888 176.094 -0.383 0.000 1.114 289 V CA -0.773 61.334 62.300 -0.323 0.000 0.940 289 V CB 2.096 33.492 31.823 -0.713 0.000 1.021 289 V HN 0.768 nan 8.190 nan 0.000 0.426 290 R N 4.612 124.935 120.500 -0.295 0.000 2.599 290 R HA 0.569 4.948 4.340 0.064 0.000 0.295 290 R C -1.648 174.556 176.300 -0.160 0.000 0.963 290 R CA -0.467 55.490 56.100 -0.238 0.000 0.883 290 R CB 2.114 32.402 30.300 -0.019 0.000 1.171 290 R HN 0.597 nan 8.270 nan 0.000 0.450 291 F N 1.947 121.926 119.950 0.048 0.000 2.399 291 F HA 0.390 4.955 4.527 0.063 0.000 0.334 291 F C 0.969 176.705 175.800 -0.107 0.000 1.097 291 F CA -0.173 57.830 58.000 0.006 0.000 1.076 291 F CB 0.925 39.816 39.000 -0.181 0.000 1.162 291 F HN 0.194 nan 8.300 nan 0.000 0.495 292 H N 0.650 119.725 119.070 0.008 0.000 2.768 292 H HA 0.267 4.862 4.556 0.064 0.000 0.371 292 H C -1.586 173.522 175.328 -0.367 0.000 1.151 292 H CA -1.004 54.939 56.048 -0.176 0.000 1.165 292 H CB 2.042 31.788 29.762 -0.028 0.000 1.722 292 H HN 0.671 nan 8.280 nan 0.000 0.543 293 W N 2.177 123.363 121.300 -0.190 0.000 2.600 293 W HA 0.315 5.012 4.660 0.062 0.000 0.325 293 W C -0.137 176.414 176.519 0.054 0.000 1.034 293 W CA -0.775 56.522 57.345 -0.080 0.000 1.226 293 W CB 1.740 30.989 29.460 -0.351 0.000 1.379 293 W HN 0.296 nan 8.180 nan 0.000 0.466 294 K N 5.653 126.324 120.400 0.450 0.000 2.240 294 K HA 0.406 4.764 4.320 0.064 0.000 0.271 294 K C -2.424 174.407 176.600 0.385 0.000 1.018 294 K CA -1.859 54.628 56.287 0.333 0.000 0.874 294 K CB 1.393 34.042 32.500 0.248 0.000 1.098 294 K HN 0.034 nan 8.250 nan 0.000 0.458 295 P HA 0.063 nan 4.420 nan 0.000 0.282 295 P C 0.335 177.646 177.300 0.018 0.000 1.274 295 P CA -0.136 63.040 63.100 0.126 0.000 0.770 295 P CB 0.811 32.589 31.700 0.129 0.000 0.867 296 L N 2.649 123.827 121.223 -0.074 0.000 2.376 296 L HA -0.075 4.303 4.340 0.064 0.000 0.219 296 L C 2.156 179.007 176.870 -0.031 0.000 1.133 296 L CA 1.088 55.919 54.840 -0.016 0.000 0.816 296 L CB -0.592 41.468 42.059 0.001 0.000 0.933 296 L HN 0.342 nan 8.230 nan 0.000 0.449 297 A N 0.067 122.839 122.820 -0.079 0.000 2.238 297 A HA 0.399 4.758 4.320 0.064 0.000 0.208 297 A C 1.252 178.833 177.584 -0.005 0.000 1.177 297 A CA 0.678 52.686 52.037 -0.047 0.000 0.804 297 A CB -0.452 18.501 19.000 -0.077 0.000 0.823 297 A HN 0.456 nan 8.150 nan 0.000 0.482 298 G N -0.715 108.095 108.800 0.018 0.000 2.746 298 G HA2 -0.133 3.866 3.960 0.064 0.000 0.685 298 G HA3 -0.133 3.866 3.960 0.064 0.000 0.685 298 G C -0.637 174.293 174.900 0.049 0.000 1.350 298 G CA -0.464 44.666 45.100 0.051 0.000 0.837 298 G HN 0.426 nan 8.290 nan 0.000 0.564 299 K N 0.345 120.781 120.400 0.060 0.000 2.234 299 K HA 0.682 5.041 4.320 0.064 0.000 0.277 299 K C 0.230 176.826 176.600 -0.006 0.000 1.038 299 K CA 0.269 56.577 56.287 0.035 0.000 0.888 299 K CB 1.580 34.091 32.500 0.018 0.000 1.091 299 K HN 1.296 nan 8.250 nan 0.000 0.467 300 A N 1.991 124.791 122.820 -0.032 0.000 2.520 300 A HA 0.640 4.998 4.320 0.064 0.000 0.298 300 A C -1.060 176.558 177.584 0.055 0.000 1.051 300 A CA -0.653 51.311 52.037 -0.122 0.000 0.690 300 A CB 1.785 20.504 19.000 -0.468 0.000 1.281 300 A HN 0.522 nan 8.150 nan 0.000 0.402 301 S N 0.506 116.390 115.700 0.307 0.000 2.632 301 S HA 0.725 5.234 4.470 0.064 0.000 0.289 301 S C -0.117 174.799 174.600 0.527 0.000 1.115 301 S CA -0.607 57.821 58.200 0.380 0.000 0.889 301 S CB 1.176 64.586 63.200 0.351 0.000 1.116 301 S HN 0.644 nan 8.310 nan 0.000 0.486 302 L N 1.454 122.880 121.223 0.339 0.000 2.482 302 L HA 0.497 4.876 4.340 0.064 0.000 0.242 302 L C 0.179 177.167 176.870 0.196 0.000 1.210 302 L CA -0.692 54.269 54.840 0.200 0.000 0.819 302 L CB 0.122 42.215 42.059 0.055 0.000 1.203 302 L HN 0.496 nan 8.230 nan 0.000 0.495 303 V N -2.959 116.965 119.914 0.017 0.000 2.975 303 V HA 0.199 4.357 4.120 0.064 0.000 0.318 303 V C 0.656 176.691 176.094 -0.098 0.000 1.077 303 V CA -0.781 61.502 62.300 -0.030 0.000 1.000 303 V CB 1.670 33.441 31.823 -0.087 0.000 1.066 303 V HN 0.966 nan 8.190 nan 0.000 0.452 304 W N 1.456 122.617 121.300 -0.231 0.000 2.355 304 W HA -0.181 4.517 4.660 0.063 0.000 0.309 304 W C 1.767 178.127 176.519 -0.266 0.000 1.206 304 W CA 2.347 59.553 57.345 -0.232 0.000 1.284 304 W CB -0.086 29.217 29.460 -0.261 0.000 1.145 304 W HN 0.985 nan 8.180 nan 0.000 0.502 305 D N 0.378 120.479 120.400 -0.498 0.000 2.149 305 D HA -0.294 4.384 4.640 0.064 0.000 0.198 305 D C 2.135 178.072 176.300 -0.604 0.000 0.990 305 D CA 2.112 55.787 54.000 -0.542 0.000 0.839 305 D CB -0.447 40.287 40.800 -0.110 0.000 0.948 305 D HN 0.366 nan 8.370 nan 0.000 0.460 306 E N -0.396 119.321 120.200 -0.806 0.000 2.028 306 E HA -0.194 4.195 4.350 0.064 0.000 0.191 306 E C 2.058 178.320 176.600 -0.563 0.000 0.988 306 E CA 1.009 56.889 56.400 -0.867 0.000 0.799 306 E CB -0.237 28.857 29.700 -1.009 0.000 0.755 306 E HN 0.303 nan 8.360 nan 0.000 0.447 307 A N 1.254 123.769 122.820 -0.508 0.000 1.908 307 A HA -0.280 4.078 4.320 0.064 0.000 0.218 307 A C 2.180 179.438 177.584 -0.543 0.000 1.181 307 A CA 1.941 53.728 52.037 -0.416 0.000 0.627 307 A CB -0.732 18.150 19.000 -0.197 0.000 0.818 307 A HN 0.464 nan 8.150 nan 0.000 0.445 308 Q N -0.616 118.644 119.800 -0.901 0.000 2.083 308 Q HA -0.162 4.217 4.340 0.064 0.000 0.198 308 Q C 2.163 177.882 176.000 -0.469 0.000 0.969 308 Q CA 1.720 57.005 55.803 -0.864 0.000 0.838 308 Q CB -0.141 27.762 28.738 -1.393 0.000 0.900 308 Q HN 0.676 nan 8.270 nan 0.000 0.436 309 K N -0.002 120.146 120.400 -0.420 0.000 2.148 309 K HA -0.133 4.225 4.320 0.064 0.000 0.204 309 K C 1.996 178.458 176.600 -0.230 0.000 1.050 309 K CA 0.603 56.738 56.287 -0.254 0.000 0.942 309 K CB 0.032 32.428 32.500 -0.174 0.000 0.724 309 K HN 0.179 nan 8.250 nan 0.000 0.446 310 L N 1.258 122.304 121.223 -0.294 0.000 2.217 310 L HA -0.093 4.285 4.340 0.064 0.000 0.211 310 L C 2.165 178.906 176.870 -0.214 0.000 1.107 310 L CA 2.013 56.681 54.840 -0.288 0.000 0.783 310 L CB -0.825 40.979 42.059 -0.426 0.000 0.919 310 L HN 0.308 nan 8.230 nan 0.000 0.442 311 T N -4.038 110.393 114.554 -0.206 0.000 2.803 311 T HA -0.108 4.281 4.350 0.064 0.000 0.269 311 T C 1.836 176.477 174.700 -0.098 0.000 1.052 311 T CA 1.174 63.196 62.100 -0.131 0.000 1.136 311 T CB -0.993 67.811 68.868 -0.107 0.000 0.864 311 T HN 0.378 nan 8.240 nan 0.000 0.467 312 G N 0.913 109.648 108.800 -0.108 0.000 2.441 312 G HA2 0.027 4.026 3.960 0.064 0.000 0.212 312 G HA3 0.027 4.026 3.960 0.064 0.000 0.212 312 G C 1.901 176.760 174.900 -0.069 0.000 1.164 312 G CA -0.285 44.769 45.100 -0.078 0.000 0.811 312 G HN 0.315 nan 8.290 nan 0.000 0.535 313 R N 0.308 120.757 120.500 -0.085 0.000 2.115 313 R HA 0.029 4.408 4.340 0.064 0.000 0.226 313 R C -0.160 176.115 176.300 -0.042 0.000 1.100 313 R CA 0.856 56.918 56.100 -0.063 0.000 0.980 313 R CB -0.181 30.073 30.300 -0.076 0.000 0.875 313 R HN 0.328 nan 8.270 nan 0.000 0.445 314 D N -0.494 119.877 120.400 -0.049 0.000 2.411 314 D HA 0.140 4.818 4.640 0.064 0.000 0.239 314 D C -2.120 174.182 176.300 0.004 0.000 1.307 314 D CA -1.794 52.209 54.000 0.005 0.000 0.930 314 D CB 1.338 42.187 40.800 0.083 0.000 1.395 314 D HN -0.146 nan 8.370 nan 0.000 0.536 315 P HA 0.002 nan 4.420 nan 0.000 0.231 315 P C 0.039 177.345 177.300 0.009 0.000 1.158 315 P CA 0.637 63.726 63.100 -0.017 0.000 0.763 315 P CB 0.480 32.168 31.700 -0.021 0.000 0.805 316 D N -1.471 118.945 120.400 0.027 0.000 2.427 316 D HA 0.074 4.752 4.640 0.064 0.000 0.224 316 D C 1.201 177.533 176.300 0.053 0.000 1.157 316 D CA -0.430 53.590 54.000 0.033 0.000 0.828 316 D CB -0.524 40.275 40.800 -0.002 0.000 0.974 316 D HN 0.129 nan 8.370 nan 0.000 0.498 317 F N 1.239 121.128 119.950 -0.101 0.000 2.126 317 F HA -0.233 4.332 4.527 0.064 0.000 0.299 317 F C 2.039 177.809 175.800 -0.049 0.000 1.096 317 F CA 1.864 59.799 58.000 -0.107 0.000 1.255 317 F CB 0.088 38.968 39.000 -0.199 0.000 0.997 317 F HN 0.101 nan 8.300 nan 0.000 0.479 318 H N -1.239 117.734 119.070 -0.161 0.000 2.372 318 H HA -0.055 4.539 4.556 0.064 0.000 0.301 318 H C 2.371 177.596 175.328 -0.172 0.000 1.065 318 H CA 0.809 56.627 56.048 -0.382 0.000 1.364 318 H CB -0.109 29.258 29.762 -0.658 0.000 1.406 318 H HN 0.160 nan 8.280 nan 0.000 0.521 319 R N 1.332 121.927 120.500 0.159 0.000 2.083 319 R HA -0.164 4.214 4.340 0.064 0.000 0.237 319 R C 2.457 178.861 176.300 0.173 0.000 1.137 319 R CA 1.635 57.881 56.100 0.244 0.000 0.951 319 R CB -0.065 30.362 30.300 0.211 0.000 0.851 319 R HN 0.201 nan 8.270 nan 0.000 0.434 320 R N 0.276 120.797 120.500 0.035 0.000 2.066 320 R HA -0.142 4.237 4.340 0.064 0.000 0.232 320 R C 2.183 178.479 176.300 -0.007 0.000 1.131 320 R CA 1.732 57.835 56.100 0.005 0.000 0.955 320 R CB -0.279 29.985 30.300 -0.059 0.000 0.851 320 R HN 0.284 nan 8.270 nan 0.000 0.432 321 E N 0.643 120.723 120.200 -0.200 0.000 2.153 321 E HA -0.194 4.194 4.350 0.064 0.000 0.194 321 E C 1.982 178.551 176.600 -0.051 0.000 0.988 321 E CA 0.999 57.261 56.400 -0.231 0.000 0.811 321 E CB -0.011 29.375 29.700 -0.523 0.000 0.746 321 E HN 0.286 nan 8.360 nan 0.000 0.466 322 L N 0.635 121.877 121.223 0.031 0.000 2.027 322 L HA -0.119 4.260 4.340 0.064 0.000 0.206 322 L C 2.185 179.160 176.870 0.176 0.000 1.074 322 L CA 1.692 56.599 54.840 0.110 0.000 0.745 322 L CB -0.865 41.323 42.059 0.214 0.000 0.898 322 L HN 0.285 nan 8.230 nan 0.000 0.433 323 W N 0.979 122.313 121.300 0.056 0.000 2.358 323 W HA -0.189 4.508 4.660 0.063 0.000 0.303 323 W C 2.124 178.673 176.519 0.050 0.000 1.208 323 W CA 2.067 59.458 57.345 0.077 0.000 1.274 323 W CB -0.086 29.423 29.460 0.082 0.000 1.138 323 W HN 0.348 nan 8.180 nan 0.000 0.515 324 E N 0.017 120.392 120.200 0.292 0.000 2.152 324 E HA -0.115 4.274 4.350 0.064 0.000 0.192 324 E C 2.345 178.977 176.600 0.052 0.000 0.983 324 E CA 1.034 57.525 56.400 0.151 0.000 0.818 324 E CB -0.317 29.426 29.700 0.071 0.000 0.758 324 E HN 0.179 nan 8.360 nan 0.000 0.467 325 A N 1.084 123.934 122.820 0.050 0.000 1.930 325 A HA -0.136 4.223 4.320 0.064 0.000 0.217 325 A C 2.128 179.739 177.584 0.045 0.000 1.175 325 A CA 0.912 52.970 52.037 0.035 0.000 0.627 325 A CB -0.398 18.623 19.000 0.035 0.000 0.815 325 A HN 0.124 nan 8.150 nan 0.000 0.443 326 I N -0.526 120.086 120.570 0.071 0.000 2.286 326 I HA -0.201 4.007 4.170 0.064 0.000 0.245 326 I C 2.383 178.567 176.117 0.112 0.000 1.104 326 I CA 1.191 62.579 61.300 0.147 0.000 1.397 326 I CB -0.343 37.680 38.000 0.038 0.000 1.072 326 I HN 0.396 nan 8.210 nan 0.000 0.417 327 E N 0.843 121.062 120.200 0.031 0.000 2.209 327 E HA -0.210 4.178 4.350 0.064 0.000 0.196 327 E C 2.109 178.726 176.600 0.028 0.000 0.993 327 E CA 1.236 57.667 56.400 0.052 0.000 0.819 327 E CB -0.096 29.667 29.700 0.105 0.000 0.745 327 E HN 0.510 nan 8.360 nan 0.000 0.477 328 A N 0.006 122.817 122.820 -0.015 0.000 2.169 328 A HA 0.216 4.575 4.320 0.064 0.000 0.212 328 A C 1.807 179.323 177.584 -0.114 0.000 1.153 328 A CA 0.938 52.944 52.037 -0.053 0.000 0.756 328 A CB -0.062 18.888 19.000 -0.083 0.000 0.813 328 A HN 0.333 nan 8.150 nan 0.000 0.471 329 G N -0.446 108.201 108.800 -0.255 0.000 2.157 329 G HA2 -0.200 3.798 3.960 0.064 0.000 0.248 329 G HA3 -0.200 3.798 3.960 0.064 0.000 0.248 329 G C -0.236 174.173 174.900 -0.818 0.000 0.979 329 G CA 0.256 44.892 45.100 -0.773 0.000 0.650 329 G HN 0.439 nan 8.290 nan 0.000 0.529 330 D N 0.977 121.166 120.400 -0.351 0.000 2.845 330 D HA 0.298 4.977 4.640 0.064 0.000 0.235 330 D C 0.792 177.036 176.300 -0.094 0.000 1.158 330 D CA -0.207 53.684 54.000 -0.182 0.000 0.990 330 D CB -0.694 40.098 40.800 -0.014 0.000 1.094 330 D HN 0.429 nan 8.370 nan 0.000 0.486 331 F N 1.332 121.287 119.950 0.008 0.000 2.608 331 F HA 0.080 4.646 4.527 0.064 0.000 0.380 331 F C -1.371 174.402 175.800 -0.044 0.000 1.083 331 F CA -1.843 56.154 58.000 -0.007 0.000 1.266 331 F CB 0.004 39.010 39.000 0.010 0.000 1.076 331 F HN -0.088 nan 8.300 nan 0.000 0.574 332 P HA 0.033 nan 4.420 nan 0.000 0.262 332 P C -1.085 176.157 177.300 -0.097 0.000 1.199 332 P CA 0.350 63.432 63.100 -0.029 0.000 0.763 332 P CB 0.447 32.219 31.700 0.119 0.000 0.790 333 E N 2.530 122.538 120.200 -0.321 0.000 2.238 333 E HA 0.470 4.859 4.350 0.064 0.000 0.267 333 E C -0.995 175.300 176.600 -0.508 0.000 0.887 333 E CA -0.576 55.690 56.400 -0.223 0.000 0.769 333 E CB 1.424 31.092 29.700 -0.053 0.000 1.187 333 E HN 0.378 nan 8.360 nan 0.000 0.416 334 Y N 0.279 120.663 120.300 0.139 0.000 2.512 334 Y HA 0.256 4.845 4.550 0.065 0.000 0.348 334 Y C -0.257 175.891 175.900 0.414 0.000 0.990 334 Y CA -1.001 57.261 58.100 0.270 0.000 1.033 334 Y CB 2.000 40.597 38.460 0.228 0.000 1.259 334 Y HN 0.466 nan 8.280 nan 0.000 0.461 335 E N 2.687 123.235 120.200 0.580 0.000 2.134 335 E HA 0.405 4.794 4.350 0.064 0.000 0.278 335 E C -1.541 175.340 176.600 0.467 0.000 0.959 335 E CA -0.957 55.729 56.400 0.477 0.000 0.783 335 E CB 1.069 30.984 29.700 0.359 0.000 1.095 335 E HN 0.588 nan 8.360 nan 0.000 0.399 336 L N 4.262 125.673 121.223 0.313 0.000 2.380 336 L HA 0.551 4.929 4.340 0.064 0.000 0.273 336 L C -0.113 176.686 176.870 -0.119 0.000 1.138 336 L CA 0.583 55.301 54.840 -0.204 0.000 0.832 336 L CB 1.106 42.996 42.059 -0.282 0.000 1.124 336 L HN 0.594 nan 8.230 nan 0.000 0.454 337 G N 4.363 113.109 108.800 -0.090 0.000 2.667 337 G HA2 0.552 4.551 3.960 0.064 0.000 0.298 337 G HA3 0.552 4.551 3.960 0.064 0.000 0.298 337 G C -1.696 173.348 174.900 0.240 0.000 1.377 337 G CA -0.498 44.594 45.100 -0.013 0.000 0.964 337 G HN 0.462 nan 8.290 nan 0.000 0.493 338 F N 0.247 120.215 119.950 0.030 0.000 2.520 338 F HA 0.383 4.949 4.527 0.065 0.000 0.322 338 F C 0.356 176.154 175.800 -0.004 0.000 1.103 338 F CA -0.996 57.027 58.000 0.038 0.000 0.926 338 F CB 2.662 41.667 39.000 0.009 0.000 1.154 338 F HN 0.155 nan 8.300 nan 0.000 0.453 339 Q N 4.228 124.145 119.800 0.195 0.000 2.294 339 Q HA 0.455 4.833 4.340 0.064 0.000 0.257 339 Q C -1.063 174.980 176.000 0.072 0.000 0.955 339 Q CA -0.337 55.528 55.803 0.104 0.000 0.936 339 Q CB 1.824 30.629 28.738 0.111 0.000 1.188 339 Q HN 0.508 nan 8.270 nan 0.000 0.420 340 L N 4.641 125.915 121.223 0.085 0.000 2.313 340 L HA 0.577 4.956 4.340 0.064 0.000 0.283 340 L C -0.581 176.345 176.870 0.093 0.000 1.013 340 L CA -0.540 54.340 54.840 0.066 0.000 0.816 340 L CB 1.233 43.340 42.059 0.080 0.000 1.236 340 L HN 0.507 nan 8.230 nan 0.000 0.419 341 I N 4.476 125.116 120.570 0.117 0.000 2.418 341 I HA 0.380 4.588 4.170 0.064 0.000 0.287 341 I C -2.271 173.958 176.117 0.187 0.000 1.008 341 I CA -2.103 59.310 61.300 0.188 0.000 1.104 341 I CB 2.325 40.465 38.000 0.233 0.000 1.264 341 I HN 0.288 nan 8.210 nan 0.000 0.438 342 P HA 0.029 nan 4.420 nan 0.000 0.270 342 P C 0.576 177.944 177.300 0.115 0.000 1.223 342 P CA -0.120 63.019 63.100 0.065 0.000 0.785 342 P CB 0.828 32.558 31.700 0.051 0.000 0.923 343 E N 1.889 122.070 120.200 -0.031 0.000 2.118 343 E HA -0.244 4.144 4.350 0.064 0.000 0.195 343 E C 1.386 178.082 176.600 0.160 0.000 0.992 343 E CA 1.064 57.451 56.400 -0.023 0.000 0.804 343 E CB -0.025 29.574 29.700 -0.168 0.000 0.741 343 E HN 0.485 nan 8.360 nan 0.000 0.458 344 E N 0.200 120.464 120.200 0.107 0.000 2.478 344 E HA -0.174 4.215 4.350 0.064 0.000 0.198 344 E C 0.334 177.009 176.600 0.124 0.000 1.046 344 E CA 0.845 57.315 56.400 0.118 0.000 0.870 344 E CB 0.046 29.789 29.700 0.072 0.000 0.818 344 E HN 0.241 nan 8.360 nan 0.000 0.527 345 D N 1.190 121.668 120.400 0.130 0.000 2.368 345 D HA 0.003 4.682 4.640 0.064 0.000 0.218 345 D C 1.312 177.665 176.300 0.087 0.000 1.112 345 D CA 0.006 54.056 54.000 0.083 0.000 0.834 345 D CB 0.206 41.058 40.800 0.085 0.000 0.953 345 D HN 0.406 nan 8.370 nan 0.000 0.505 346 E N -0.220 120.022 120.200 0.070 0.000 2.130 346 E HA -0.195 4.193 4.350 0.064 0.000 0.196 346 E C 0.506 176.833 176.600 -0.455 0.000 0.998 346 E CA 1.090 57.337 56.400 -0.254 0.000 0.806 346 E CB 0.031 29.500 29.700 -0.384 0.000 0.738 346 E HN 0.262 nan 8.360 nan 0.000 0.459 347 F N -0.361 119.593 119.950 0.006 0.000 2.639 347 F HA 0.268 4.833 4.527 0.064 0.000 0.302 347 F C 1.356 177.087 175.800 -0.115 0.000 1.097 347 F CA -0.254 57.724 58.000 -0.036 0.000 1.294 347 F CB 0.619 39.606 39.000 -0.021 0.000 1.027 347 F HN -0.176 nan 8.300 nan 0.000 0.550 348 K N 0.086 120.421 120.400 -0.108 0.000 2.487 348 K HA 0.109 4.467 4.320 0.064 0.000 0.192 348 K C -0.251 175.951 176.600 -0.663 0.000 1.027 348 K CA 0.379 56.438 56.287 -0.379 0.000 1.054 348 K CB 0.121 32.334 32.500 -0.477 0.000 0.824 348 K HN 0.144 nan 8.250 nan 0.000 0.510 349 F N 0.825 120.609 119.950 -0.276 0.000 2.497 349 F HA 0.080 4.646 4.527 0.064 0.000 0.331 349 F C 1.202 176.770 175.800 -0.387 0.000 1.060 349 F CA -1.244 56.475 58.000 -0.467 0.000 0.989 349 F CB 0.754 39.108 39.000 -1.076 0.000 1.245 349 F HN -0.027 nan 8.300 nan 0.000 0.486 350 D N -0.390 119.977 120.400 -0.056 0.000 2.328 350 D HA 0.030 4.708 4.640 0.064 0.000 0.226 350 D C -0.356 176.016 176.300 0.120 0.000 1.066 350 D CA 0.165 54.197 54.000 0.054 0.000 0.861 350 D CB -0.833 40.036 40.800 0.116 0.000 0.912 350 D HN 0.228 nan 8.370 nan 0.000 0.521 351 F N -1.477 118.552 119.950 0.132 0.000 2.598 351 F HA 0.539 5.104 4.527 0.063 0.000 0.327 351 F C -0.106 175.677 175.800 -0.028 0.000 1.057 351 F CA -1.798 56.201 58.000 -0.002 0.000 0.957 351 F CB 0.825 39.776 39.000 -0.082 0.000 1.278 351 F HN -0.342 nan 8.300 nan 0.000 0.484 352 D N 1.653 122.074 120.400 0.036 0.000 2.308 352 D HA 0.164 4.842 4.640 0.064 0.000 0.251 352 D C 1.030 177.274 176.300 -0.093 0.000 1.127 352 D CA -0.001 53.958 54.000 -0.068 0.000 0.876 352 D CB 1.462 42.230 40.800 -0.054 0.000 1.176 352 D HN 0.741 nan 8.370 nan 0.000 0.446 353 L N 3.422 124.526 121.223 -0.199 0.000 2.191 353 L HA -0.139 4.239 4.340 0.064 0.000 0.212 353 L C 1.938 178.673 176.870 -0.225 0.000 1.103 353 L CA 0.756 55.460 54.840 -0.228 0.000 0.769 353 L CB -0.031 41.752 42.059 -0.460 0.000 0.908 353 L HN 0.471 nan 8.230 nan 0.000 0.438 354 L N -1.111 119.995 121.223 -0.194 0.000 2.591 354 L HA 0.051 4.430 4.340 0.064 0.000 0.228 354 L C 0.444 177.237 176.870 -0.129 0.000 1.133 354 L CA -0.162 54.632 54.840 -0.077 0.000 0.880 354 L CB -0.252 41.874 42.059 0.112 0.000 1.033 354 L HN 0.080 nan 8.230 nan 0.000 0.450 355 D N 2.159 122.222 120.400 -0.562 0.000 2.365 355 D HA 0.096 4.774 4.640 0.064 0.000 0.237 355 D C -1.542 174.530 176.300 -0.380 0.000 1.190 355 D CA -2.230 51.197 54.000 -0.955 0.000 0.867 355 D CB 1.442 41.431 40.800 -1.352 0.000 1.050 355 D HN -0.039 nan 8.370 nan 0.000 0.491 356 P HA -0.037 nan 4.420 nan 0.000 0.245 356 P C 0.820 178.034 177.300 -0.144 0.000 1.212 356 P CA 0.527 63.570 63.100 -0.095 0.000 0.774 356 P CB -0.092 31.655 31.700 0.079 0.000 0.999 357 T N -4.435 110.022 114.554 -0.162 0.000 3.107 357 T HA 0.150 4.538 4.350 0.064 0.000 0.249 357 T C 0.733 175.344 174.700 -0.149 0.000 1.096 357 T CA -0.061 61.950 62.100 -0.148 0.000 1.012 357 T CB -0.207 68.621 68.868 -0.068 0.000 0.977 357 T HN -0.157 nan 8.240 nan 0.000 0.527 358 K N 2.064 122.284 120.400 -0.300 0.000 2.221 358 K HA 0.592 4.950 4.320 0.064 0.000 0.258 358 K C -0.332 176.079 176.600 -0.315 0.000 0.944 358 K CA -0.919 55.072 56.287 -0.493 0.000 0.823 358 K CB 2.039 34.116 32.500 -0.705 0.000 1.113 358 K HN 0.312 nan 8.250 nan 0.000 0.431 359 L N -0.309 120.858 121.223 -0.093 0.000 2.358 359 L HA 0.675 5.053 4.340 0.064 0.000 0.268 359 L C -0.076 176.610 176.870 -0.306 0.000 1.032 359 L CA -0.579 54.165 54.840 -0.160 0.000 0.805 359 L CB 0.405 42.454 42.059 -0.016 0.000 1.253 359 L HN 0.436 nan 8.230 nan 0.000 0.452 360 I N 1.427 121.906 120.570 -0.152 0.000 2.312 360 I HA 0.392 4.600 4.170 0.064 0.000 0.290 360 I C -2.140 173.984 176.117 0.012 0.000 1.008 360 I CA -1.670 59.584 61.300 -0.077 0.000 1.226 360 I CB 1.337 39.315 38.000 -0.038 0.000 1.371 360 I HN 0.443 nan 8.210 nan 0.000 0.468 361 P HA 0.084 nan 4.420 nan 0.000 0.271 361 P C 0.211 177.572 177.300 0.101 0.000 1.220 361 P CA -0.072 63.068 63.100 0.067 0.000 0.768 361 P CB 0.607 32.341 31.700 0.056 0.000 0.848 362 E N 1.944 122.213 120.200 0.114 0.000 2.209 362 E HA -0.217 4.171 4.350 0.064 0.000 0.196 362 E C 1.373 178.024 176.600 0.085 0.000 0.993 362 E CA 0.867 57.322 56.400 0.093 0.000 0.819 362 E CB -0.106 29.646 29.700 0.087 0.000 0.745 362 E HN 0.519 nan 8.360 nan 0.000 0.477 363 E N 0.515 120.766 120.200 0.084 0.000 2.209 363 E HA -0.175 4.213 4.350 0.064 0.000 0.196 363 E C 2.068 178.730 176.600 0.103 0.000 0.993 363 E CA 0.872 57.319 56.400 0.079 0.000 0.819 363 E CB -0.003 29.737 29.700 0.067 0.000 0.745 363 E HN 0.400 nan 8.360 nan 0.000 0.477 364 L N -0.427 120.880 121.223 0.139 0.000 2.168 364 L HA 0.049 4.427 4.340 0.064 0.000 0.203 364 L C 0.659 177.652 176.870 0.205 0.000 1.078 364 L CA 0.413 55.376 54.840 0.205 0.000 0.780 364 L CB 0.435 42.687 42.059 0.321 0.000 0.939 364 L HN -0.198 nan 8.230 nan 0.000 0.451 365 V N 1.530 121.537 119.914 0.156 0.000 2.445 365 V HA 0.297 4.455 4.120 0.064 0.000 0.283 365 V C -2.379 173.763 176.094 0.080 0.000 1.014 365 V CA -1.397 60.980 62.300 0.129 0.000 0.852 365 V CB 1.533 33.425 31.823 0.116 0.000 1.021 365 V HN -0.028 nan 8.190 nan 0.000 0.435 366 P HA 0.157 nan 4.420 nan 0.000 0.271 366 P C -0.214 177.088 177.300 0.004 0.000 1.218 366 P CA 0.056 63.178 63.100 0.035 0.000 0.780 366 P CB 1.296 33.020 31.700 0.041 0.000 0.901 367 V N 3.516 123.397 119.914 -0.055 0.000 2.470 367 V HA 0.046 4.205 4.120 0.064 0.000 0.276 367 V C 0.973 177.056 176.094 -0.017 0.000 1.040 367 V CA 0.185 62.421 62.300 -0.106 0.000 1.008 367 V CB -0.021 31.650 31.823 -0.253 0.000 0.990 367 V HN 0.572 nan 8.190 nan 0.000 0.477 368 Q N 6.100 125.914 119.800 0.022 0.000 2.274 368 Q HA 0.338 4.717 4.340 0.064 0.000 0.256 368 Q C 0.380 176.378 176.000 -0.004 0.000 0.927 368 Q CA -0.817 55.001 55.803 0.025 0.000 0.939 368 Q CB 0.809 29.574 28.738 0.045 0.000 1.201 368 Q HN 0.833 nan 8.270 nan 0.000 0.426 369 R N 1.893 122.415 120.500 0.036 0.000 2.590 369 R HA 0.123 4.501 4.340 0.064 0.000 0.274 369 R C -0.497 175.838 176.300 0.058 0.000 1.061 369 R CA -0.345 55.818 56.100 0.104 0.000 1.081 369 R CB 0.683 31.110 30.300 0.211 0.000 0.984 369 R HN 0.483 nan 8.270 nan 0.000 0.448 370 V N 1.323 121.195 119.914 -0.071 0.000 3.159 370 V HA 0.346 4.504 4.120 0.064 0.000 0.234 370 V C 0.747 176.577 176.094 -0.441 0.000 1.313 370 V CA 0.952 63.073 62.300 -0.299 0.000 1.271 370 V CB 0.875 32.268 31.823 -0.718 0.000 1.053 370 V HN 1.070 nan 8.190 nan 0.000 0.476 371 G N -0.291 108.148 108.800 -0.603 0.000 2.430 371 G HA2 0.495 4.493 3.960 0.064 0.000 0.300 371 G HA3 0.495 4.493 3.960 0.064 0.000 0.300 371 G C -1.893 172.654 174.900 -0.589 0.000 1.330 371 G CA -0.506 43.916 45.100 -1.130 0.000 0.813 371 G HN 0.053 nan 8.290 nan 0.000 0.487 372 K N -0.420 119.691 120.400 -0.482 0.000 2.316 372 K HA 0.739 5.097 4.320 0.064 0.000 0.251 372 K C -0.888 175.785 176.600 0.122 0.000 0.934 372 K CA -0.788 55.513 56.287 0.024 0.000 0.802 372 K CB 2.063 34.622 32.500 0.097 0.000 1.171 372 K HN 0.586 nan 8.250 nan 0.000 0.426 373 M N 4.358 124.154 119.600 0.327 0.000 2.393 373 M HA 0.420 4.938 4.480 0.064 0.000 0.316 373 M C -1.785 174.521 176.300 0.010 0.000 1.087 373 M CA -0.772 54.661 55.300 0.222 0.000 0.937 373 M CB 1.789 34.568 32.600 0.298 0.000 1.668 373 M HN 0.346 nan 8.290 nan 0.000 0.438 374 V N 6.217 125.963 119.914 -0.280 0.000 2.531 374 V HA 0.446 4.604 4.120 0.064 0.000 0.301 374 V C -0.667 175.287 176.094 -0.234 0.000 1.034 374 V CA -0.691 61.441 62.300 -0.280 0.000 0.865 374 V CB 1.794 33.314 31.823 -0.505 0.000 0.995 374 V HN 0.809 nan 8.190 nan 0.000 0.424 375 L N 5.559 126.740 121.223 -0.070 0.000 2.257 375 L HA 0.535 4.914 4.340 0.064 0.000 0.290 375 L C 0.495 177.281 176.870 -0.141 0.000 1.044 375 L CA -0.275 54.523 54.840 -0.070 0.000 0.810 375 L CB 1.063 43.126 42.059 0.005 0.000 1.193 375 L HN 0.864 nan 8.230 nan 0.000 0.425 376 N N 2.379 120.913 118.700 -0.277 0.000 2.184 376 N HA 0.141 4.919 4.740 0.064 0.000 0.234 376 N C -0.081 175.251 175.510 -0.297 0.000 1.282 376 N CA -0.405 52.236 53.050 -0.681 0.000 0.877 376 N CB 0.807 38.582 38.487 -1.187 0.000 1.184 376 N HN 0.477 nan 8.380 nan 0.000 0.510 377 R N 0.209 120.639 120.500 -0.117 0.000 2.566 377 R HA 0.333 4.711 4.340 0.064 0.000 0.271 377 R C -1.262 174.989 176.300 -0.081 0.000 1.071 377 R CA -0.565 55.486 56.100 -0.082 0.000 0.915 377 R CB 1.405 31.666 30.300 -0.066 0.000 1.228 377 R HN 0.050 nan 8.270 nan 0.000 0.449 378 N N 3.066 121.599 118.700 -0.278 0.000 2.483 378 N HA 0.306 5.085 4.740 0.064 0.000 0.269 378 N C -2.247 173.180 175.510 -0.138 0.000 1.209 378 N CA -1.232 51.499 53.050 -0.532 0.000 0.969 378 N CB 0.655 38.148 38.487 -1.656 0.000 1.173 378 N HN 0.319 nan 8.380 nan 0.000 0.475 379 P HA 0.108 nan 4.420 nan 0.000 0.274 379 P C 0.072 177.544 177.300 0.287 0.000 1.260 379 P CA -0.083 63.195 63.100 0.297 0.000 0.793 379 P CB 1.079 32.999 31.700 0.366 0.000 1.048 380 D N -1.298 119.255 120.400 0.254 0.000 2.259 380 D HA -0.011 4.667 4.640 0.064 0.000 0.216 380 D C 0.474 176.954 176.300 0.300 0.000 0.961 380 D CA 1.303 55.453 54.000 0.250 0.000 0.878 380 D CB 0.200 41.087 40.800 0.144 0.000 1.009 380 D HN 0.383 nan 8.370 nan 0.000 0.490 381 N N -0.217 118.650 118.700 0.278 0.000 2.461 381 N HA 0.012 4.790 4.740 0.064 0.000 0.284 381 N C -0.050 175.669 175.510 0.348 0.000 1.049 381 N CA -0.338 52.889 53.050 0.295 0.000 0.889 381 N CB 1.619 40.244 38.487 0.230 0.000 1.365 381 N HN -0.158 nan 8.380 nan 0.000 0.499 382 F N 4.352 124.456 119.950 0.255 0.000 2.102 382 F HA -0.135 4.431 4.527 0.064 0.000 0.298 382 F C 1.684 177.614 175.800 0.216 0.000 1.105 382 F CA 1.379 59.531 58.000 0.253 0.000 1.239 382 F CB -0.097 39.029 39.000 0.209 0.000 0.991 382 F HN 0.604 nan 8.300 nan 0.000 0.474 383 F N 0.888 121.086 119.950 0.413 0.000 2.069 383 F HA -0.187 4.378 4.527 0.064 0.000 0.298 383 F C 2.317 178.177 175.800 0.101 0.000 1.113 383 F CA 1.958 60.116 58.000 0.263 0.000 1.214 383 F CB -0.923 38.202 39.000 0.210 0.000 0.978 383 F HN -0.005 nan 8.300 nan 0.000 0.474 384 A N -0.401 122.543 122.820 0.207 0.000 1.898 384 A HA -0.135 4.223 4.320 0.064 0.000 0.216 384 A C 2.059 179.572 177.584 -0.119 0.000 1.181 384 A CA 1.901 53.976 52.037 0.062 0.000 0.620 384 A CB -0.652 18.437 19.000 0.148 0.000 0.819 384 A HN 0.591 nan 8.150 nan 0.000 0.442 385 E N -1.130 119.014 120.200 -0.092 0.000 2.132 385 E HA -0.065 4.323 4.350 0.064 0.000 0.193 385 E C 1.977 178.468 176.600 -0.181 0.000 0.951 385 E CA 0.478 56.754 56.400 -0.205 0.000 0.843 385 E CB -0.153 29.462 29.700 -0.141 0.000 0.807 385 E HN 0.550 nan 8.360 nan 0.000 0.467 386 N N 1.453 120.049 118.700 -0.175 0.000 2.124 386 N HA -0.177 4.601 4.740 0.064 0.000 0.188 386 N C 1.857 177.189 175.510 -0.298 0.000 1.045 386 N CA 1.476 54.364 53.050 -0.270 0.000 0.846 386 N CB -0.014 37.895 38.487 -0.963 0.000 1.020 386 N HN -0.056 nan 8.380 nan 0.000 0.432 387 E N 0.695 120.649 120.200 -0.409 0.000 2.118 387 E HA -0.110 4.278 4.350 0.064 0.000 0.195 387 E C 1.558 177.958 176.600 -0.334 0.000 0.992 387 E CA 1.467 57.701 56.400 -0.277 0.000 0.804 387 E CB -0.137 29.410 29.700 -0.255 0.000 0.741 387 E HN 0.504 nan 8.360 nan 0.000 0.458 388 Q N -0.415 119.120 119.800 -0.441 0.000 2.360 388 Q HA 0.278 4.656 4.340 0.064 0.000 0.202 388 Q C -0.160 175.713 176.000 -0.212 0.000 0.915 388 Q CA 0.151 55.747 55.803 -0.344 0.000 0.943 388 Q CB 0.650 29.162 28.738 -0.376 0.000 1.064 388 Q HN 0.215 nan 8.270 nan 0.000 0.511 389 A N 1.149 123.868 122.820 -0.167 0.000 2.477 389 A HA 0.472 4.830 4.320 0.064 0.000 0.246 389 A C -0.137 177.340 177.584 -0.179 0.000 1.078 389 A CA 0.086 52.013 52.037 -0.184 0.000 0.770 389 A CB 0.267 19.235 19.000 -0.054 0.000 1.011 389 A HN 0.273 nan 8.150 nan 0.000 0.494 390 A N 2.598 125.257 122.820 -0.268 0.000 2.291 390 A HA 0.711 5.070 4.320 0.064 0.000 0.311 390 A C -0.739 176.717 177.584 -0.213 0.000 1.224 390 A CA -0.400 51.538 52.037 -0.166 0.000 0.821 390 A CB 0.193 19.078 19.000 -0.191 0.000 1.172 390 A HN 0.648 nan 8.150 nan 0.000 0.494 391 F N 0.830 120.785 119.950 0.009 0.000 2.492 391 F HA 0.664 5.229 4.527 0.064 0.000 0.327 391 F C 0.302 176.075 175.800 -0.045 0.000 1.079 391 F CA -0.144 57.839 58.000 -0.029 0.000 0.967 391 F CB 2.087 41.011 39.000 -0.126 0.000 1.169 391 F HN 0.755 nan 8.300 nan 0.000 0.472 392 H N 2.799 121.726 119.070 -0.239 0.000 3.099 392 H HA 0.274 4.874 4.556 0.073 0.000 0.342 392 H C -2.520 172.418 175.328 -0.649 0.000 1.054 392 H CA -1.632 54.042 56.048 -0.624 0.000 1.328 392 H CB 2.703 32.029 29.762 -0.726 0.000 1.876 392 H HN 0.179 nan 8.280 nan 0.000 0.495 393 P HA 0.038 nan 4.420 nan 0.000 0.233 393 P C 1.170 178.378 177.300 -0.155 0.000 1.167 393 P CA 1.143 63.934 63.100 -0.514 0.000 0.770 393 P CB 0.179 31.626 31.700 -0.421 0.000 0.837 394 G N -0.840 107.697 108.800 -0.438 0.000 2.598 394 G HA2 -0.161 3.838 3.960 0.064 0.000 0.215 394 G HA3 -0.161 3.838 3.960 0.064 0.000 0.215 394 G C 0.457 175.611 174.900 0.423 0.000 1.131 394 G CA 0.041 45.258 45.100 0.195 0.000 0.785 394 G HN 0.433 nan 8.290 nan 0.000 0.539 395 H N 0.728 119.944 119.070 0.244 0.000 3.092 395 H HA 0.342 4.933 4.556 0.059 0.000 0.263 395 H C 0.626 176.067 175.328 0.188 0.000 1.611 395 H CA -0.805 55.338 56.048 0.157 0.000 1.457 395 H CB -0.044 29.770 29.762 0.086 0.000 1.731 395 H HN 0.380 nan 8.280 nan 0.000 0.532 396 I N -0.362 120.347 120.570 0.232 0.000 3.449 396 I HA 0.690 4.899 4.170 0.064 0.000 0.294 396 I C -0.118 175.990 176.117 -0.015 0.000 1.163 396 I CA -1.358 60.002 61.300 0.100 0.000 1.010 396 I CB 1.747 39.685 38.000 -0.103 0.000 1.307 396 I HN 0.119 nan 8.210 nan 0.000 0.518 397 V N -2.924 116.960 119.914 -0.050 0.000 3.160 397 V HA 0.664 4.823 4.120 0.064 0.000 0.310 397 V C -2.867 173.335 176.094 0.181 0.000 1.181 397 V CA -2.492 59.844 62.300 0.060 0.000 1.047 397 V CB 0.969 32.808 31.823 0.026 0.000 1.068 397 V HN 0.605 nan 8.190 nan 0.000 0.441 398 P HA 0.390 nan 4.420 nan 0.000 0.265 398 P C 0.887 178.189 177.300 0.004 0.000 1.193 398 P CA 2.029 65.201 63.100 0.121 0.000 0.765 398 P CB 0.774 32.519 31.700 0.075 0.000 0.823 399 G N 1.706 110.463 108.800 -0.071 0.000 2.218 399 G HA2 -0.162 3.837 3.960 0.064 0.000 0.216 399 G HA3 -0.162 3.837 3.960 0.064 0.000 0.216 399 G C -0.236 174.583 174.900 -0.135 0.000 0.994 399 G CA -0.408 44.630 45.100 -0.103 0.000 0.637 399 G HN 0.439 nan 8.290 nan 0.000 0.505 400 L N 0.067 121.223 121.223 -0.112 0.000 2.323 400 L HA 0.913 5.292 4.340 0.064 0.000 0.265 400 L C -0.475 176.341 176.870 -0.090 0.000 1.012 400 L CA -1.070 53.682 54.840 -0.147 0.000 0.820 400 L CB 2.034 43.934 42.059 -0.266 0.000 1.334 400 L HN 0.094 nan 8.230 nan 0.000 0.427 401 D N -0.622 119.707 120.400 -0.118 0.000 2.643 401 D HA 0.465 5.144 4.640 0.064 0.000 0.283 401 D C -1.120 175.088 176.300 -0.153 0.000 1.242 401 D CA -0.380 53.509 54.000 -0.186 0.000 0.863 401 D CB 1.904 42.675 40.800 -0.049 0.000 1.382 401 D HN 0.116 nan 8.370 nan 0.000 0.444 402 F N -0.149 119.934 119.950 0.220 0.000 2.352 402 F HA 0.475 5.041 4.527 0.065 0.000 0.304 402 F C 1.513 177.334 175.800 0.035 0.000 1.215 402 F CA -0.163 57.890 58.000 0.088 0.000 1.121 402 F CB 0.991 40.018 39.000 0.045 0.000 1.329 402 F HN 0.201 nan 8.300 nan 0.000 0.528 403 T N -3.233 111.421 114.554 0.166 0.000 2.804 403 T HA 0.307 4.695 4.350 0.064 0.000 0.290 403 T C -0.095 174.641 174.700 0.060 0.000 1.099 403 T CA -1.018 61.158 62.100 0.128 0.000 1.011 403 T CB 1.229 70.147 68.868 0.084 0.000 1.291 403 T HN 0.355 nan 8.240 nan 0.000 0.523 404 N N 1.160 119.899 118.700 0.064 0.000 2.370 404 N HA 0.062 4.840 4.740 0.064 0.000 0.198 404 N C 0.026 175.540 175.510 0.007 0.000 1.156 404 N CA 0.050 53.118 53.050 0.031 0.000 0.839 404 N CB -0.407 38.114 38.487 0.058 0.000 0.989 404 N HN 0.693 nan 8.380 nan 0.000 0.468 405 D N 2.280 122.667 120.400 -0.022 0.000 2.793 405 D HA -0.097 4.582 4.640 0.064 0.000 0.230 405 D C -1.438 174.840 176.300 -0.037 0.000 1.139 405 D CA -0.700 53.297 54.000 -0.005 0.000 0.838 405 D CB 1.186 41.921 40.800 -0.109 0.000 1.149 405 D HN 0.173 nan 8.370 nan 0.000 0.526 406 P HA -0.057 nan 4.420 nan 0.000 0.245 406 P C 1.533 178.835 177.300 0.004 0.000 1.206 406 P CA -0.074 63.029 63.100 0.006 0.000 0.781 406 P CB 0.512 32.211 31.700 -0.002 0.000 0.994 407 L N 0.098 121.338 121.223 0.027 0.000 2.034 407 L HA -0.036 4.342 4.340 0.064 0.000 0.203 407 L C 2.405 179.150 176.870 -0.208 0.000 1.074 407 L CA 1.340 56.181 54.840 0.001 0.000 0.748 407 L CB -1.637 40.517 42.059 0.159 0.000 0.905 407 L HN -0.161 nan 8.230 nan 0.000 0.439 408 L N -0.461 120.426 121.223 -0.560 0.000 2.021 408 L HA -0.278 4.100 4.340 0.064 0.000 0.215 408 L C 2.475 179.076 176.870 -0.449 0.000 1.074 408 L CA 1.882 56.217 54.840 -0.842 0.000 0.760 408 L CB -0.932 40.459 42.059 -1.113 0.000 0.889 408 L HN 0.409 nan 8.230 nan 0.000 0.433 409 Q N -0.369 119.246 119.800 -0.309 0.000 2.096 409 Q HA -0.144 4.235 4.340 0.064 0.000 0.204 409 Q C 2.109 178.021 176.000 -0.146 0.000 0.982 409 Q CA 1.763 57.431 55.803 -0.224 0.000 0.850 409 Q CB -0.737 27.922 28.738 -0.132 0.000 0.901 409 Q HN 0.711 nan 8.270 nan 0.000 0.422 410 G N 0.382 109.127 108.800 -0.093 0.000 2.464 410 G HA2 -0.194 3.804 3.960 0.064 0.000 0.217 410 G HA3 -0.194 3.804 3.960 0.064 0.000 0.217 410 G C 1.519 176.425 174.900 0.011 0.000 1.138 410 G CA 0.079 45.173 45.100 -0.010 0.000 0.793 410 G HN 0.233 nan 8.290 nan 0.000 0.539 411 R N -0.073 120.379 120.500 -0.080 0.000 2.091 411 R HA -0.011 4.367 4.340 0.064 0.000 0.238 411 R C 2.502 178.861 176.300 0.099 0.000 1.136 411 R CA 1.054 57.159 56.100 0.009 0.000 0.959 411 R CB -0.513 29.741 30.300 -0.076 0.000 0.856 411 R HN 0.348 nan 8.270 nan 0.000 0.437 412 L N -0.352 120.830 121.223 -0.068 0.000 2.189 412 L HA -0.212 4.166 4.340 0.064 0.000 0.214 412 L C 2.282 179.282 176.870 0.217 0.000 1.097 412 L CA 1.103 55.934 54.840 -0.015 0.000 0.764 412 L CB -0.488 41.416 42.059 -0.258 0.000 0.900 412 L HN 0.166 nan 8.230 nan 0.000 0.436 413 F N 0.052 120.037 119.950 0.057 0.000 2.163 413 F HA -0.165 4.382 4.527 0.034 0.000 0.297 413 F C 2.749 178.593 175.800 0.073 0.000 1.094 413 F CA 1.560 59.590 58.000 0.049 0.000 1.290 413 F CB -0.227 38.779 39.000 0.009 0.000 1.017 413 F HN -0.055 nan 8.300 nan 0.000 0.483 414 S N -0.823 114.840 115.700 -0.061 0.000 2.371 414 S HA -0.190 4.319 4.470 0.064 0.000 0.224 414 S C 2.031 176.503 174.600 -0.213 0.000 1.029 414 S CA 1.275 59.346 58.200 -0.214 0.000 0.978 414 S CB -0.766 62.347 63.200 -0.145 0.000 0.833 414 S HN 0.525 nan 8.310 nan 0.000 0.466 415 Y N 1.929 122.255 120.300 0.044 0.000 2.421 415 Y HA -0.064 4.521 4.550 0.059 0.000 0.292 415 Y C 2.962 178.610 175.900 -0.420 0.000 1.136 415 Y CA 1.328 59.518 58.100 0.150 0.000 1.255 415 Y CB -0.518 38.916 38.460 1.623 0.000 0.991 415 Y HN 0.505 nan 8.280 nan 0.000 0.552 416 T N -3.019 111.198 114.554 -0.561 0.000 2.894 416 T HA -0.126 4.262 4.350 0.064 0.000 0.258 416 T C 1.524 176.039 174.700 -0.309 0.000 1.043 416 T CA 1.089 62.938 62.100 -0.420 0.000 1.141 416 T CB -0.500 68.161 68.868 -0.345 0.000 0.873 416 T HN 0.242 nan 8.240 nan 0.000 0.449 417 D N 1.523 121.672 120.400 -0.418 0.000 2.106 417 D HA -0.165 4.513 4.640 0.064 0.000 0.191 417 D C 2.284 178.437 176.300 -0.245 0.000 0.997 417 D CA 2.066 55.834 54.000 -0.386 0.000 0.834 417 D CB -0.858 39.514 40.800 -0.713 0.000 0.956 417 D HN 0.371 nan 8.370 nan 0.000 0.448 418 T N -1.101 113.298 114.554 -0.259 0.000 2.833 418 T HA -0.145 4.243 4.350 0.064 0.000 0.269 418 T C 1.660 176.244 174.700 -0.193 0.000 1.054 418 T CA 1.253 63.241 62.100 -0.187 0.000 1.135 418 T CB -0.252 68.501 68.868 -0.192 0.000 0.869 418 T HN 0.145 nan 8.240 nan 0.000 0.466 419 Q N 0.730 120.349 119.800 -0.302 0.000 2.226 419 Q HA -0.022 4.357 4.340 0.064 0.000 0.204 419 Q C 2.255 178.154 176.000 -0.167 0.000 0.975 419 Q CA 0.750 56.319 55.803 -0.389 0.000 0.866 419 Q CB -0.500 27.625 28.738 -1.021 0.000 0.915 419 Q HN 0.512 nan 8.270 nan 0.000 0.440 420 I N 0.935 121.459 120.570 -0.075 0.000 2.264 420 I HA -0.223 3.986 4.170 0.064 0.000 0.248 420 I C 2.322 178.453 176.117 0.023 0.000 1.111 420 I CA 1.808 63.122 61.300 0.024 0.000 1.382 420 I CB -1.401 36.616 38.000 0.029 0.000 1.060 420 I HN 0.217 nan 8.210 nan 0.000 0.418 421 S N 0.270 115.965 115.700 -0.008 0.000 2.427 421 S HA -0.063 4.445 4.470 0.064 0.000 0.224 421 S C 2.179 176.780 174.600 0.001 0.000 1.047 421 S CA 0.162 58.367 58.200 0.009 0.000 0.953 421 S CB -0.334 62.871 63.200 0.008 0.000 0.824 421 S HN 0.299 nan 8.310 nan 0.000 0.502 422 R N 0.879 121.358 120.500 -0.036 0.000 2.081 422 R HA 0.154 4.533 4.340 0.064 0.000 0.235 422 R C 1.415 177.696 176.300 -0.031 0.000 1.131 422 R CA 1.508 57.586 56.100 -0.037 0.000 0.960 422 R CB -0.242 30.011 30.300 -0.079 0.000 0.856 422 R HN 0.462 nan 8.270 nan 0.000 0.436 423 L N -1.047 120.147 121.223 -0.049 0.000 2.857 423 L HA 0.339 4.717 4.340 0.064 0.000 0.249 423 L C 0.830 177.718 176.870 0.029 0.000 1.172 423 L CA 0.291 55.113 54.840 -0.030 0.000 0.980 423 L CB 1.199 43.226 42.059 -0.053 0.000 1.299 423 L HN 0.578 nan 8.230 nan 0.000 0.535 424 G N -0.004 108.838 108.800 0.070 0.000 2.176 424 G HA2 -0.121 3.877 3.960 0.064 0.000 0.253 424 G HA3 -0.121 3.877 3.960 0.064 0.000 0.253 424 G C 0.459 175.493 174.900 0.223 0.000 0.979 424 G CA 0.016 45.209 45.100 0.156 0.000 0.641 424 G HN 0.784 nan 8.290 nan 0.000 0.530 425 G N -1.527 107.391 108.800 0.197 0.000 2.352 425 G HA2 0.581 4.579 3.960 0.064 0.000 0.283 425 G HA3 0.581 4.579 3.960 0.064 0.000 0.283 425 G C -2.199 172.860 174.900 0.265 0.000 1.308 425 G CA 0.413 45.634 45.100 0.202 0.000 0.892 425 G HN 0.481 nan 8.290 nan 0.000 0.504 426 P HA 0.130 nan 4.420 nan 0.000 0.249 426 P C 0.378 177.698 177.300 0.033 0.000 1.229 426 P CA 0.348 63.549 63.100 0.167 0.000 0.788 426 P CB 0.188 31.945 31.700 0.095 0.000 1.072 427 N N 0.404 119.139 118.700 0.060 0.000 2.322 427 N HA 0.043 4.821 4.740 0.064 0.000 0.216 427 N C 1.111 176.501 175.510 -0.200 0.000 1.144 427 N CA -0.115 52.876 53.050 -0.098 0.000 0.830 427 N CB -0.683 37.779 38.487 -0.041 0.000 1.034 427 N HN 0.270 nan 8.380 nan 0.000 0.484 428 F N 1.041 120.979 119.950 -0.020 0.000 2.269 428 F HA -0.123 4.432 4.527 0.048 0.000 0.301 428 F C 2.228 177.963 175.800 -0.107 0.000 1.082 428 F CA 0.924 58.882 58.000 -0.070 0.000 1.360 428 F CB -0.862 38.116 39.000 -0.037 0.000 1.041 428 F HN 0.179 nan 8.300 nan 0.000 0.512 429 H N 0.468 119.215 119.070 -0.540 0.000 2.545 429 H HA 0.032 4.625 4.556 0.062 0.000 0.282 429 H C 0.863 176.046 175.328 -0.243 0.000 1.020 429 H CA 1.379 57.188 56.048 -0.400 0.000 1.243 429 H CB -0.826 28.552 29.762 -0.639 0.000 1.377 429 H HN 0.549 nan 8.280 nan 0.000 0.581 430 E N 0.901 120.698 120.200 -0.672 0.000 2.474 430 E HA 0.181 4.570 4.350 0.064 0.000 0.194 430 E C 0.360 176.843 176.600 -0.194 0.000 1.041 430 E CA -0.269 55.886 56.400 -0.409 0.000 0.874 430 E CB 0.535 30.000 29.700 -0.392 0.000 0.914 430 E HN 0.427 nan 8.360 nan 0.000 0.498 431 I N 2.594 123.074 120.570 -0.149 0.000 2.618 431 I HA -0.038 4.170 4.170 0.064 0.000 0.284 431 I C -1.577 174.480 176.117 -0.099 0.000 1.146 431 I CA -1.479 59.761 61.300 -0.099 0.000 1.425 431 I CB 0.659 38.613 38.000 -0.078 0.000 1.383 431 I HN -0.210 nan 8.210 nan 0.000 0.562 432 P HA -0.223 nan 4.420 nan 0.000 0.215 432 P C 1.760 178.989 177.300 -0.119 0.000 1.157 432 P CA 1.192 64.235 63.100 -0.095 0.000 0.874 432 P CB 0.177 31.827 31.700 -0.084 0.000 0.790 433 I N -0.495 119.975 120.570 -0.166 0.000 2.335 433 I HA -0.220 3.989 4.170 0.064 0.000 0.251 433 I C 1.320 177.366 176.117 -0.119 0.000 1.129 433 I CA 1.743 62.894 61.300 -0.249 0.000 1.402 433 I CB -0.640 37.081 38.000 -0.466 0.000 1.069 433 I HN -0.088 nan 8.210 nan 0.000 0.424 434 N N 0.575 119.221 118.700 -0.091 0.000 2.422 434 N HA 0.031 4.809 4.740 0.064 0.000 0.181 434 N C 0.308 175.826 175.510 0.013 0.000 1.080 434 N CA 0.219 53.244 53.050 -0.042 0.000 0.893 434 N CB -0.107 38.374 38.487 -0.010 0.000 0.973 434 N HN 0.380 nan 8.380 nan 0.000 0.456 435 R N 1.587 122.096 120.500 0.014 0.000 2.537 435 R HA 0.177 4.555 4.340 0.064 0.000 0.280 435 R C -2.247 174.120 176.300 0.113 0.000 1.058 435 R CA -1.250 54.863 56.100 0.021 0.000 1.057 435 R CB -0.017 30.280 30.300 -0.005 0.000 0.973 435 R HN 0.011 nan 8.270 nan 0.000 0.438 436 P HA -0.018 nan 4.420 nan 0.000 0.271 436 P C 0.624 178.003 177.300 0.131 0.000 1.218 436 P CA -0.015 63.172 63.100 0.144 0.000 0.780 436 P CB 0.776 32.518 31.700 0.071 0.000 0.901 437 T N -1.141 113.502 114.554 0.148 0.000 3.043 437 T HA 0.181 4.569 4.350 0.064 0.000 0.263 437 T C 0.914 175.665 174.700 0.085 0.000 1.094 437 T CA 0.141 62.283 62.100 0.071 0.000 1.127 437 T CB -0.347 68.545 68.868 0.039 0.000 0.905 437 T HN 0.446 nan 8.240 nan 0.000 0.490 438 A N 2.923 125.809 122.820 0.110 0.000 2.386 438 A HA 0.567 4.925 4.320 0.064 0.000 0.248 438 A C -2.188 175.461 177.584 0.109 0.000 1.082 438 A CA -1.440 50.659 52.037 0.103 0.000 0.789 438 A CB -0.345 18.718 19.000 0.106 0.000 1.025 438 A HN 0.286 nan 8.150 nan 0.000 0.490 439 P HA 0.274 nan 4.420 nan 0.000 0.268 439 P C -1.063 176.321 177.300 0.139 0.000 1.205 439 P CA 0.649 63.824 63.100 0.124 0.000 0.771 439 P CB 0.103 31.920 31.700 0.195 0.000 0.858 440 Y N 0.847 121.055 120.300 -0.155 0.000 2.406 440 Y HA 0.681 5.269 4.550 0.064 0.000 0.340 440 Y C -1.325 174.271 175.900 -0.506 0.000 0.975 440 Y CA -0.985 57.004 58.100 -0.184 0.000 1.056 440 Y CB 1.543 39.910 38.460 -0.154 0.000 1.210 440 Y HN 0.415 nan 8.280 nan 0.000 0.448 441 H N 3.688 122.642 119.070 -0.194 0.000 2.966 441 H HA 0.511 5.106 4.556 0.064 0.000 0.347 441 H C -1.192 174.012 175.328 -0.208 0.000 1.048 441 H CA -0.819 55.037 56.048 -0.321 0.000 1.295 441 H CB 1.578 31.189 29.762 -0.251 0.000 1.744 441 H HN 0.895 nan 8.280 nan 0.000 0.513 442 N N 0.389 118.977 118.700 -0.187 0.000 3.449 442 N HA 0.205 4.983 4.740 0.064 0.000 0.312 442 N C -1.098 174.170 175.510 -0.403 0.000 1.582 442 N CA -0.931 51.963 53.050 -0.259 0.000 0.850 442 N CB 0.682 39.175 38.487 0.010 0.000 1.822 442 N HN 0.285 nan 8.380 nan 0.000 0.577 443 F N -0.405 119.587 119.950 0.069 0.000 2.664 443 F HA 0.355 4.916 4.527 0.057 0.000 0.303 443 F C 0.489 176.331 175.800 0.070 0.000 1.092 443 F CA -0.335 57.700 58.000 0.058 0.000 1.305 443 F CB 0.177 39.204 39.000 0.046 0.000 1.054 443 F HN 0.141 nan 8.300 nan 0.000 0.565 444 Q N 1.690 121.596 119.800 0.175 0.000 2.352 444 Q HA 0.337 4.715 4.340 0.064 0.000 0.260 444 Q C 0.052 176.127 176.000 0.126 0.000 0.976 444 Q CA 0.133 56.018 55.803 0.137 0.000 0.881 444 Q CB 0.921 29.714 28.738 0.092 0.000 1.235 444 Q HN 0.090 nan 8.270 nan 0.000 0.419 445 R N 1.744 122.312 120.500 0.113 0.000 2.799 445 R HA 0.369 4.747 4.340 0.064 0.000 0.270 445 R C -0.643 175.705 176.300 0.079 0.000 1.010 445 R CA -0.632 55.527 56.100 0.097 0.000 0.916 445 R CB 1.283 31.643 30.300 0.100 0.000 1.228 445 R HN 0.716 nan 8.270 nan 0.000 0.469 446 D N -0.259 120.180 120.400 0.065 0.000 3.555 446 D HA -0.154 4.524 4.640 0.064 0.000 0.215 446 D C 0.281 176.608 176.300 0.045 0.000 1.480 446 D CA 1.875 55.903 54.000 0.047 0.000 1.126 446 D CB -1.135 39.690 40.800 0.041 0.000 0.676 446 D HN 0.904 nan 8.370 nan 0.000 0.824 447 G N -1.168 107.652 108.800 0.033 0.000 2.716 447 G HA2 0.193 4.191 3.960 0.064 0.000 0.686 447 G HA3 0.193 4.191 3.960 0.064 0.000 0.686 447 G C -0.233 174.668 174.900 0.002 0.000 1.337 447 G CA 0.077 45.196 45.100 0.032 0.000 0.829 447 G HN 0.790 nan 8.290 nan 0.000 0.599 448 M N 2.464 122.048 119.600 -0.027 0.000 2.250 448 M HA 0.386 4.904 4.480 0.064 0.000 0.337 448 M C 1.409 177.636 176.300 -0.121 0.000 1.161 448 M CA 0.887 56.079 55.300 -0.180 0.000 1.088 448 M CB -0.509 31.932 32.600 -0.266 0.000 1.639 448 M HN 1.169 nan 8.290 nan 0.000 0.447 449 H N 0.471 119.546 119.070 0.009 0.000 2.886 449 H HA -0.160 4.433 4.556 0.061 0.000 0.294 449 H C -0.338 174.982 175.328 -0.013 0.000 1.246 449 H CA 0.674 56.722 56.048 0.001 0.000 1.142 449 H CB -1.802 27.962 29.762 0.004 0.000 1.358 449 H HN 0.609 nan 8.280 nan 0.000 0.406 450 R N 1.276 121.808 120.500 0.053 0.000 2.370 450 R HA 0.131 4.510 4.340 0.064 0.000 0.309 450 R C 1.316 177.632 176.300 0.026 0.000 1.059 450 R CA -0.078 56.042 56.100 0.034 0.000 0.981 450 R CB 0.346 30.663 30.300 0.028 0.000 0.972 450 R HN 0.138 nan 8.270 nan 0.000 0.437 451 M N 2.479 122.082 119.600 0.006 0.000 2.412 451 M HA 0.228 4.746 4.480 0.064 0.000 0.263 451 M C 0.934 177.233 176.300 -0.001 0.000 1.122 451 M CA 0.914 56.213 55.300 -0.001 0.000 1.179 451 M CB -0.750 31.837 32.600 -0.023 0.000 1.335 451 M HN 0.688 nan 8.290 nan 0.000 0.465 452 G N 2.035 110.837 108.800 0.004 0.000 2.343 452 G HA2 0.408 4.406 3.960 0.064 0.000 0.254 452 G HA3 0.408 4.406 3.960 0.064 0.000 0.254 452 G C -0.374 174.526 174.900 -0.000 0.000 1.277 452 G CA -0.366 44.733 45.100 -0.001 0.000 0.909 452 G HN 0.304 nan 8.290 nan 0.000 0.502 453 I N 2.964 123.527 120.570 -0.012 0.000 2.306 453 I HA 0.104 4.312 4.170 0.064 0.000 0.288 453 I C -0.279 175.831 176.117 -0.011 0.000 1.036 453 I CA -0.544 60.754 61.300 -0.004 0.000 1.221 453 I CB 0.980 38.978 38.000 -0.003 0.000 1.385 453 I HN 0.357 nan 8.210 nan 0.000 0.472 454 D N 4.837 125.235 120.400 -0.002 0.000 2.351 454 D HA 0.069 4.747 4.640 0.064 0.000 0.251 454 D C 1.207 177.512 176.300 0.008 0.000 1.137 454 D CA 0.206 54.202 54.000 -0.006 0.000 0.879 454 D CB 1.860 42.663 40.800 0.005 0.000 1.181 454 D HN 0.568 nan 8.370 nan 0.000 0.448 455 T N -0.805 113.750 114.554 0.001 0.000 3.060 455 T HA -0.071 4.318 4.350 0.064 0.000 0.249 455 T C 0.863 175.577 174.700 0.023 0.000 1.079 455 T CA -0.498 61.608 62.100 0.009 0.000 1.013 455 T CB 0.143 69.010 68.868 -0.002 0.000 0.975 455 T HN 0.130 nan 8.240 nan 0.000 0.518 456 N N 3.372 122.088 118.700 0.027 0.000 2.411 456 N HA 0.085 4.864 4.740 0.064 0.000 0.265 456 N C -1.614 173.941 175.510 0.074 0.000 1.266 456 N CA -1.623 51.456 53.050 0.048 0.000 0.889 456 N CB 1.346 39.863 38.487 0.049 0.000 1.069 456 N HN 0.045 nan 8.380 nan 0.000 0.476 457 P HA -0.066 nan 4.420 nan 0.000 0.217 457 P C -0.491 176.877 177.300 0.113 0.000 1.148 457 P CA 1.060 64.211 63.100 0.084 0.000 0.828 457 P CB 0.138 31.883 31.700 0.075 0.000 0.783 458 A N 0.603 123.481 122.820 0.096 0.000 2.301 458 A HA 0.387 4.746 4.320 0.064 0.000 0.312 458 A C 0.504 178.198 177.584 0.183 0.000 1.182 458 A CA -0.641 51.410 52.037 0.024 0.000 0.826 458 A CB -0.068 18.767 19.000 -0.275 0.000 1.134 458 A HN 0.291 nan 8.150 nan 0.000 0.501 459 N N 0.384 119.230 118.700 0.244 0.000 2.416 459 N HA 0.382 5.161 4.740 0.064 0.000 0.267 459 N C -0.885 174.796 175.510 0.285 0.000 1.294 459 N CA -0.376 52.894 53.050 0.367 0.000 0.891 459 N CB 0.303 38.958 38.487 0.279 0.000 1.238 459 N HN 0.689 nan 8.380 nan 0.000 0.508 460 Y N -1.211 118.955 120.300 -0.222 0.000 2.638 460 Y HA 0.655 5.240 4.550 0.059 0.000 0.335 460 Y C -1.585 173.677 175.900 -1.063 0.000 1.155 460 Y CA -1.379 56.410 58.100 -0.518 0.000 1.046 460 Y CB 0.962 39.288 38.460 -0.223 0.000 1.303 460 Y HN 0.086 nan 8.280 nan 0.000 0.460 461 E N 0.824 120.501 120.200 -0.872 0.000 2.356 461 E HA 0.662 5.050 4.350 0.064 0.000 0.275 461 E C -3.176 173.312 176.600 -0.187 0.000 0.904 461 E CA -2.046 53.967 56.400 -0.644 0.000 0.757 461 E CB 1.727 31.009 29.700 -0.697 0.000 1.232 461 E HN 0.571 nan 8.360 nan 0.000 0.442 462 P HA 0.274 nan 4.420 nan 0.000 0.275 462 P C -1.300 175.942 177.300 -0.096 0.000 1.227 462 P CA -0.466 62.562 63.100 -0.121 0.000 0.781 462 P CB 0.503 32.169 31.700 -0.056 0.000 0.906 463 N N -1.172 117.392 118.700 -0.227 0.000 2.225 463 N HA 0.296 5.074 4.740 0.064 0.000 0.298 463 N C 0.432 175.888 175.510 -0.089 0.000 1.076 463 N CA -0.771 52.153 53.050 -0.208 0.000 0.792 463 N CB 1.545 39.607 38.487 -0.708 0.000 1.498 463 N HN 0.189 nan 8.380 nan 0.000 0.474 464 S N 1.320 117.019 115.700 -0.000 0.000 2.470 464 S HA -0.056 4.452 4.470 0.064 0.000 0.222 464 S C 1.558 176.169 174.600 0.020 0.000 1.024 464 S CA 0.224 58.426 58.200 0.003 0.000 0.931 464 S CB -0.819 62.396 63.200 0.025 0.000 0.791 464 S HN 0.727 nan 8.310 nan 0.000 0.513 465 I N -0.843 119.748 120.570 0.036 0.000 2.830 465 I HA 0.223 4.431 4.170 0.064 0.000 0.263 465 I C 1.257 177.407 176.117 0.054 0.000 1.230 465 I CA 1.164 62.498 61.300 0.055 0.000 1.480 465 I CB -0.390 37.664 38.000 0.090 0.000 1.095 465 I HN 0.165 nan 8.210 nan 0.000 0.455 466 N N 1.315 120.041 118.700 0.043 0.000 2.351 466 N HA 0.039 4.818 4.740 0.064 0.000 0.254 466 N C -0.105 175.500 175.510 0.157 0.000 1.241 466 N CA -0.078 53.038 53.050 0.109 0.000 0.883 466 N CB -0.040 38.527 38.487 0.133 0.000 1.202 466 N HN 0.184 nan 8.380 nan 0.000 0.512 467 D N 0.868 121.312 120.400 0.073 0.000 2.737 467 D HA -0.262 4.416 4.640 0.064 0.000 0.233 467 D C -0.032 176.152 176.300 -0.193 0.000 1.155 467 D CA 1.032 55.038 54.000 0.010 0.000 0.667 467 D CB -1.285 39.598 40.800 0.138 0.000 1.060 467 D HN 0.499 nan 8.370 nan 0.000 0.427 468 N N -1.727 116.884 118.700 -0.150 0.000 2.828 468 N HA -0.250 4.529 4.740 0.064 0.000 0.248 468 N C -0.775 174.614 175.510 -0.202 0.000 1.044 468 N CA 1.412 54.334 53.050 -0.214 0.000 0.851 468 N CB -1.290 37.033 38.487 -0.275 0.000 1.136 468 N HN 0.530 nan 8.380 nan 0.000 0.572 469 W N 1.167 122.516 121.300 0.081 0.000 2.313 469 W HA 0.428 5.126 4.660 0.062 0.000 0.328 469 W C -1.634 174.923 176.519 0.062 0.000 1.197 469 W CA -1.600 55.774 57.345 0.047 0.000 1.235 469 W CB 0.534 29.974 29.460 -0.033 0.000 1.158 469 W HN -0.040 nan 8.180 nan 0.000 0.578 470 P HA 0.155 nan 4.420 nan 0.000 0.275 470 P C -0.722 176.694 177.300 0.193 0.000 1.228 470 P CA -0.038 63.189 63.100 0.211 0.000 0.786 470 P CB 0.955 32.632 31.700 -0.038 0.000 0.927 471 R N 1.552 122.151 120.500 0.164 0.000 2.474 471 R HA 0.288 4.666 4.340 0.064 0.000 0.295 471 R C 0.373 176.701 176.300 0.047 0.000 0.980 471 R CA -0.802 55.273 56.100 -0.043 0.000 0.934 471 R CB 1.022 31.068 30.300 -0.423 0.000 1.101 471 R HN 0.499 nan 8.270 nan 0.000 0.469 472 E N 0.865 121.085 120.200 0.035 0.000 2.492 472 E HA -0.048 4.341 4.350 0.064 0.000 0.266 472 E C -0.511 176.111 176.600 0.037 0.000 1.047 472 E CA 0.898 57.327 56.400 0.048 0.000 0.968 472 E CB 0.499 30.218 29.700 0.031 0.000 0.960 472 E HN 0.370 nan 8.360 nan 0.000 0.452 473 T N 3.710 118.297 114.554 0.056 0.000 2.841 473 T HA 0.347 4.736 4.350 0.064 0.000 0.285 473 T C -2.420 172.304 174.700 0.040 0.000 0.991 473 T CA -1.542 60.589 62.100 0.052 0.000 0.966 473 T CB 1.535 70.446 68.868 0.072 0.000 0.962 473 T HN 0.231 nan 8.240 nan 0.000 0.438 474 P HA 0.233 nan 4.420 nan 0.000 0.269 474 P C -2.413 174.893 177.300 0.010 0.000 1.215 474 P CA -1.135 61.972 63.100 0.013 0.000 0.780 474 P CB -0.276 31.427 31.700 0.005 0.000 0.898 475 P HA 0.301 nan 4.420 nan 0.000 0.272 475 P C 0.020 177.309 177.300 -0.019 0.000 1.230 475 P CA 0.318 63.403 63.100 -0.025 0.000 0.788 475 P CB 0.710 32.375 31.700 -0.058 0.000 0.949 476 G N 0.443 109.230 108.800 -0.021 0.000 2.427 476 G HA2 0.347 4.345 3.960 0.064 0.000 0.306 476 G HA3 0.347 4.345 3.960 0.064 0.000 0.306 476 G C -2.551 172.338 174.900 -0.018 0.000 1.280 476 G CA -0.639 44.451 45.100 -0.017 0.000 0.837 476 G HN 0.117 nan 8.290 nan 0.000 0.482 477 P HA 0.127 nan 4.420 nan 0.000 0.218 477 P C 0.171 177.467 177.300 -0.006 0.000 1.149 477 P CA 1.184 64.276 63.100 -0.013 0.000 0.817 477 P CB 0.144 31.839 31.700 -0.008 0.000 0.785 478 K N -2.047 118.356 120.400 0.005 0.000 2.546 478 K HA 0.391 4.750 4.320 0.064 0.000 0.264 478 K C -0.270 176.346 176.600 0.027 0.000 0.937 478 K CA -0.887 55.411 56.287 0.017 0.000 0.833 478 K CB 1.840 34.351 32.500 0.019 0.000 1.378 478 K HN -0.352 nan 8.250 nan 0.000 0.432 479 R N -0.603 119.921 120.500 0.040 0.000 3.758 479 R HA -0.151 4.227 4.340 0.064 0.000 0.299 479 R C 0.039 176.369 176.300 0.051 0.000 1.182 479 R CA 1.057 57.188 56.100 0.051 0.000 0.809 479 R CB -2.230 28.099 30.300 0.049 0.000 1.249 479 R HN 0.936 nan 8.270 nan 0.000 0.497 480 G N -0.715 108.110 108.800 0.041 0.000 2.511 480 G HA2 0.609 4.607 3.960 0.064 0.000 0.316 480 G HA3 0.609 4.607 3.960 0.064 0.000 0.316 480 G C 0.334 175.267 174.900 0.055 0.000 1.210 480 G CA 0.087 45.209 45.100 0.037 0.000 0.969 480 G HN 0.237 nan 8.290 nan 0.000 0.492 481 G N -1.358 107.475 108.800 0.055 0.000 2.539 481 G HA2 0.410 4.409 3.960 0.064 0.000 0.258 481 G HA3 0.410 4.409 3.960 0.064 0.000 0.258 481 G C -0.676 174.275 174.900 0.084 0.000 1.202 481 G CA -0.578 44.576 45.100 0.091 0.000 0.851 481 G HN 0.455 nan 8.290 nan 0.000 0.556 482 F N 0.651 120.619 119.950 0.029 0.000 2.506 482 F HA 0.345 4.913 4.527 0.068 0.000 0.371 482 F C 0.594 176.410 175.800 0.028 0.000 1.078 482 F CA -0.200 57.814 58.000 0.023 0.000 1.195 482 F CB 0.742 39.760 39.000 0.028 0.000 1.099 482 F HN 0.459 nan 8.300 nan 0.000 0.548 483 E N 4.320 124.165 120.200 -0.593 0.000 2.248 483 E HA 0.333 4.721 4.350 0.064 0.000 0.267 483 E C -1.069 175.203 176.600 -0.545 0.000 0.877 483 E CA -0.839 55.354 56.400 -0.346 0.000 0.759 483 E CB 1.598 31.191 29.700 -0.180 0.000 1.182 483 E HN 0.602 nan 8.360 nan 0.000 0.418 484 S N 2.479 118.093 115.700 -0.144 0.000 2.576 484 S HA 0.013 4.522 4.470 0.064 0.000 0.276 484 S C -0.617 173.969 174.600 -0.023 0.000 1.339 484 S CA -0.358 57.839 58.200 -0.005 0.000 1.039 484 S CB 0.139 63.451 63.200 0.187 0.000 0.902 484 S HN 0.475 nan 8.310 nan 0.000 0.516 485 Y N 2.561 122.802 120.300 -0.099 0.000 2.620 485 Y HA -0.006 4.582 4.550 0.063 0.000 0.330 485 Y C 0.838 176.720 175.900 -0.030 0.000 1.186 485 Y CA 0.172 58.222 58.100 -0.083 0.000 1.467 485 Y CB 0.220 38.628 38.460 -0.087 0.000 1.262 485 Y HN 0.583 nan 8.280 nan 0.000 0.550 486 Q N 5.258 124.669 119.800 -0.649 0.000 3.254 486 Q HA 0.014 4.393 4.340 0.064 0.000 0.315 486 Q C -0.260 175.446 176.000 -0.489 0.000 1.405 486 Q CA -0.041 55.500 55.803 -0.436 0.000 0.966 486 Q CB -0.220 28.331 28.738 -0.312 0.000 1.706 486 Q HN 0.644 nan 8.270 nan 0.000 0.525 487 E N 1.416 121.436 120.200 -0.299 0.000 2.414 487 E HA -0.011 4.377 4.350 0.064 0.000 0.263 487 E C -0.226 176.358 176.600 -0.028 0.000 1.000 487 E CA -0.477 55.885 56.400 -0.063 0.000 0.914 487 E CB 0.640 30.442 29.700 0.171 0.000 0.948 487 E HN 0.124 nan 8.360 nan 0.000 0.444 488 R N 3.047 123.551 120.500 0.008 0.000 2.442 488 R HA 0.180 4.558 4.340 0.064 0.000 0.291 488 R C -1.445 174.886 176.300 0.051 0.000 1.069 488 R CA -0.115 55.997 56.100 0.021 0.000 1.022 488 R CB 0.720 31.037 30.300 0.030 0.000 0.976 488 R HN 0.300 nan 8.270 nan 0.000 0.443 489 V N 5.228 125.163 119.914 0.035 0.000 2.409 489 V HA 0.396 4.555 4.120 0.064 0.000 0.291 489 V C -0.532 175.580 176.094 0.028 0.000 1.020 489 V CA -0.558 61.766 62.300 0.040 0.000 0.848 489 V CB 1.596 33.439 31.823 0.034 0.000 0.990 489 V HN 0.818 nan 8.190 nan 0.000 0.430 490 E N 3.082 123.300 120.200 0.031 0.000 2.281 490 E HA 0.704 5.092 4.350 0.064 0.000 0.266 490 E C -0.098 176.511 176.600 0.015 0.000 0.893 490 E CA -0.426 55.986 56.400 0.019 0.000 0.798 490 E CB 2.342 32.053 29.700 0.019 0.000 1.245 490 E HN 0.950 nan 8.360 nan 0.000 0.410 491 G N 2.406 111.210 108.800 0.006 0.000 2.328 491 G HA2 0.164 4.162 3.960 0.064 0.000 0.295 491 G HA3 0.164 4.162 3.960 0.064 0.000 0.295 491 G C -1.463 173.433 174.900 -0.006 0.000 1.413 491 G CA -1.015 44.084 45.100 -0.001 0.000 0.817 491 G HN 0.359 nan 8.290 nan 0.000 0.546 492 N N -0.010 118.683 118.700 -0.012 0.000 2.495 492 N HA 0.428 5.206 4.740 0.064 0.000 0.280 492 N C -0.212 175.287 175.510 -0.020 0.000 1.168 492 N CA -0.568 52.473 53.050 -0.015 0.000 0.978 492 N CB 1.017 39.494 38.487 -0.016 0.000 1.191 492 N HN 0.410 nan 8.380 nan 0.000 0.497 493 K N 1.066 121.454 120.400 -0.020 0.000 2.351 493 K HA 0.166 4.525 4.320 0.064 0.000 0.287 493 K C -0.687 175.892 176.600 -0.034 0.000 1.068 493 K CA -0.137 56.134 56.287 -0.027 0.000 0.998 493 K CB -0.252 32.233 32.500 -0.025 0.000 0.968 493 K HN 0.336 nan 8.250 nan 0.000 0.464 494 V N 0.292 120.180 119.914 -0.042 0.000 2.925 494 V HA 0.481 4.639 4.120 0.064 0.000 0.311 494 V C -0.568 175.487 176.094 -0.065 0.000 1.104 494 V CA -1.335 60.935 62.300 -0.049 0.000 0.954 494 V CB 2.032 33.827 31.823 -0.046 0.000 1.022 494 V HN 0.626 nan 8.190 nan 0.000 0.427 495 R N 2.441 122.898 120.500 -0.072 0.000 2.369 495 R HA 0.609 4.987 4.340 0.064 0.000 0.310 495 R C -0.536 175.717 176.300 -0.080 0.000 1.141 495 R CA -0.158 55.888 56.100 -0.091 0.000 1.116 495 R CB 0.895 31.127 30.300 -0.113 0.000 1.135 495 R HN 0.946 nan 8.270 nan 0.000 0.529 496 E N 2.194 122.343 120.200 -0.085 0.000 2.335 496 E HA 0.222 4.611 4.350 0.064 0.000 0.280 496 E C -1.268 175.263 176.600 -0.115 0.000 0.918 496 E CA -1.016 55.336 56.400 -0.080 0.000 0.765 496 E CB 1.602 31.262 29.700 -0.066 0.000 1.218 496 E HN 0.132 nan 8.360 nan 0.000 0.425 497 R N 1.799 122.235 120.500 -0.106 0.000 2.389 497 R HA 0.190 4.569 4.340 0.064 0.000 0.295 497 R C -0.486 175.695 176.300 -0.200 0.000 1.075 497 R CA 0.128 56.125 56.100 -0.171 0.000 1.005 497 R CB 1.078 31.335 30.300 -0.071 0.000 0.987 497 R HN 0.409 nan 8.270 nan 0.000 0.452 498 S N 5.147 120.616 115.700 -0.385 0.000 2.546 498 S HA 0.062 4.570 4.470 0.064 0.000 0.290 498 S C -1.479 173.095 174.600 -0.042 0.000 1.290 498 S CA -1.113 56.949 58.200 -0.231 0.000 1.069 498 S CB 0.580 63.581 63.200 -0.332 0.000 0.846 498 S HN 0.533 nan 8.310 nan 0.000 0.495 499 P HA -0.117 nan 4.420 nan 0.000 0.217 499 P C 1.498 178.855 177.300 0.095 0.000 1.148 499 P CA 1.343 64.469 63.100 0.042 0.000 0.828 499 P CB -0.097 31.619 31.700 0.026 0.000 0.783 500 S N -2.266 113.533 115.700 0.165 0.000 2.474 500 S HA -0.092 4.417 4.470 0.064 0.000 0.235 500 S C 1.454 176.214 174.600 0.266 0.000 0.997 500 S CA 0.732 59.057 58.200 0.208 0.000 0.949 500 S CB -1.365 61.993 63.200 0.263 0.000 0.766 500 S HN -0.011 nan 8.310 nan 0.000 0.517 501 F N 2.360 122.301 119.950 -0.016 0.000 2.780 501 F HA 0.364 4.929 4.527 0.064 0.000 0.299 501 F C 1.983 177.714 175.800 -0.115 0.000 1.146 501 F CA -0.618 57.367 58.000 -0.024 0.000 1.428 501 F CB -0.541 38.477 39.000 0.030 0.000 1.115 501 F HN 0.362 nan 8.300 nan 0.000 0.583 502 G N 0.263 109.060 108.800 -0.005 0.000 3.574 502 G HA2 0.098 4.097 3.960 0.064 0.000 0.262 502 G HA3 0.098 4.097 3.960 0.064 0.000 0.262 502 G C -0.066 174.399 174.900 -0.724 0.000 1.231 502 G CA 0.108 45.029 45.100 -0.298 0.000 1.608 502 G HN 0.049 nan 8.290 nan 0.000 0.628 503 E N -0.030 119.652 120.200 -0.863 0.000 2.275 503 E HA 0.365 4.754 4.350 0.064 0.000 0.270 503 E C -0.998 175.155 176.600 -0.745 0.000 0.882 503 E CA -0.776 55.200 56.400 -0.707 0.000 0.758 503 E CB 1.648 31.188 29.700 -0.266 0.000 1.195 503 E HN 0.173 nan 8.360 nan 0.000 0.419 504 Y N 2.455 122.547 120.300 -0.346 0.000 2.540 504 Y HA 0.203 4.791 4.550 0.064 0.000 0.257 504 Y C 0.688 176.326 175.900 -0.437 0.000 1.090 504 Y CA -0.146 57.669 58.100 -0.474 0.000 1.242 504 Y CB 0.412 38.437 38.460 -0.725 0.000 1.325 504 Y HN 0.415 nan 8.280 nan 0.000 0.544 505 Y N -1.722 118.663 120.300 0.142 0.000 2.535 505 Y HA 0.157 4.746 4.550 0.065 0.000 0.266 505 Y C 2.223 178.187 175.900 0.105 0.000 1.088 505 Y CA 0.247 58.426 58.100 0.132 0.000 1.285 505 Y CB -0.179 38.363 38.460 0.137 0.000 1.166 505 Y HN -0.129 nan 8.280 nan 0.000 0.525 506 S N -0.656 115.177 115.700 0.222 0.000 2.383 506 S HA -0.165 4.344 4.470 0.064 0.000 0.227 506 S C 1.628 176.312 174.600 0.140 0.000 1.026 506 S CA 1.326 59.641 58.200 0.192 0.000 0.981 506 S CB -0.387 62.935 63.200 0.202 0.000 0.818 506 S HN 0.578 nan 8.310 nan 0.000 0.472 507 H N 0.823 119.811 119.070 -0.137 0.000 2.363 507 H HA 0.013 4.607 4.556 0.064 0.000 0.301 507 H C -0.603 174.519 175.328 -0.343 0.000 1.074 507 H CA 0.932 56.749 56.048 -0.384 0.000 1.354 507 H CB -1.214 28.096 29.762 -0.753 0.000 1.397 507 H HN 0.317 nan 8.280 nan 0.000 0.516 508 P HA -0.176 nan 4.420 nan 0.000 0.216 508 P C 1.637 179.116 177.300 0.300 0.000 1.153 508 P CA 1.431 64.677 63.100 0.244 0.000 0.858 508 P CB -0.102 31.770 31.700 0.287 0.000 0.789 509 R N -0.415 120.214 120.500 0.216 0.000 2.073 509 R HA -0.144 4.235 4.340 0.064 0.000 0.234 509 R C 2.167 178.594 176.300 0.211 0.000 1.134 509 R CA 1.278 57.508 56.100 0.218 0.000 0.952 509 R CB -1.137 29.255 30.300 0.155 0.000 0.850 509 R HN 0.051 nan 8.270 nan 0.000 0.433 510 L N 0.522 121.811 121.223 0.109 0.000 2.012 510 L HA -0.173 4.205 4.340 0.064 0.000 0.210 510 L C 2.031 178.957 176.870 0.094 0.000 1.073 510 L CA 1.833 56.700 54.840 0.046 0.000 0.748 510 L CB -0.804 41.206 42.059 -0.082 0.000 0.891 510 L HN 0.253 nan 8.230 nan 0.000 0.431 511 F N -0.654 119.311 119.950 0.026 0.000 2.069 511 F HA -0.303 4.263 4.527 0.065 0.000 0.298 511 F C 2.357 178.158 175.800 0.003 0.000 1.113 511 F CA 2.335 60.332 58.000 -0.005 0.000 1.214 511 F CB -0.678 38.346 39.000 0.040 0.000 0.978 511 F HN 0.415 nan 8.300 nan 0.000 0.474 512 W N 1.272 122.573 121.300 0.002 0.000 2.335 512 W HA -0.245 4.453 4.660 0.064 0.000 0.311 512 W C 1.718 178.125 176.519 -0.187 0.000 1.213 512 W CA 1.691 58.986 57.345 -0.083 0.000 1.274 512 W CB -0.719 28.774 29.460 0.056 0.000 1.148 512 W HN 0.086 nan 8.180 nan 0.000 0.498 513 L N 1.113 122.283 121.223 -0.088 0.000 2.376 513 L HA -0.137 4.241 4.340 0.064 0.000 0.219 513 L C 2.263 178.947 176.870 -0.310 0.000 1.133 513 L CA 0.948 55.654 54.840 -0.222 0.000 0.816 513 L CB -0.537 41.516 42.059 -0.010 0.000 0.933 513 L HN -0.125 nan 8.230 nan 0.000 0.449 514 S N -1.475 114.019 115.700 -0.344 0.000 2.575 514 S HA 0.081 4.589 4.470 0.064 0.000 0.215 514 S C 0.667 174.983 174.600 -0.474 0.000 0.966 514 S CA -0.051 57.944 58.200 -0.340 0.000 0.911 514 S CB 0.111 63.138 63.200 -0.287 0.000 0.780 514 S HN 0.280 nan 8.310 nan 0.000 0.514 515 Q N 2.103 121.522 119.800 -0.636 0.000 2.260 515 Q HA 0.298 4.677 4.340 0.064 0.000 0.242 515 Q C 0.564 176.173 176.000 -0.651 0.000 0.932 515 Q CA -0.119 55.264 55.803 -0.701 0.000 0.891 515 Q CB 0.545 28.800 28.738 -0.804 0.000 1.222 515 Q HN 0.409 nan 8.270 nan 0.000 0.453 516 T N -2.053 112.069 114.554 -0.720 0.000 2.766 516 T HA 0.173 4.562 4.350 0.064 0.000 0.295 516 T C -1.779 172.462 174.700 -0.765 0.000 1.024 516 T CA -1.363 60.279 62.100 -0.763 0.000 1.018 516 T CB 0.395 68.562 68.868 -1.169 0.000 1.002 516 T HN 0.207 nan 8.240 nan 0.000 0.532 517 P HA -0.045 nan 4.420 nan 0.000 0.215 517 P C 1.392 178.479 177.300 -0.356 0.000 1.153 517 P CA 1.061 63.939 63.100 -0.369 0.000 0.853 517 P CB -0.263 31.340 31.700 -0.163 0.000 0.788 518 F N -0.090 119.668 119.950 -0.321 0.000 2.234 518 F HA -0.013 4.552 4.527 0.064 0.000 0.299 518 F C 1.797 177.240 175.800 -0.596 0.000 1.087 518 F CA 0.927 58.673 58.000 -0.423 0.000 1.340 518 F CB -1.684 37.053 39.000 -0.439 0.000 1.031 518 F HN -0.076 nan 8.300 nan 0.000 0.500 519 E N 0.456 120.098 120.200 -0.931 0.000 2.106 519 E HA -0.196 4.192 4.350 0.064 0.000 0.192 519 E C 2.218 178.620 176.600 -0.331 0.000 0.984 519 E CA 1.282 57.345 56.400 -0.562 0.000 0.806 519 E CB -0.257 29.073 29.700 -0.618 0.000 0.750 519 E HN 0.624 nan 8.360 nan 0.000 0.458 520 Q N 0.350 119.877 119.800 -0.454 0.000 2.050 520 Q HA -0.167 4.212 4.340 0.064 0.000 0.202 520 Q C 2.298 178.314 176.000 0.026 0.000 0.980 520 Q CA 1.044 56.609 55.803 -0.396 0.000 0.840 520 Q CB -0.144 28.094 28.738 -0.834 0.000 0.898 520 Q HN 0.131 nan 8.270 nan 0.000 0.424 521 R N 0.292 120.785 120.500 -0.011 0.000 2.083 521 R HA -0.197 4.182 4.340 0.064 0.000 0.237 521 R C 1.763 178.238 176.300 0.293 0.000 1.137 521 R CA 1.819 58.008 56.100 0.148 0.000 0.951 521 R CB -0.247 30.118 30.300 0.108 0.000 0.851 521 R HN 0.515 nan 8.270 nan 0.000 0.434 522 H N -0.445 118.719 119.070 0.156 0.000 2.421 522 H HA -0.072 4.522 4.556 0.064 0.000 0.298 522 H C 2.234 177.678 175.328 0.194 0.000 1.087 522 H CA 1.211 57.366 56.048 0.179 0.000 1.330 522 H CB 0.031 29.904 29.762 0.185 0.000 1.388 522 H HN 0.235 nan 8.280 nan 0.000 0.526 523 I N 0.195 120.979 120.570 0.357 0.000 2.142 523 I HA -0.265 3.944 4.170 0.064 0.000 0.240 523 I C 2.331 178.744 176.117 0.493 0.000 1.078 523 I CA 0.809 62.359 61.300 0.416 0.000 1.343 523 I CB -0.223 38.116 38.000 0.565 0.000 1.046 523 I HN 0.068 nan 8.210 nan 0.000 0.405 524 V N 1.010 121.214 119.914 0.483 0.000 2.278 524 V HA -0.369 3.790 4.120 0.064 0.000 0.251 524 V C 2.070 178.346 176.094 0.303 0.000 1.062 524 V CA 2.271 64.794 62.300 0.373 0.000 1.038 524 V CB -0.727 31.272 31.823 0.292 0.000 0.646 524 V HN 0.440 nan 8.190 nan 0.000 0.447 525 D N 0.171 120.732 120.400 0.269 0.000 2.144 525 D HA -0.073 4.605 4.640 0.064 0.000 0.200 525 D C 2.157 178.549 176.300 0.153 0.000 0.978 525 D CA 1.474 55.601 54.000 0.212 0.000 0.833 525 D CB -0.589 40.339 40.800 0.215 0.000 0.961 525 D HN 0.484 nan 8.370 nan 0.000 0.470 526 G N 0.209 109.078 108.800 0.115 0.000 2.453 526 G HA2 -0.255 3.743 3.960 0.064 0.000 0.215 526 G HA3 -0.255 3.743 3.960 0.064 0.000 0.215 526 G C 1.452 176.359 174.900 0.010 0.000 1.201 526 G CA 0.232 45.303 45.100 -0.047 0.000 0.784 526 G HN 0.155 nan 8.290 nan 0.000 0.545 527 F N 1.841 121.837 119.950 0.078 0.000 2.120 527 F HA -0.133 4.432 4.527 0.064 0.000 0.300 527 F C 3.198 178.917 175.800 -0.135 0.000 1.095 527 F CA 1.723 59.699 58.000 -0.040 0.000 1.249 527 F CB -0.445 38.540 39.000 -0.025 0.000 0.995 527 F HN 0.093 nan 8.300 nan 0.000 0.480 528 S N -0.249 115.556 115.700 0.175 0.000 2.355 528 S HA -0.202 4.306 4.470 0.064 0.000 0.222 528 S C 1.872 176.490 174.600 0.030 0.000 1.031 528 S CA 1.213 59.457 58.200 0.072 0.000 0.993 528 S CB -0.812 62.453 63.200 0.109 0.000 0.859 528 S HN 0.385 nan 8.310 nan 0.000 0.453 529 F N 2.615 122.533 119.950 -0.054 0.000 2.069 529 F HA -0.155 4.410 4.527 0.064 0.000 0.298 529 F C 2.380 178.118 175.800 -0.104 0.000 1.113 529 F CA 1.663 59.617 58.000 -0.077 0.000 1.214 529 F CB -0.297 38.599 39.000 -0.172 0.000 0.978 529 F HN 0.154 nan 8.300 nan 0.000 0.474 530 E N 0.469 120.645 120.200 -0.041 0.000 2.051 530 E HA -0.209 4.180 4.350 0.064 0.000 0.192 530 E C 2.338 178.738 176.600 -0.332 0.000 0.991 530 E CA 1.670 58.009 56.400 -0.101 0.000 0.799 530 E CB -0.521 29.260 29.700 0.135 0.000 0.748 530 E HN 0.475 nan 8.360 nan 0.000 0.449 531 L N 1.409 122.354 121.223 -0.463 0.000 2.275 531 L HA -0.122 4.256 4.340 0.064 0.000 0.215 531 L C 2.670 179.373 176.870 -0.278 0.000 1.119 531 L CA 0.989 55.537 54.840 -0.486 0.000 0.790 531 L CB -0.458 41.334 42.059 -0.446 0.000 0.919 531 L HN 0.136 nan 8.230 nan 0.000 0.443 532 S N -0.706 114.844 115.700 -0.250 0.000 2.447 532 S HA -0.096 4.412 4.470 0.064 0.000 0.233 532 S C 1.749 176.237 174.600 -0.186 0.000 1.006 532 S CA 0.552 58.634 58.200 -0.197 0.000 0.957 532 S CB -0.094 62.991 63.200 -0.193 0.000 0.773 532 S HN 0.291 nan 8.310 nan 0.000 0.507 533 K N 1.259 121.528 120.400 -0.218 0.000 2.404 533 K HA 0.332 4.691 4.320 0.064 0.000 0.194 533 K C -0.008 176.589 176.600 -0.005 0.000 1.023 533 K CA -0.020 56.201 56.287 -0.111 0.000 1.094 533 K CB -0.073 32.359 32.500 -0.114 0.000 0.841 533 K HN 0.323 nan 8.250 nan 0.000 0.523 534 V N 2.257 122.147 119.914 -0.039 0.000 2.470 534 V HA -0.009 4.149 4.120 0.064 0.000 0.276 534 V C 1.783 177.864 176.094 -0.021 0.000 1.040 534 V CA -0.051 62.253 62.300 0.007 0.000 1.008 534 V CB 1.259 33.055 31.823 -0.046 0.000 0.990 534 V HN -0.121 nan 8.190 nan 0.000 0.477 535 V N 5.176 125.099 119.914 0.016 0.000 2.453 535 V HA -0.045 4.113 4.120 0.064 0.000 0.247 535 V C 1.343 177.420 176.094 -0.029 0.000 1.048 535 V CA 1.310 63.614 62.300 0.006 0.000 1.049 535 V CB -0.422 31.423 31.823 0.037 0.000 0.672 535 V HN 0.757 nan 8.190 nan 0.000 0.457 536 R N 0.768 121.222 120.500 -0.077 0.000 2.210 536 R HA 0.189 4.567 4.340 0.064 0.000 0.338 536 R C -1.774 174.392 176.300 -0.224 0.000 1.062 536 R CA -1.422 54.595 56.100 -0.138 0.000 0.902 536 R CB 0.756 30.890 30.300 -0.277 0.000 1.050 536 R HN 0.235 nan 8.270 nan 0.000 0.461 537 P HA -0.179 nan 4.420 nan 0.000 0.218 537 P C 0.742 177.991 177.300 -0.085 0.000 1.149 537 P CA 0.999 64.056 63.100 -0.071 0.000 0.817 537 P CB 0.014 31.715 31.700 0.001 0.000 0.785 538 Y N -1.051 119.251 120.300 0.003 0.000 2.315 538 Y HA -0.143 4.445 4.550 0.064 0.000 0.288 538 Y C 1.860 177.768 175.900 0.013 0.000 1.154 538 Y CA 0.830 58.933 58.100 0.005 0.000 1.229 538 Y CB -1.832 36.630 38.460 0.005 0.000 0.980 538 Y HN -0.093 nan 8.280 nan 0.000 0.540 539 I N 0.843 120.989 120.570 -0.707 0.000 2.252 539 I HA -0.240 3.969 4.170 0.064 0.000 0.245 539 I C 2.545 178.582 176.117 -0.133 0.000 1.102 539 I CA 1.374 62.454 61.300 -0.367 0.000 1.385 539 I CB -0.377 37.411 38.000 -0.354 0.000 1.064 539 I HN 0.178 nan 8.210 nan 0.000 0.414 540 R N 0.797 121.203 120.500 -0.156 0.000 2.091 540 R HA -0.194 4.185 4.340 0.064 0.000 0.238 540 R C 2.120 178.374 176.300 -0.077 0.000 1.136 540 R CA 1.509 57.532 56.100 -0.128 0.000 0.959 540 R CB -0.462 29.757 30.300 -0.134 0.000 0.856 540 R HN 0.444 nan 8.270 nan 0.000 0.437 541 E N 0.528 120.703 120.200 -0.040 0.000 2.085 541 E HA -0.180 4.208 4.350 0.064 0.000 0.194 541 E C 2.137 178.744 176.600 0.012 0.000 0.994 541 E CA 1.204 57.601 56.400 -0.006 0.000 0.801 541 E CB -0.024 29.696 29.700 0.033 0.000 0.743 541 E HN 0.270 nan 8.360 nan 0.000 0.453 542 R N 0.122 120.646 120.500 0.040 0.000 2.115 542 R HA -0.076 4.302 4.340 0.064 0.000 0.230 542 R C 2.338 178.666 176.300 0.047 0.000 1.111 542 R CA 0.826 56.962 56.100 0.060 0.000 0.976 542 R CB -0.093 30.265 30.300 0.097 0.000 0.870 542 R HN 0.057 nan 8.270 nan 0.000 0.445 543 V N 0.144 120.081 119.914 0.038 0.000 2.358 543 V HA -0.180 3.978 4.120 0.064 0.000 0.246 543 V C 2.203 178.281 176.094 -0.027 0.000 1.047 543 V CA 1.415 63.748 62.300 0.055 0.000 1.035 543 V CB -0.193 31.684 31.823 0.089 0.000 0.658 543 V HN 0.114 nan 8.190 nan 0.000 0.452 544 V N 0.486 120.359 119.914 -0.069 0.000 2.427 544 V HA -0.279 3.879 4.120 0.064 0.000 0.248 544 V C 2.279 178.330 176.094 -0.071 0.000 1.051 544 V CA 2.323 64.555 62.300 -0.114 0.000 1.048 544 V CB -0.658 31.105 31.823 -0.099 0.000 0.666 544 V HN 0.639 nan 8.190 nan 0.000 0.456 545 D N -0.369 120.023 120.400 -0.013 0.000 2.123 545 D HA -0.223 4.456 4.640 0.064 0.000 0.196 545 D C 2.263 178.637 176.300 0.123 0.000 0.992 545 D CA 1.532 55.558 54.000 0.043 0.000 0.833 545 D CB -0.029 40.814 40.800 0.071 0.000 0.954 545 D HN 0.509 nan 8.370 nan 0.000 0.455 546 Q N -0.447 119.398 119.800 0.075 0.000 2.050 546 Q HA -0.095 4.284 4.340 0.064 0.000 0.202 546 Q C 2.489 178.515 176.000 0.043 0.000 0.980 546 Q CA 0.921 56.778 55.803 0.091 0.000 0.840 546 Q CB -0.110 28.698 28.738 0.117 0.000 0.898 546 Q HN 0.393 nan 8.270 nan 0.000 0.424 547 L N 0.214 121.398 121.223 -0.065 0.000 2.081 547 L HA -0.212 4.166 4.340 0.064 0.000 0.212 547 L C 2.392 179.147 176.870 -0.193 0.000 1.080 547 L CA 0.949 55.673 54.840 -0.193 0.000 0.754 547 L CB -0.674 41.164 42.059 -0.369 0.000 0.893 547 L HN 0.228 nan 8.230 nan 0.000 0.433 548 A N -0.917 121.811 122.820 -0.152 0.000 2.121 548 A HA -0.191 4.168 4.320 0.064 0.000 0.218 548 A C 1.711 179.106 177.584 -0.316 0.000 1.154 548 A CA 1.230 53.138 52.037 -0.215 0.000 0.679 548 A CB -0.713 18.167 19.000 -0.199 0.000 0.795 548 A HN 0.462 nan 8.150 nan 0.000 0.458 549 H N -1.411 117.448 119.070 -0.351 0.000 2.551 549 H HA 0.289 4.883 4.556 0.064 0.000 0.266 549 H C 1.584 176.632 175.328 -0.466 0.000 0.964 549 H CA 0.849 56.554 56.048 -0.572 0.000 1.180 549 H CB 0.126 29.129 29.762 -1.265 0.000 1.408 549 H HN 0.492 nan 8.280 nan 0.000 0.563 550 I N -1.076 119.389 120.570 -0.175 0.000 2.681 550 I HA 0.070 4.278 4.170 0.064 0.000 0.247 550 I C -0.117 175.928 176.117 -0.119 0.000 1.091 550 I CA 0.528 61.795 61.300 -0.055 0.000 1.442 550 I CB 0.651 38.643 38.000 -0.013 0.000 1.219 550 I HN 0.095 nan 8.210 nan 0.000 0.451 551 D N -1.112 119.145 120.400 -0.239 0.000 2.937 551 D HA 0.222 4.900 4.640 0.064 0.000 0.215 551 D C 0.168 176.300 176.300 -0.280 0.000 1.274 551 D CA -0.412 53.428 54.000 -0.268 0.000 0.869 551 D CB 1.366 41.869 40.800 -0.496 0.000 1.675 551 D HN -0.212 nan 8.370 nan 0.000 0.538 552 L N 2.395 123.512 121.223 -0.176 0.000 2.156 552 L HA 0.019 4.398 4.340 0.064 0.000 0.208 552 L C 2.134 178.921 176.870 -0.138 0.000 1.095 552 L CA 1.573 56.322 54.840 -0.152 0.000 0.770 552 L CB -1.271 40.726 42.059 -0.103 0.000 0.914 552 L HN 0.622 nan 8.230 nan 0.000 0.439 553 T N -0.024 114.471 114.554 -0.099 0.000 2.737 553 T HA -0.163 4.225 4.350 0.064 0.000 0.265 553 T C 1.890 176.531 174.700 -0.099 0.000 1.038 553 T CA 1.307 63.396 62.100 -0.019 0.000 1.144 553 T CB -0.260 68.690 68.868 0.137 0.000 0.866 553 T HN 0.189 nan 8.240 nan 0.000 0.434 554 L N 1.785 122.781 121.223 -0.378 0.000 1.989 554 L HA 0.023 4.402 4.340 0.064 0.000 0.211 554 L C 2.619 179.259 176.870 -0.382 0.000 1.071 554 L CA 2.189 56.647 54.840 -0.637 0.000 0.749 554 L CB -1.185 40.033 42.059 -1.402 0.000 0.890 554 L HN 0.208 nan 8.230 nan 0.000 0.431 555 A N -1.030 121.575 122.820 -0.359 0.000 1.883 555 A HA -0.307 4.051 4.320 0.064 0.000 0.217 555 A C 2.264 179.744 177.584 -0.173 0.000 1.186 555 A CA 2.124 54.000 52.037 -0.267 0.000 0.624 555 A CB -0.775 18.086 19.000 -0.232 0.000 0.822 555 A HN 0.701 nan 8.150 nan 0.000 0.444 556 Q N -0.999 118.724 119.800 -0.130 0.000 2.084 556 Q HA -0.096 4.282 4.340 0.064 0.000 0.202 556 Q C 2.409 178.380 176.000 -0.048 0.000 0.978 556 Q CA 1.435 57.193 55.803 -0.075 0.000 0.844 556 Q CB -0.347 28.363 28.738 -0.047 0.000 0.898 556 Q HN 0.711 nan 8.270 nan 0.000 0.426 557 A N -0.137 122.661 122.820 -0.036 0.000 1.898 557 A HA -0.113 4.245 4.320 0.064 0.000 0.216 557 A C 2.251 179.837 177.584 0.003 0.000 1.181 557 A CA 1.151 53.196 52.037 0.013 0.000 0.620 557 A CB -0.533 18.508 19.000 0.068 0.000 0.819 557 A HN 0.218 nan 8.150 nan 0.000 0.442 558 V N -0.008 119.878 119.914 -0.047 0.000 2.343 558 V HA -0.239 3.919 4.120 0.064 0.000 0.247 558 V C 3.059 179.120 176.094 -0.056 0.000 1.051 558 V CA 1.866 64.135 62.300 -0.052 0.000 1.036 558 V CB -1.287 30.449 31.823 -0.146 0.000 0.654 558 V HN 0.600 nan 8.190 nan 0.000 0.451 559 A N -0.262 122.514 122.820 -0.073 0.000 1.908 559 A HA -0.298 4.060 4.320 0.064 0.000 0.218 559 A C 2.360 179.925 177.584 -0.032 0.000 1.181 559 A CA 2.334 54.336 52.037 -0.059 0.000 0.627 559 A CB -0.518 18.444 19.000 -0.062 0.000 0.818 559 A HN 0.524 nan 8.150 nan 0.000 0.445 560 K N -0.494 119.896 120.400 -0.018 0.000 2.057 560 K HA -0.168 4.190 4.320 0.064 0.000 0.207 560 K C 1.466 178.070 176.600 0.007 0.000 1.049 560 K CA 1.494 57.780 56.287 -0.001 0.000 0.931 560 K CB -0.206 32.301 32.500 0.011 0.000 0.714 560 K HN 0.418 nan 8.250 nan 0.000 0.440 561 N N 0.714 119.422 118.700 0.013 0.000 2.453 561 N HA -0.106 4.672 4.740 0.064 0.000 0.183 561 N C 1.249 176.761 175.510 0.004 0.000 1.041 561 N CA 0.843 53.907 53.050 0.023 0.000 0.900 561 N CB 0.113 38.628 38.487 0.046 0.000 0.961 561 N HN 0.274 nan 8.380 nan 0.000 0.443 562 L N -1.147 120.067 121.223 -0.016 0.000 2.693 562 L HA 0.259 4.638 4.340 0.064 0.000 0.235 562 L C 0.985 177.841 176.870 -0.023 0.000 1.127 562 L CA -0.043 54.779 54.840 -0.032 0.000 0.914 562 L CB 0.144 42.169 42.059 -0.056 0.000 1.193 562 L HN 0.073 nan 8.230 nan 0.000 0.502 563 G N 1.488 110.280 108.800 -0.013 0.000 2.160 563 G HA2 -0.285 3.713 3.960 0.064 0.000 0.251 563 G HA3 -0.285 3.713 3.960 0.064 0.000 0.251 563 G C 0.079 174.971 174.900 -0.013 0.000 1.008 563 G CA 0.090 45.185 45.100 -0.009 0.000 0.724 563 G HN 0.305 nan 8.290 nan 0.000 0.514 564 I N -0.051 120.506 120.570 -0.021 0.000 2.437 564 I HA 0.495 4.703 4.170 0.064 0.000 0.298 564 I C 0.356 176.459 176.117 -0.023 0.000 0.984 564 I CA -0.705 60.581 61.300 -0.023 0.000 1.214 564 I CB 1.809 39.788 38.000 -0.035 0.000 1.365 564 I HN 0.191 nan 8.210 nan 0.000 0.469 565 E N 6.061 126.249 120.200 -0.020 0.000 2.176 565 E HA 0.403 4.792 4.350 0.064 0.000 0.267 565 E C -1.036 175.547 176.600 -0.027 0.000 0.893 565 E CA -0.721 55.666 56.400 -0.022 0.000 0.761 565 E CB 1.229 30.920 29.700 -0.015 0.000 1.133 565 E HN 0.472 nan 8.360 nan 0.000 0.409 566 L N 3.877 125.078 121.223 -0.036 0.000 2.525 566 L HA 0.061 4.439 4.340 0.064 0.000 0.278 566 L C 1.055 177.904 176.870 -0.035 0.000 1.218 566 L CA 0.150 54.964 54.840 -0.043 0.000 0.878 566 L CB 0.164 42.188 42.059 -0.058 0.000 1.127 566 L HN 0.724 nan 8.230 nan 0.000 0.492 567 T N -1.814 112.719 114.554 -0.034 0.000 2.766 567 T HA 0.042 4.431 4.350 0.064 0.000 0.295 567 T C 0.830 175.509 174.700 -0.035 0.000 1.024 567 T CA -0.767 61.316 62.100 -0.029 0.000 1.018 567 T CB 1.046 69.900 68.868 -0.023 0.000 1.002 567 T HN 0.504 nan 8.240 nan 0.000 0.532 568 D N 0.573 120.955 120.400 -0.029 0.000 2.123 568 D HA -0.088 4.590 4.640 0.064 0.000 0.196 568 D C 1.743 178.019 176.300 -0.040 0.000 0.992 568 D CA 1.303 55.285 54.000 -0.031 0.000 0.833 568 D CB -0.375 40.411 40.800 -0.023 0.000 0.954 568 D HN 0.619 nan 8.370 nan 0.000 0.455 569 D N 0.413 120.790 120.400 -0.038 0.000 2.123 569 D HA -0.146 4.533 4.640 0.064 0.000 0.196 569 D C 2.125 178.378 176.300 -0.077 0.000 0.992 569 D CA 0.868 54.840 54.000 -0.047 0.000 0.833 569 D CB -0.300 40.481 40.800 -0.032 0.000 0.954 569 D HN 0.360 nan 8.370 nan 0.000 0.455 570 Q N -0.189 119.563 119.800 -0.079 0.000 2.119 570 Q HA -0.032 4.346 4.340 0.064 0.000 0.201 570 Q C 2.452 178.375 176.000 -0.127 0.000 0.972 570 Q CA 0.559 56.290 55.803 -0.119 0.000 0.847 570 Q CB -0.091 28.591 28.738 -0.092 0.000 0.903 570 Q HN 0.312 nan 8.270 nan 0.000 0.433 571 L N 0.837 122.006 121.223 -0.090 0.000 2.265 571 L HA -0.166 4.212 4.340 0.064 0.000 0.215 571 L C 1.228 178.048 176.870 -0.083 0.000 1.117 571 L CA 0.584 55.376 54.840 -0.081 0.000 0.782 571 L CB -0.178 41.848 42.059 -0.056 0.000 0.914 571 L HN 0.240 nan 8.230 nan 0.000 0.441 572 N N -0.202 118.447 118.700 -0.085 0.000 2.235 572 N HA 0.223 5.002 4.740 0.064 0.000 0.209 572 N C 0.257 175.707 175.510 -0.100 0.000 1.122 572 N CA 0.065 53.069 53.050 -0.076 0.000 0.845 572 N CB 0.431 38.885 38.487 -0.055 0.000 1.004 572 N HN 0.230 nan 8.380 nan 0.000 0.499 573 I N 1.709 122.185 120.570 -0.157 0.000 2.598 573 I HA -0.050 4.158 4.170 0.064 0.000 0.284 573 I C 0.456 176.479 176.117 -0.157 0.000 1.140 573 I CA 0.348 61.520 61.300 -0.212 0.000 1.420 573 I CB 0.267 38.010 38.000 -0.429 0.000 1.387 573 I HN -0.160 nan 8.210 nan 0.000 0.553 574 T N 8.045 122.537 114.554 -0.104 0.000 2.853 574 T HA 0.144 4.532 4.350 0.064 0.000 0.298 574 T C -2.049 172.615 174.700 -0.060 0.000 0.978 574 T CA -0.805 61.260 62.100 -0.059 0.000 1.152 574 T CB 0.102 68.957 68.868 -0.022 0.000 0.914 574 T HN 0.364 nan 8.240 nan 0.000 0.539 575 P HA 0.145 nan 4.420 nan 0.000 0.266 575 P C -2.166 175.148 177.300 0.024 0.000 1.195 575 P CA -1.102 61.985 63.100 -0.021 0.000 0.768 575 P CB -0.311 31.387 31.700 -0.002 0.000 0.838 576 P HA 0.181 nan 4.420 nan 0.000 0.270 576 P C -2.519 174.837 177.300 0.094 0.000 1.223 576 P CA -1.251 61.917 63.100 0.115 0.000 0.785 576 P CB -0.806 31.012 31.700 0.198 0.000 0.923 577 P HA 0.084 nan 4.420 nan 0.000 0.269 577 P C -0.159 177.193 177.300 0.087 0.000 1.215 577 P CA 0.259 63.408 63.100 0.082 0.000 0.780 577 P CB 0.143 31.894 31.700 0.085 0.000 0.898 578 D N 0.107 120.550 120.400 0.072 0.000 2.378 578 D HA 0.024 4.702 4.640 0.064 0.000 0.238 578 D C -0.117 176.234 176.300 0.085 0.000 1.180 578 D CA 0.204 54.243 54.000 0.066 0.000 0.895 578 D CB 0.350 41.182 40.800 0.054 0.000 1.192 578 D HN -0.038 nan 8.370 nan 0.000 0.438 579 V N 2.802 122.757 119.914 0.070 0.000 2.339 579 V HA 0.046 4.205 4.120 0.064 0.000 0.261 579 V C 0.319 176.505 176.094 0.153 0.000 1.058 579 V CA -0.383 61.987 62.300 0.116 0.000 0.897 579 V CB -0.380 31.425 31.823 -0.029 0.000 1.052 579 V HN 0.605 nan 8.190 nan 0.000 0.480 580 N N 4.460 123.266 118.700 0.177 0.000 2.716 580 N HA -0.234 4.544 4.740 0.064 0.000 0.250 580 N C 1.128 176.698 175.510 0.101 0.000 1.033 580 N CA 1.086 54.224 53.050 0.146 0.000 0.727 580 N CB -0.862 37.752 38.487 0.211 0.000 0.950 580 N HN 1.250 nan 8.380 nan 0.000 0.541 581 G N -2.250 106.597 108.800 0.079 0.000 2.175 581 G HA2 -0.303 3.695 3.960 0.064 0.000 0.244 581 G HA3 -0.303 3.695 3.960 0.064 0.000 0.244 581 G C 0.064 174.994 174.900 0.049 0.000 0.982 581 G CA 0.211 45.344 45.100 0.056 0.000 0.641 581 G HN 0.365 nan 8.290 nan 0.000 0.527 582 L N 0.491 121.746 121.223 0.054 0.000 2.326 582 L HA 0.457 4.836 4.340 0.064 0.000 0.278 582 L C 1.530 178.413 176.870 0.023 0.000 1.092 582 L CA -0.645 54.216 54.840 0.036 0.000 0.810 582 L CB 1.108 43.188 42.059 0.035 0.000 1.153 582 L HN -0.077 nan 8.230 nan 0.000 0.439 583 K N 2.532 122.940 120.400 0.013 0.000 2.361 583 K HA 0.131 4.489 4.320 0.064 0.000 0.194 583 K C -0.204 176.389 176.600 -0.011 0.000 1.032 583 K CA 0.287 56.578 56.287 0.007 0.000 1.048 583 K CB 0.527 33.029 32.500 0.003 0.000 0.842 583 K HN 0.670 nan 8.250 nan 0.000 0.526 584 K N -0.424 119.965 120.400 -0.019 0.000 2.870 584 K HA 0.181 4.540 4.320 0.064 0.000 0.290 584 K C -2.223 174.357 176.600 -0.033 0.000 1.070 584 K CA -0.836 55.423 56.287 -0.046 0.000 0.843 584 K CB 0.976 33.429 32.500 -0.077 0.000 1.475 584 K HN -0.235 nan 8.250 nan 0.000 0.359 585 D N 1.405 121.778 120.400 -0.045 0.000 2.616 585 D HA 0.331 5.009 4.640 0.064 0.000 0.238 585 D C -2.302 173.978 176.300 -0.035 0.000 1.354 585 D CA -1.910 52.081 54.000 -0.014 0.000 0.970 585 D CB 2.316 43.129 40.800 0.021 0.000 1.369 585 D HN 0.278 nan 8.370 nan 0.000 0.585 586 P HA -0.040 nan 4.420 nan 0.000 0.233 586 P C 1.227 178.513 177.300 -0.024 0.000 1.167 586 P CA 0.614 63.681 63.100 -0.057 0.000 0.770 586 P CB 0.264 31.943 31.700 -0.035 0.000 0.837 587 S N -1.041 114.677 115.700 0.031 0.000 2.507 587 S HA -0.032 4.476 4.470 0.064 0.000 0.235 587 S C 1.603 176.276 174.600 0.123 0.000 0.988 587 S CA 0.690 58.944 58.200 0.090 0.000 0.944 587 S CB -1.312 61.968 63.200 0.134 0.000 0.762 587 S HN 0.143 nan 8.310 nan 0.000 0.526 588 L N 1.305 122.560 121.223 0.052 0.000 2.492 588 L HA 0.214 4.592 4.340 0.064 0.000 0.223 588 L C 1.387 178.133 176.870 -0.207 0.000 1.132 588 L CA 0.082 54.937 54.840 0.025 0.000 0.850 588 L CB -0.227 41.829 42.059 -0.004 0.000 0.966 588 L HN 0.323 nan 8.230 nan 0.000 0.454 589 S N -0.398 115.174 115.700 -0.213 0.000 2.554 589 S HA 0.295 4.804 4.470 0.064 0.000 0.278 589 S C 1.096 175.562 174.600 -0.223 0.000 1.242 589 S CA -0.635 57.379 58.200 -0.310 0.000 1.051 589 S CB 1.349 64.375 63.200 -0.290 0.000 0.986 589 S HN 0.168 nan 8.310 nan 0.000 0.502 590 L N 3.402 124.411 121.223 -0.357 0.000 2.093 590 L HA -0.021 4.357 4.340 0.064 0.000 0.208 590 L C 0.883 177.479 176.870 -0.457 0.000 1.085 590 L CA 1.255 55.790 54.840 -0.509 0.000 0.755 590 L CB -0.283 41.145 42.059 -1.050 0.000 0.904 590 L HN 0.774 nan 8.230 nan 0.000 0.435 591 Y N -2.439 117.847 120.300 -0.023 0.000 2.432 591 Y HA 0.331 4.919 4.550 0.064 0.000 0.252 591 Y C 2.122 178.033 175.900 0.019 0.000 1.097 591 Y CA -0.136 58.000 58.100 0.060 0.000 1.250 591 Y CB -0.453 38.070 38.460 0.106 0.000 1.245 591 Y HN -0.044 nan 8.280 nan 0.000 0.522 592 A N 0.554 123.395 122.820 0.035 0.000 1.940 592 A HA -0.078 4.280 4.320 0.064 0.000 0.219 592 A C 0.901 178.516 177.584 0.052 0.000 1.176 592 A CA 1.211 53.245 52.037 -0.005 0.000 0.631 592 A CB -0.525 18.417 19.000 -0.097 0.000 0.814 592 A HN 0.145 nan 8.150 nan 0.000 0.446 593 I N 0.918 121.525 120.570 0.062 0.000 2.306 593 I HA 0.284 4.492 4.170 0.064 0.000 0.288 593 I C -2.578 173.608 176.117 0.115 0.000 1.036 593 I CA -3.025 58.320 61.300 0.075 0.000 1.221 593 I CB 0.301 38.336 38.000 0.058 0.000 1.385 593 I HN -0.014 nan 8.210 nan 0.000 0.472 594 P HA 0.063 nan 4.420 nan 0.000 0.264 594 P C 0.035 177.408 177.300 0.123 0.000 1.183 594 P CA 0.417 63.608 63.100 0.151 0.000 0.763 594 P CB 0.559 32.334 31.700 0.125 0.000 0.807 595 D N 0.565 121.046 120.400 0.135 0.000 2.755 595 D HA 0.078 4.757 4.640 0.064 0.000 0.293 595 D C 0.409 176.770 176.300 0.101 0.000 1.642 595 D CA -0.373 53.690 54.000 0.105 0.000 0.825 595 D CB -0.570 40.290 40.800 0.100 0.000 1.303 595 D HN 0.352 nan 8.370 nan 0.000 0.434 596 G N 0.207 109.075 108.800 0.114 0.000 2.491 596 G HA2 0.355 4.353 3.960 0.064 0.000 0.238 596 G HA3 0.355 4.353 3.960 0.064 0.000 0.238 596 G C -0.642 174.297 174.900 0.064 0.000 1.277 596 G CA 0.057 45.218 45.100 0.101 0.000 0.851 596 G HN 0.183 nan 8.290 nan 0.000 0.573 597 D N 0.461 120.891 120.400 0.050 0.000 2.736 597 D HA 0.188 4.866 4.640 0.064 0.000 0.243 597 D C 0.921 177.234 176.300 0.021 0.000 1.304 597 D CA -0.547 53.469 54.000 0.027 0.000 0.934 597 D CB 1.736 42.545 40.800 0.015 0.000 1.382 597 D HN 0.307 nan 8.370 nan 0.000 0.571 598 V N 1.882 121.802 119.914 0.009 0.000 3.406 598 V HA 0.214 4.372 4.120 0.064 0.000 0.263 598 V C 1.052 177.129 176.094 -0.027 0.000 1.172 598 V CA 0.186 62.487 62.300 0.002 0.000 1.140 598 V CB -0.741 31.078 31.823 -0.008 0.000 0.784 598 V HN 0.434 nan 8.190 nan 0.000 0.467 599 K N 1.370 121.746 120.400 -0.040 0.000 2.447 599 K HA 0.374 4.732 4.320 0.064 0.000 0.281 599 K C 1.209 177.768 176.600 -0.068 0.000 1.031 599 K CA 1.043 57.284 56.287 -0.077 0.000 1.019 599 K CB 0.098 32.560 32.500 -0.064 0.000 0.918 599 K HN 0.713 nan 8.250 nan 0.000 0.476 600 G N 3.228 111.953 108.800 -0.124 0.000 2.194 600 G HA2 -0.209 3.790 3.960 0.064 0.000 0.236 600 G HA3 -0.209 3.790 3.960 0.064 0.000 0.236 600 G C 0.094 175.040 174.900 0.076 0.000 0.987 600 G CA -0.228 44.872 45.100 -0.001 0.000 0.635 600 G HN 0.580 nan 8.290 nan 0.000 0.520 601 R N -0.196 120.317 120.500 0.022 0.000 2.652 601 R HA 0.699 5.078 4.340 0.064 0.000 0.271 601 R C 0.033 176.389 176.300 0.093 0.000 1.129 601 R CA -0.007 56.137 56.100 0.073 0.000 1.200 601 R CB 0.874 31.209 30.300 0.059 0.000 1.146 601 R HN 0.704 nan 8.270 nan 0.000 0.581 602 V N 0.285 120.272 119.914 0.122 0.000 2.888 602 V HA 0.417 4.575 4.120 0.064 0.000 0.309 602 V C -1.072 175.088 176.094 0.110 0.000 1.114 602 V CA -0.744 61.643 62.300 0.144 0.000 0.940 602 V CB 2.463 34.398 31.823 0.188 0.000 1.021 602 V HN 0.357 nan 8.190 nan 0.000 0.426 603 V N 5.564 125.537 119.914 0.098 0.000 2.581 603 V HA 0.829 4.988 4.120 0.064 0.000 0.303 603 V C 0.550 176.701 176.094 0.095 0.000 1.041 603 V CA -0.093 62.256 62.300 0.081 0.000 0.907 603 V CB 1.766 33.621 31.823 0.055 0.000 0.994 603 V HN 1.194 nan 8.190 nan 0.000 0.442 604 A N 5.531 128.414 122.820 0.104 0.000 2.331 604 A HA 0.771 5.129 4.320 0.064 0.000 0.283 604 A C -0.468 177.128 177.584 0.020 0.000 1.142 604 A CA -0.316 51.767 52.037 0.077 0.000 0.812 604 A CB 0.164 19.229 19.000 0.108 0.000 1.074 604 A HN 0.755 nan 8.150 nan 0.000 0.497 605 I N 3.444 124.022 120.570 0.013 0.000 2.354 605 I HA 0.191 4.399 4.170 0.064 0.000 0.286 605 I C -0.631 175.495 176.117 0.014 0.000 1.007 605 I CA -0.208 61.101 61.300 0.015 0.000 1.167 605 I CB 1.255 39.277 38.000 0.036 0.000 1.320 605 I HN 0.493 nan 8.210 nan 0.000 0.458 606 L N 7.205 128.420 121.223 -0.013 0.000 2.325 606 L HA 0.367 4.745 4.340 0.064 0.000 0.284 606 L C 0.098 177.071 176.870 0.171 0.000 1.089 606 L CA -0.307 54.581 54.840 0.081 0.000 0.836 606 L CB 0.213 42.180 42.059 -0.153 0.000 1.184 606 L HN 0.437 nan 8.230 nan 0.000 0.444 607 L N 3.621 124.998 121.223 0.257 0.000 2.466 607 L HA 0.260 4.638 4.340 0.064 0.000 0.257 607 L C 0.203 177.273 176.870 0.334 0.000 1.189 607 L CA -0.380 54.573 54.840 0.189 0.000 0.813 607 L CB 0.871 42.949 42.059 0.031 0.000 1.118 607 L HN 0.703 nan 8.230 nan 0.000 0.471 608 N N -1.879 116.922 118.700 0.168 0.000 2.545 608 N HA 0.218 4.996 4.740 0.064 0.000 0.289 608 N C -0.157 175.337 175.510 -0.026 0.000 1.279 608 N CA -0.777 52.406 53.050 0.221 0.000 0.824 608 N CB 0.787 39.391 38.487 0.193 0.000 1.395 608 N HN 0.550 nan 8.380 nan 0.000 0.526 609 D N -1.771 118.648 120.400 0.031 0.000 2.378 609 D HA -0.096 4.582 4.640 0.064 0.000 0.227 609 D C -0.295 175.968 176.300 -0.061 0.000 1.012 609 D CA 0.837 54.784 54.000 -0.089 0.000 0.905 609 D CB -0.073 40.748 40.800 0.036 0.000 0.895 609 D HN 0.744 nan 8.370 nan 0.000 0.532 610 E N 0.334 120.519 120.200 -0.024 0.000 3.626 610 E HA 0.256 4.644 4.350 0.064 0.000 0.245 610 E C -1.250 175.339 176.600 -0.019 0.000 1.236 610 E CA -0.459 55.926 56.400 -0.025 0.000 1.072 610 E CB 0.742 30.436 29.700 -0.010 0.000 1.309 610 E HN -0.116 nan 8.360 nan 0.000 0.400 611 V N 2.230 122.124 119.914 -0.033 0.000 2.763 611 V HA 0.066 4.224 4.120 0.064 0.000 0.306 611 V C 0.894 176.974 176.094 -0.022 0.000 1.059 611 V CA 0.143 62.431 62.300 -0.020 0.000 1.138 611 V CB 0.915 32.721 31.823 -0.029 0.000 0.940 611 V HN 0.517 nan 8.190 nan 0.000 0.489 612 R N 3.016 123.504 120.500 -0.020 0.000 2.345 612 R HA 0.063 4.441 4.340 0.064 0.000 0.331 612 R C 1.576 177.857 176.300 -0.033 0.000 1.067 612 R CA 0.477 56.560 56.100 -0.029 0.000 0.962 612 R CB 0.394 30.672 30.300 -0.036 0.000 0.987 612 R HN 1.015 nan 8.270 nan 0.000 0.451 613 S N 3.359 119.041 115.700 -0.030 0.000 2.399 613 S HA -0.200 4.309 4.470 0.064 0.000 0.231 613 S C 1.996 176.578 174.600 -0.030 0.000 1.022 613 S CA 0.897 59.080 58.200 -0.028 0.000 0.983 613 S CB -0.076 63.109 63.200 -0.024 0.000 0.803 613 S HN 0.680 nan 8.310 nan 0.000 0.480 614 A N 2.453 125.253 122.820 -0.034 0.000 1.883 614 A HA -0.166 4.192 4.320 0.064 0.000 0.217 614 A C 2.008 179.560 177.584 -0.053 0.000 1.186 614 A CA 1.893 53.907 52.037 -0.039 0.000 0.624 614 A CB -1.117 17.858 19.000 -0.042 0.000 0.822 614 A HN 0.498 nan 8.150 nan 0.000 0.444 615 D N -0.562 119.796 120.400 -0.069 0.000 2.092 615 D HA -0.150 4.529 4.640 0.064 0.000 0.193 615 D C 1.847 178.113 176.300 -0.057 0.000 0.994 615 D CA 1.473 55.415 54.000 -0.096 0.000 0.828 615 D CB -0.483 40.251 40.800 -0.110 0.000 0.963 615 D HN 0.306 nan 8.370 nan 0.000 0.450 616 L N 0.281 121.484 121.223 -0.034 0.000 2.083 616 L HA -0.112 4.266 4.340 0.064 0.000 0.209 616 L C 2.149 179.015 176.870 -0.006 0.000 1.083 616 L CA 1.135 55.967 54.840 -0.012 0.000 0.752 616 L CB -0.599 41.453 42.059 -0.011 0.000 0.899 616 L HN -0.006 nan 8.230 nan 0.000 0.433 617 L N -0.331 120.884 121.223 -0.014 0.000 1.990 617 L HA -0.228 4.150 4.340 0.064 0.000 0.213 617 L C 2.599 179.467 176.870 -0.003 0.000 1.072 617 L CA 2.252 57.087 54.840 -0.008 0.000 0.755 617 L CB -1.119 40.932 42.059 -0.013 0.000 0.889 617 L HN 0.347 nan 8.230 nan 0.000 0.432 618 A N -0.932 121.882 122.820 -0.010 0.000 1.930 618 A HA -0.164 4.195 4.320 0.064 0.000 0.217 618 A C 2.267 179.867 177.584 0.026 0.000 1.175 618 A CA 1.823 53.860 52.037 0.000 0.000 0.627 618 A CB -0.751 18.235 19.000 -0.022 0.000 0.815 618 A HN 0.436 nan 8.150 nan 0.000 0.443 619 I N -0.274 120.314 120.570 0.030 0.000 2.113 619 I HA -0.263 3.945 4.170 0.064 0.000 0.238 619 I C 2.337 178.482 176.117 0.048 0.000 1.070 619 I CA 1.312 62.652 61.300 0.067 0.000 1.332 619 I CB -0.358 37.686 38.000 0.073 0.000 1.044 619 I HN 0.272 nan 8.210 nan 0.000 0.402 620 L N 0.431 121.673 121.223 0.032 0.000 2.141 620 L HA -0.194 4.184 4.340 0.064 0.000 0.209 620 L C 2.575 179.457 176.870 0.020 0.000 1.094 620 L CA 1.159 56.015 54.840 0.027 0.000 0.763 620 L CB -0.605 41.468 42.059 0.023 0.000 0.908 620 L HN 0.248 nan 8.230 nan 0.000 0.437 621 K N 0.797 121.208 120.400 0.018 0.000 2.026 621 K HA -0.184 4.174 4.320 0.064 0.000 0.208 621 K C 2.171 178.780 176.600 0.014 0.000 1.048 621 K CA 1.506 57.801 56.287 0.014 0.000 0.929 621 K CB -0.101 32.406 32.500 0.012 0.000 0.713 621 K HN 0.237 nan 8.250 nan 0.000 0.439 622 A N 1.118 123.952 122.820 0.023 0.000 1.930 622 A HA -0.060 4.299 4.320 0.064 0.000 0.217 622 A C 2.120 179.710 177.584 0.010 0.000 1.175 622 A CA 1.109 53.160 52.037 0.023 0.000 0.627 622 A CB -0.559 18.466 19.000 0.043 0.000 0.815 622 A HN 0.319 nan 8.150 nan 0.000 0.443 623 L N -0.408 120.822 121.223 0.012 0.000 2.017 623 L HA -0.221 4.158 4.340 0.064 0.000 0.208 623 L C 2.673 179.525 176.870 -0.030 0.000 1.073 623 L CA 2.035 56.870 54.840 -0.008 0.000 0.745 623 L CB -0.496 41.566 42.059 0.006 0.000 0.894 623 L HN 0.485 nan 8.230 nan 0.000 0.432 624 K N 0.660 121.051 120.400 -0.014 0.000 2.097 624 K HA -0.185 4.174 4.320 0.064 0.000 0.206 624 K C 2.079 178.663 176.600 -0.027 0.000 1.049 624 K CA 1.361 57.636 56.287 -0.020 0.000 0.933 624 K CB -0.077 32.423 32.500 -0.000 0.000 0.717 624 K HN 0.262 nan 8.250 nan 0.000 0.442 625 A N 1.113 123.923 122.820 -0.016 0.000 2.070 625 A HA -0.101 4.257 4.320 0.064 0.000 0.220 625 A C 1.549 179.119 177.584 -0.025 0.000 1.159 625 A CA 1.307 53.336 52.037 -0.015 0.000 0.656 625 A CB -0.067 18.930 19.000 -0.005 0.000 0.800 625 A HN 0.183 nan 8.150 nan 0.000 0.453 626 K N -1.545 118.833 120.400 -0.036 0.000 2.387 626 K HA 0.223 4.581 4.320 0.064 0.000 0.203 626 K C 0.867 177.420 176.600 -0.079 0.000 1.030 626 K CA 0.572 56.833 56.287 -0.045 0.000 1.099 626 K CB 0.186 32.666 32.500 -0.034 0.000 0.863 626 K HN 0.674 nan 8.250 nan 0.000 0.529 627 G N 1.762 110.498 108.800 -0.106 0.000 2.221 627 G HA2 -0.233 3.766 3.960 0.064 0.000 0.265 627 G HA3 -0.233 3.766 3.960 0.064 0.000 0.265 627 G C 0.050 174.750 174.900 -0.333 0.000 1.041 627 G CA 0.254 45.243 45.100 -0.185 0.000 0.807 627 G HN 0.105 nan 8.290 nan 0.000 0.502 628 V N 2.424 122.187 119.914 -0.251 0.000 2.432 628 V HA 0.416 4.574 4.120 0.064 0.000 0.275 628 V C 0.821 176.757 176.094 -0.263 0.000 1.043 628 V CA -1.123 61.027 62.300 -0.250 0.000 0.925 628 V CB 1.093 32.859 31.823 -0.095 0.000 0.985 628 V HN 0.375 nan 8.190 nan 0.000 0.466 629 H N 2.583 121.665 119.070 0.021 0.000 2.544 629 H HA 0.750 5.344 4.556 0.064 0.000 0.365 629 H C 0.148 175.496 175.328 0.034 0.000 1.268 629 H CA -0.146 55.917 56.048 0.025 0.000 1.400 629 H CB 1.674 31.453 29.762 0.027 0.000 1.538 629 H HN 0.759 nan 8.280 nan 0.000 0.597 630 A N 1.309 124.233 122.820 0.174 0.000 2.414 630 A HA 0.508 4.866 4.320 0.064 0.000 0.306 630 A C -0.670 176.972 177.584 0.095 0.000 1.054 630 A CA -0.944 51.158 52.037 0.109 0.000 0.724 630 A CB 1.354 20.399 19.000 0.076 0.000 1.267 630 A HN 0.730 nan 8.150 nan 0.000 0.418 631 K N 2.415 122.866 120.400 0.085 0.000 2.292 631 K HA 0.725 5.084 4.320 0.064 0.000 0.257 631 K C -1.500 175.129 176.600 0.049 0.000 0.940 631 K CA -0.542 55.786 56.287 0.067 0.000 0.811 631 K CB 1.551 34.100 32.500 0.081 0.000 1.120 631 K HN 0.511 nan 8.250 nan 0.000 0.428 632 L N 4.856 126.099 121.223 0.032 0.000 2.264 632 L HA 0.405 4.784 4.340 0.064 0.000 0.289 632 L C -0.481 176.395 176.870 0.010 0.000 1.044 632 L CA -0.843 54.009 54.840 0.020 0.000 0.807 632 L CB 0.495 42.557 42.059 0.005 0.000 1.192 632 L HN 0.505 nan 8.230 nan 0.000 0.425 633 L N 3.553 124.786 121.223 0.016 0.000 2.334 633 L HA 0.594 4.973 4.340 0.064 0.000 0.273 633 L C -0.879 175.923 176.870 -0.113 0.000 1.013 633 L CA -0.730 54.080 54.840 -0.050 0.000 0.816 633 L CB 2.002 44.056 42.059 -0.008 0.000 1.278 633 L HN 0.423 nan 8.230 nan 0.000 0.431 634 Y N -0.350 119.545 120.300 -0.674 0.000 2.829 634 Y HA 0.200 4.789 4.550 0.064 0.000 0.322 634 Y C 0.820 175.952 175.900 -1.281 0.000 1.357 634 Y CA -0.752 56.827 58.100 -0.869 0.000 1.081 634 Y CB 1.680 39.946 38.460 -0.322 0.000 1.339 634 Y HN 0.547 nan 8.280 nan 0.000 0.469 635 S N 0.484 115.300 115.700 -1.475 0.000 2.558 635 S HA 0.262 4.770 4.470 0.064 0.000 0.217 635 S C 0.030 174.357 174.600 -0.455 0.000 0.975 635 S CA 0.217 57.918 58.200 -0.832 0.000 0.912 635 S CB -0.146 62.708 63.200 -0.576 0.000 0.776 635 S HN 0.600 nan 8.310 nan 0.000 0.526 636 R N -1.124 119.181 120.500 -0.326 0.000 2.795 636 R HA 0.655 5.033 4.340 0.064 0.000 0.268 636 R C -0.741 175.552 176.300 -0.011 0.000 1.041 636 R CA -1.115 54.925 56.100 -0.099 0.000 0.927 636 R CB 0.520 30.807 30.300 -0.021 0.000 1.235 636 R HN -0.079 nan 8.270 nan 0.000 0.463 637 M N 0.056 119.653 119.600 -0.005 0.000 2.154 637 M HA 0.530 5.049 4.480 0.064 0.000 0.251 637 M C 0.980 177.294 176.300 0.024 0.000 1.200 637 M CA 0.788 56.092 55.300 0.006 0.000 0.967 637 M CB 0.473 33.069 32.600 -0.007 0.000 1.362 637 M HN 1.049 nan 8.290 nan 0.000 0.522 638 G N 0.761 109.566 108.800 0.008 0.000 2.601 638 G HA2 -0.132 3.866 3.960 0.064 0.000 0.224 638 G HA3 -0.132 3.866 3.960 0.064 0.000 0.224 638 G C -0.880 174.012 174.900 -0.014 0.000 1.171 638 G CA -0.480 44.621 45.100 0.002 0.000 1.009 638 G HN 0.626 nan 8.290 nan 0.000 0.589 639 E N -0.928 119.256 120.200 -0.027 0.000 2.369 639 E HA 0.631 5.019 4.350 0.064 0.000 0.270 639 E C -0.297 176.236 176.600 -0.112 0.000 0.909 639 E CA -0.493 55.871 56.400 -0.060 0.000 0.775 639 E CB 2.898 32.571 29.700 -0.045 0.000 1.270 639 E HN 1.224 nan 8.360 nan 0.000 0.445 640 V N -1.749 118.064 119.914 -0.168 0.000 3.074 640 V HA 0.729 4.887 4.120 0.064 0.000 0.314 640 V C -0.503 175.507 176.094 -0.139 0.000 1.117 640 V CA -0.671 61.499 62.300 -0.216 0.000 1.014 640 V CB 1.990 33.558 31.823 -0.426 0.000 1.057 640 V HN 0.615 nan 8.190 nan 0.000 0.438 641 T N 2.240 116.727 114.554 -0.112 0.000 2.797 641 T HA 0.798 5.187 4.350 0.064 0.000 0.279 641 T C 0.269 174.927 174.700 -0.070 0.000 0.991 641 T CA 0.257 62.313 62.100 -0.074 0.000 0.979 641 T CB 1.439 70.276 68.868 -0.051 0.000 0.943 641 T HN 1.354 nan 8.240 nan 0.000 0.444 642 A N 2.063 124.849 122.820 -0.057 0.000 2.280 642 A HA 0.391 4.749 4.320 0.064 0.000 0.268 642 A C 1.517 179.080 177.584 -0.035 0.000 1.111 642 A CA -0.349 51.660 52.037 -0.047 0.000 0.814 642 A CB 0.043 19.019 19.000 -0.039 0.000 1.093 642 A HN 0.905 nan 8.150 nan 0.000 0.498 643 D N -0.322 120.060 120.400 -0.029 0.000 2.265 643 D HA -0.180 4.499 4.640 0.064 0.000 0.208 643 D C 0.511 176.798 176.300 -0.021 0.000 0.977 643 D CA 1.538 55.524 54.000 -0.023 0.000 0.871 643 D CB -0.247 40.540 40.800 -0.021 0.000 0.925 643 D HN 0.576 nan 8.370 nan 0.000 0.485 644 D N -1.657 118.729 120.400 -0.022 0.000 2.368 644 D HA 0.220 4.899 4.640 0.064 0.000 0.218 644 D C 1.605 177.894 176.300 -0.019 0.000 1.112 644 D CA 0.270 54.258 54.000 -0.019 0.000 0.834 644 D CB -0.036 40.753 40.800 -0.018 0.000 0.953 644 D HN 0.331 nan 8.370 nan 0.000 0.505 645 G N -0.087 108.700 108.800 -0.022 0.000 2.199 645 G HA2 -0.269 3.729 3.960 0.064 0.000 0.254 645 G HA3 -0.269 3.729 3.960 0.064 0.000 0.254 645 G C 0.427 175.313 174.900 -0.023 0.000 0.982 645 G CA 0.256 45.344 45.100 -0.021 0.000 0.632 645 G HN 0.427 nan 8.290 nan 0.000 0.529 646 T N 1.605 116.144 114.554 -0.025 0.000 2.817 646 T HA 0.413 4.802 4.350 0.064 0.000 0.295 646 T C 0.708 175.388 174.700 -0.033 0.000 0.958 646 T CA 0.092 62.177 62.100 -0.025 0.000 1.157 646 T CB 1.851 70.705 68.868 -0.024 0.000 0.898 646 T HN 0.417 nan 8.240 nan 0.000 0.536 647 V N 6.211 126.107 119.914 -0.030 0.000 2.488 647 V HA 0.249 4.408 4.120 0.064 0.000 0.277 647 V C 0.293 176.364 176.094 -0.040 0.000 1.046 647 V CA -0.391 61.887 62.300 -0.037 0.000 0.986 647 V CB 0.542 32.347 31.823 -0.030 0.000 0.989 647 V HN 0.684 nan 8.190 nan 0.000 0.475 648 L N 8.597 129.786 121.223 -0.057 0.000 2.276 648 L HA 0.449 4.828 4.340 0.064 0.000 0.286 648 L C -2.215 174.620 176.870 -0.058 0.000 1.024 648 L CA -1.707 53.099 54.840 -0.056 0.000 0.826 648 L CB 1.888 43.902 42.059 -0.075 0.000 1.211 648 L HN 0.440 nan 8.230 nan 0.000 0.422 649 P HA 0.242 nan 4.420 nan 0.000 0.275 649 P C -0.595 176.687 177.300 -0.029 0.000 1.228 649 P CA -0.178 62.904 63.100 -0.030 0.000 0.786 649 P CB 1.389 33.080 31.700 -0.016 0.000 0.927 650 I N 1.651 122.206 120.570 -0.026 0.000 2.321 650 I HA 0.243 4.451 4.170 0.064 0.000 0.291 650 I C 1.513 177.623 176.117 -0.010 0.000 0.998 650 I CA -0.510 60.778 61.300 -0.020 0.000 1.227 650 I CB 1.584 39.579 38.000 -0.009 0.000 1.368 650 I HN 0.352 nan 8.210 nan 0.000 0.466 651 A N 5.291 128.108 122.820 -0.005 0.000 1.929 651 A HA 0.513 4.871 4.320 0.064 0.000 0.216 651 A C 0.989 178.574 177.584 0.003 0.000 1.176 651 A CA 1.349 53.389 52.037 0.005 0.000 0.628 651 A CB -0.003 19.009 19.000 0.019 0.000 0.816 651 A HN 0.826 nan 8.150 nan 0.000 0.444 652 A N -2.250 120.564 122.820 -0.010 0.000 2.567 652 A HA 0.552 4.910 4.320 0.064 0.000 0.291 652 A C -0.077 177.462 177.584 -0.075 0.000 1.048 652 A CA 0.048 52.076 52.037 -0.015 0.000 0.661 652 A CB -0.297 18.720 19.000 0.027 0.000 1.288 652 A HN 0.819 nan 8.150 nan 0.000 0.424 653 T N -1.340 113.162 114.554 -0.087 0.000 2.849 653 T HA 0.549 4.937 4.350 0.064 0.000 0.284 653 T C 1.011 175.651 174.700 -0.100 0.000 1.004 653 T CA 0.099 62.075 62.100 -0.206 0.000 1.021 653 T CB 0.045 68.830 68.868 -0.139 0.000 1.013 653 T HN 0.512 nan 8.240 nan 0.000 0.527 654 F N 0.667 120.634 119.950 0.028 0.000 2.115 654 F HA -0.090 4.475 4.527 0.064 0.000 0.300 654 F C 2.918 178.853 175.800 0.225 0.000 1.092 654 F CA 1.215 59.280 58.000 0.108 0.000 1.245 654 F CB -0.668 38.374 39.000 0.069 0.000 0.995 654 F HN 0.716 nan 8.300 nan 0.000 0.481 655 A N 0.118 123.101 122.820 0.272 0.000 1.970 655 A HA 0.086 4.444 4.320 0.064 0.000 0.216 655 A C 2.417 180.072 177.584 0.118 0.000 1.170 655 A CA 1.294 53.436 52.037 0.175 0.000 0.645 655 A CB -1.331 17.730 19.000 0.102 0.000 0.816 655 A HN 0.383 nan 8.150 nan 0.000 0.447 656 G N -0.921 107.935 108.800 0.093 0.000 2.448 656 G HA2 0.299 4.298 3.960 0.064 0.000 0.218 656 G HA3 0.299 4.298 3.960 0.064 0.000 0.218 656 G C 0.619 175.571 174.900 0.087 0.000 1.135 656 G CA 0.949 46.086 45.100 0.062 0.000 0.784 656 G HN 1.050 nan 8.290 nan 0.000 0.543 657 A N 0.689 123.598 122.820 0.148 0.000 3.030 657 A HA 0.707 5.065 4.320 0.064 0.000 0.335 657 A C -2.731 175.016 177.584 0.271 0.000 1.089 657 A CA -1.111 51.029 52.037 0.171 0.000 0.807 657 A CB 1.357 20.454 19.000 0.161 0.000 1.099 657 A HN 0.069 nan 8.150 nan 0.000 0.474 658 P HA 0.058 nan 4.420 nan 0.000 0.271 658 P C 1.371 178.499 177.300 -0.287 0.000 1.244 658 P CA 0.257 63.303 63.100 -0.089 0.000 0.793 658 P CB 0.761 32.395 31.700 -0.110 0.000 0.984 659 S N 0.463 115.624 115.700 -0.898 0.000 2.469 659 S HA -0.127 4.382 4.470 0.064 0.000 0.238 659 S C 1.721 176.170 174.600 -0.253 0.000 0.998 659 S CA 0.956 58.778 58.200 -0.629 0.000 0.957 659 S CB -1.320 61.412 63.200 -0.780 0.000 0.764 659 S HN 0.319 nan 8.310 nan 0.000 0.514 660 L N 1.849 122.928 121.223 -0.240 0.000 2.189 660 L HA -0.092 4.286 4.340 0.064 0.000 0.214 660 L C 2.891 179.576 176.870 -0.307 0.000 1.097 660 L CA 1.621 56.316 54.840 -0.240 0.000 0.764 660 L CB -1.400 40.493 42.059 -0.276 0.000 0.900 660 L HN 0.632 nan 8.230 nan 0.000 0.436 661 T N -3.267 111.176 114.554 -0.185 0.000 3.107 661 T HA 0.241 4.629 4.350 0.064 0.000 0.249 661 T C 0.362 175.142 174.700 0.133 0.000 1.096 661 T CA 0.137 62.196 62.100 -0.068 0.000 1.012 661 T CB -0.305 68.628 68.868 0.108 0.000 0.977 661 T HN 0.156 nan 8.240 nan 0.000 0.527 662 V N -2.721 117.237 119.914 0.073 0.000 3.155 662 V HA 0.580 4.739 4.120 0.064 0.000 0.313 662 V C -0.170 175.968 176.094 0.073 0.000 1.162 662 V CA -0.963 61.412 62.300 0.125 0.000 1.048 662 V CB 2.075 33.990 31.823 0.153 0.000 1.092 662 V HN -0.016 nan 8.190 nan 0.000 0.447 663 D N 0.844 121.290 120.400 0.077 0.000 2.366 663 D HA 0.506 5.184 4.640 0.064 0.000 0.205 663 D C 0.552 176.835 176.300 -0.028 0.000 1.022 663 D CA 1.506 55.523 54.000 0.029 0.000 0.868 663 D CB 1.464 42.303 40.800 0.066 0.000 0.953 663 D HN 1.019 nan 8.370 nan 0.000 0.514 664 A N 0.041 122.862 122.820 0.001 0.000 2.567 664 A HA 0.505 4.863 4.320 0.064 0.000 0.291 664 A C -1.636 175.964 177.584 0.026 0.000 1.048 664 A CA -0.581 51.444 52.037 -0.021 0.000 0.661 664 A CB 1.308 20.282 19.000 -0.045 0.000 1.288 664 A HN -0.108 nan 8.150 nan 0.000 0.424 665 V N 1.174 121.096 119.914 0.014 0.000 2.588 665 V HA 0.623 4.782 4.120 0.064 0.000 0.304 665 V C -0.637 175.459 176.094 0.004 0.000 1.042 665 V CA -0.252 62.069 62.300 0.035 0.000 0.877 665 V CB 1.592 33.453 31.823 0.065 0.000 0.996 665 V HN 0.714 nan 8.190 nan 0.000 0.425 666 I N 3.941 124.519 120.570 0.015 0.000 2.509 666 I HA 0.583 4.791 4.170 0.064 0.000 0.293 666 I C -0.948 175.191 176.117 0.037 0.000 1.020 666 I CA -0.964 60.370 61.300 0.057 0.000 1.088 666 I CB 2.400 40.464 38.000 0.107 0.000 1.267 666 I HN 0.285 nan 8.210 nan 0.000 0.430 667 V N 7.207 127.163 119.914 0.068 0.000 2.349 667 V HA 0.354 4.512 4.120 0.064 0.000 0.284 667 V C -2.167 173.984 176.094 0.095 0.000 1.014 667 V CA -1.574 60.753 62.300 0.045 0.000 0.826 667 V CB 1.355 33.174 31.823 -0.006 0.000 1.009 667 V HN 0.554 nan 8.190 nan 0.000 0.431 668 P HA 0.352 nan 4.420 nan 0.000 0.274 668 P C -0.078 177.242 177.300 0.032 0.000 1.246 668 P CA -0.098 63.019 63.100 0.029 0.000 0.795 668 P CB 1.197 32.905 31.700 0.014 0.000 1.006 669 A N 0.753 123.568 122.820 -0.009 0.000 2.325 669 A HA 0.608 4.966 4.320 0.064 0.000 0.260 669 A C 0.891 178.481 177.584 0.010 0.000 1.133 669 A CA 0.827 52.864 52.037 0.000 0.000 0.801 669 A CB -1.029 17.952 19.000 -0.033 0.000 1.092 669 A HN 0.879 nan 8.150 nan 0.000 0.504 670 G N -0.624 108.181 108.800 0.009 0.000 2.225 670 G HA2 0.004 4.002 3.960 0.064 0.000 0.203 670 G HA3 0.004 4.002 3.960 0.064 0.000 0.203 670 G C -0.347 174.564 174.900 0.018 0.000 1.335 670 G CA 0.055 45.160 45.100 0.009 0.000 1.183 670 G HN 1.175 nan 8.290 nan 0.000 0.488 671 N N 1.955 120.672 118.700 0.028 0.000 3.050 671 N HA 0.215 4.994 4.740 0.064 0.000 0.289 671 N C 1.793 177.338 175.510 0.059 0.000 1.209 671 N CA -0.311 52.760 53.050 0.035 0.000 1.154 671 N CB -0.355 38.155 38.487 0.037 0.000 1.444 671 N HN 0.406 nan 8.380 nan 0.000 0.529 672 I N 0.690 121.285 120.570 0.041 0.000 2.361 672 I HA -0.227 3.981 4.170 0.064 0.000 0.251 672 I C 2.090 178.214 176.117 0.012 0.000 1.133 672 I CA 0.724 62.050 61.300 0.043 0.000 1.413 672 I CB -1.496 36.500 38.000 -0.006 0.000 1.073 672 I HN 0.438 nan 8.210 nan 0.000 0.424 673 A N 0.783 123.599 122.820 -0.006 0.000 1.986 673 A HA -0.313 4.045 4.320 0.064 0.000 0.220 673 A C 2.092 179.692 177.584 0.027 0.000 1.171 673 A CA 2.276 54.306 52.037 -0.012 0.000 0.640 673 A CB -0.831 18.163 19.000 -0.009 0.000 0.811 673 A HN 0.450 nan 8.150 nan 0.000 0.451 674 D N 0.225 120.667 120.400 0.070 0.000 2.133 674 D HA -0.172 4.507 4.640 0.064 0.000 0.195 674 D C 1.587 177.968 176.300 0.135 0.000 0.997 674 D CA 1.896 55.966 54.000 0.117 0.000 0.840 674 D CB -0.223 40.683 40.800 0.177 0.000 0.947 674 D HN 0.675 nan 8.370 nan 0.000 0.452 675 I N -4.064 116.602 120.570 0.160 0.000 4.181 675 I HA 0.460 4.668 4.170 0.064 0.000 0.331 675 I C 1.982 178.207 176.117 0.180 0.000 1.312 675 I CA 0.053 61.469 61.300 0.194 0.000 1.146 675 I CB -0.010 38.154 38.000 0.273 0.000 1.074 675 I HN -0.083 nan 8.210 nan 0.000 0.402 676 A N 1.848 124.685 122.820 0.028 0.000 1.958 676 A HA -0.224 4.134 4.320 0.064 0.000 0.221 676 A C 1.541 179.082 177.584 -0.071 0.000 1.178 676 A CA 2.366 54.281 52.037 -0.204 0.000 0.642 676 A CB -0.584 18.258 19.000 -0.263 0.000 0.816 676 A HN 0.568 nan 8.150 nan 0.000 0.453 677 D N -0.803 119.596 120.400 -0.002 0.000 2.424 677 D HA 0.049 4.728 4.640 0.064 0.000 0.220 677 D C -0.106 176.221 176.300 0.044 0.000 1.150 677 D CA -0.190 53.818 54.000 0.013 0.000 0.831 677 D CB -0.207 40.591 40.800 -0.002 0.000 0.981 677 D HN 0.361 nan 8.370 nan 0.000 0.500 678 N N 0.972 119.716 118.700 0.073 0.000 2.408 678 N HA 0.062 4.840 4.740 0.064 0.000 0.257 678 N C 1.364 176.912 175.510 0.062 0.000 1.064 678 N CA -0.071 53.020 53.050 0.068 0.000 0.952 678 N CB 1.554 40.094 38.487 0.089 0.000 1.093 678 N HN -0.003 nan 8.380 nan 0.000 0.490 679 G N 3.216 112.050 108.800 0.057 0.000 2.442 679 G HA2 -0.263 3.736 3.960 0.064 0.000 0.219 679 G HA3 -0.263 3.736 3.960 0.064 0.000 0.219 679 G C 0.956 175.907 174.900 0.085 0.000 1.141 679 G CA 0.564 45.700 45.100 0.060 0.000 0.763 679 G HN 0.590 nan 8.290 nan 0.000 0.554 680 D N 0.686 121.141 120.400 0.092 0.000 2.144 680 D HA 0.045 4.724 4.640 0.064 0.000 0.200 680 D C 2.795 179.112 176.300 0.028 0.000 0.978 680 D CA 1.113 55.202 54.000 0.147 0.000 0.833 680 D CB -0.344 40.607 40.800 0.251 0.000 0.961 680 D HN 0.302 nan 8.370 nan 0.000 0.470 681 A N 0.870 123.536 122.820 -0.256 0.000 1.898 681 A HA -0.152 4.206 4.320 0.064 0.000 0.216 681 A C 2.014 179.404 177.584 -0.323 0.000 1.181 681 A CA 1.077 52.716 52.037 -0.664 0.000 0.620 681 A CB -0.435 18.070 19.000 -0.823 0.000 0.819 681 A HN 0.137 nan 8.150 nan 0.000 0.442 682 N N -1.413 117.246 118.700 -0.068 0.000 2.120 682 N HA -0.194 4.584 4.740 0.064 0.000 0.188 682 N C 1.687 177.199 175.510 0.003 0.000 1.024 682 N CA 1.802 54.865 53.050 0.021 0.000 0.852 682 N CB -0.438 38.130 38.487 0.135 0.000 1.003 682 N HN 0.686 nan 8.380 nan 0.000 0.424 683 Y N 0.600 120.869 120.300 -0.052 0.000 2.181 683 Y HA -0.283 4.305 4.550 0.064 0.000 0.288 683 Y C 2.410 178.263 175.900 -0.078 0.000 1.146 683 Y CA 1.293 59.359 58.100 -0.057 0.000 1.164 683 Y CB -0.408 38.027 38.460 -0.043 0.000 0.982 683 Y HN 0.018 nan 8.280 nan 0.000 0.515 684 Y N 0.533 120.719 120.300 -0.190 0.000 2.102 684 Y HA -0.366 4.222 4.550 0.064 0.000 0.280 684 Y C 2.096 177.802 175.900 -0.323 0.000 1.178 684 Y CA 2.320 60.273 58.100 -0.244 0.000 1.146 684 Y CB -0.588 37.729 38.460 -0.238 0.000 0.968 684 Y HN 0.138 nan 8.280 nan 0.000 0.504 685 L N -1.216 119.937 121.223 -0.117 0.000 2.093 685 L HA -0.246 4.132 4.340 0.064 0.000 0.208 685 L C 2.433 179.178 176.870 -0.207 0.000 1.085 685 L CA 1.342 56.086 54.840 -0.160 0.000 0.755 685 L CB -0.518 41.408 42.059 -0.221 0.000 0.904 685 L HN 0.276 nan 8.230 nan 0.000 0.435 686 M N -0.559 118.860 119.600 -0.302 0.000 2.175 686 M HA -0.211 4.307 4.480 0.064 0.000 0.264 686 M C 2.269 178.293 176.300 -0.461 0.000 1.063 686 M CA 1.654 56.760 55.300 -0.323 0.000 1.119 686 M CB -0.304 32.105 32.600 -0.318 0.000 1.377 686 M HN 0.226 nan 8.290 nan 0.000 0.415 687 E N 0.580 120.319 120.200 -0.769 0.000 2.047 687 E HA -0.172 4.216 4.350 0.064 0.000 0.191 687 E C 2.003 178.227 176.600 -0.627 0.000 0.987 687 E CA 1.248 57.160 56.400 -0.813 0.000 0.799 687 E CB 0.011 29.201 29.700 -0.850 0.000 0.752 687 E HN 0.459 nan 8.360 nan 0.000 0.449 688 A N 0.312 122.889 122.820 -0.406 0.000 1.933 688 A HA -0.213 4.145 4.320 0.064 0.000 0.218 688 A C 2.049 179.525 177.584 -0.179 0.000 1.175 688 A CA 1.529 53.424 52.037 -0.236 0.000 0.628 688 A CB -0.922 17.996 19.000 -0.137 0.000 0.814 688 A HN 0.581 nan 8.150 nan 0.000 0.444 689 Y N 0.418 120.555 120.300 -0.270 0.000 2.163 689 Y HA -0.171 4.417 4.550 0.064 0.000 0.288 689 Y C 2.381 178.156 175.900 -0.207 0.000 1.136 689 Y CA 2.276 60.249 58.100 -0.211 0.000 1.147 689 Y CB -0.211 38.140 38.460 -0.182 0.000 0.987 689 Y HN 0.293 nan 8.280 nan 0.000 0.509 690 K N -0.643 119.647 120.400 -0.184 0.000 2.103 690 K HA -0.225 4.133 4.320 0.064 0.000 0.207 690 K C 1.057 177.553 176.600 -0.172 0.000 1.048 690 K CA 2.017 58.173 56.287 -0.218 0.000 0.930 690 K CB -0.399 31.910 32.500 -0.320 0.000 0.716 690 K HN 0.591 nan 8.250 nan 0.000 0.444 691 H N 0.055 119.000 119.070 -0.207 0.000 2.524 691 H HA 0.184 4.778 4.556 0.064 0.000 0.280 691 H C -0.047 175.114 175.328 -0.278 0.000 1.018 691 H CA 0.125 56.047 56.048 -0.210 0.000 1.165 691 H CB 0.192 29.828 29.762 -0.210 0.000 1.411 691 H HN 0.104 nan 8.280 nan 0.000 0.569 692 L N 0.107 121.178 121.223 -0.252 0.000 4.089 692 L HA -0.267 4.111 4.340 0.064 0.000 0.408 692 L C -0.437 176.168 176.870 -0.441 0.000 1.184 692 L CA 0.559 55.155 54.840 -0.407 0.000 0.947 692 L CB -1.782 40.013 42.059 -0.440 0.000 2.066 692 L HN 0.280 nan 8.230 nan 0.000 0.851 693 K N 0.636 120.843 120.400 -0.321 0.000 2.118 693 K HA 0.517 4.876 4.320 0.064 0.000 0.267 693 K C -2.174 174.286 176.600 -0.234 0.000 0.991 693 K CA -1.819 54.300 56.287 -0.281 0.000 0.916 693 K CB 0.670 33.059 32.500 -0.185 0.000 1.041 693 K HN -0.212 nan 8.250 nan 0.000 0.455 694 P HA 0.070 nan 4.420 nan 0.000 0.268 694 P C -0.793 176.438 177.300 -0.114 0.000 1.205 694 P CA 0.302 63.298 63.100 -0.174 0.000 0.771 694 P CB 0.462 32.059 31.700 -0.172 0.000 0.858 695 I N 1.444 121.958 120.570 -0.092 0.000 2.647 695 I HA 0.639 4.848 4.170 0.064 0.000 0.295 695 I C -0.505 175.558 176.117 -0.090 0.000 1.078 695 I CA -0.827 60.437 61.300 -0.060 0.000 1.048 695 I CB 2.314 40.307 38.000 -0.012 0.000 1.239 695 I HN 0.254 nan 8.210 nan 0.000 0.421 696 A N 7.205 129.979 122.820 -0.077 0.000 2.356 696 A HA 0.918 5.276 4.320 0.064 0.000 0.310 696 A C -1.245 176.422 177.584 0.138 0.000 1.075 696 A CA -0.425 51.541 52.037 -0.119 0.000 0.746 696 A CB 1.078 19.866 19.000 -0.354 0.000 1.221 696 A HN 0.642 nan 8.150 nan 0.000 0.443 697 L N 1.985 123.358 121.223 0.250 0.000 2.406 697 L HA 0.745 5.123 4.340 0.064 0.000 0.272 697 L C 0.159 177.239 176.870 0.349 0.000 0.980 697 L CA -0.562 54.438 54.840 0.266 0.000 0.831 697 L CB 2.068 44.230 42.059 0.173 0.000 1.253 697 L HN 0.798 nan 8.230 nan 0.000 0.406 698 A N 2.129 125.061 122.820 0.187 0.000 2.337 698 A HA 0.887 5.245 4.320 0.064 0.000 0.329 698 A C 0.582 178.158 177.584 -0.013 0.000 1.146 698 A CA 0.229 52.244 52.037 -0.037 0.000 0.800 698 A CB 1.277 20.080 19.000 -0.327 0.000 1.220 698 A HN 0.997 nan 8.150 nan 0.000 0.472 699 G N 1.626 110.405 108.800 -0.034 0.000 2.614 699 G HA2 -0.323 3.675 3.960 0.064 0.000 0.303 699 G HA3 -0.323 3.675 3.960 0.064 0.000 0.303 699 G C 0.450 175.353 174.900 0.006 0.000 1.270 699 G CA 0.841 45.929 45.100 -0.020 0.000 0.988 699 G HN 0.725 nan 8.290 nan 0.000 0.551 700 D N 1.312 121.712 120.400 -0.001 0.000 2.378 700 D HA 0.254 4.932 4.640 0.064 0.000 0.222 700 D C 2.536 178.840 176.300 0.008 0.000 0.980 700 D CA 1.426 55.421 54.000 -0.009 0.000 0.907 700 D CB -0.599 40.186 40.800 -0.025 0.000 0.899 700 D HN 0.774 nan 8.370 nan 0.000 0.527 701 A N 0.471 123.333 122.820 0.070 0.000 2.070 701 A HA -0.175 4.183 4.320 0.064 0.000 0.220 701 A C 2.061 179.757 177.584 0.187 0.000 1.159 701 A CA 0.776 52.924 52.037 0.185 0.000 0.656 701 A CB -0.366 18.761 19.000 0.212 0.000 0.800 701 A HN 0.137 nan 8.150 nan 0.000 0.453 702 R N -0.304 120.255 120.500 0.099 0.000 2.249 702 R HA -0.108 4.270 4.340 0.064 0.000 0.230 702 R C 1.557 177.871 176.300 0.023 0.000 1.121 702 R CA 0.998 57.142 56.100 0.074 0.000 0.997 702 R CB -0.105 30.226 30.300 0.051 0.000 0.867 702 R HN 0.312 nan 8.270 nan 0.000 0.465 703 K N -0.021 120.349 120.400 -0.050 0.000 2.211 703 K HA -0.151 4.207 4.320 0.064 0.000 0.204 703 K C 1.571 178.063 176.600 -0.181 0.000 1.047 703 K CA 1.365 57.558 56.287 -0.156 0.000 0.935 703 K CB -0.236 32.092 32.500 -0.286 0.000 0.728 703 K HN 0.267 nan 8.250 nan 0.000 0.452 704 F N 1.344 121.270 119.950 -0.041 0.000 2.604 704 F HA -0.038 4.528 4.527 0.064 0.000 0.298 704 F C 2.083 177.835 175.800 -0.081 0.000 1.131 704 F CA 0.578 58.541 58.000 -0.061 0.000 1.457 704 F CB -0.036 38.926 39.000 -0.063 0.000 1.095 704 F HN -0.030 nan 8.300 nan 0.000 0.574 705 K N 0.407 120.857 120.400 0.084 0.000 2.173 705 K HA -0.250 4.108 4.320 0.064 0.000 0.207 705 K C 2.312 178.888 176.600 -0.041 0.000 1.046 705 K CA 1.186 57.473 56.287 0.001 0.000 0.929 705 K CB -0.380 32.118 32.500 -0.003 0.000 0.720 705 K HN 0.292 nan 8.250 nan 0.000 0.453 706 A N 0.828 123.629 122.820 -0.032 0.000 1.902 706 A HA -0.168 4.190 4.320 0.064 0.000 0.217 706 A C 2.153 179.707 177.584 -0.051 0.000 1.181 706 A CA 2.141 54.150 52.037 -0.047 0.000 0.623 706 A CB -0.914 18.055 19.000 -0.051 0.000 0.818 706 A HN 0.334 nan 8.150 nan 0.000 0.443 707 T N 0.558 115.100 114.554 -0.019 0.000 2.833 707 T HA -0.072 4.317 4.350 0.064 0.000 0.269 707 T C 1.415 176.046 174.700 -0.115 0.000 1.054 707 T CA 1.501 63.587 62.100 -0.023 0.000 1.135 707 T CB -0.516 68.387 68.868 0.059 0.000 0.869 707 T HN 0.750 nan 8.240 nan 0.000 0.466 708 I N -1.891 118.554 120.570 -0.207 0.000 3.927 708 I HA 0.455 4.663 4.170 0.064 0.000 0.332 708 I C -0.272 175.582 176.117 -0.438 0.000 1.485 708 I CA -0.801 60.227 61.300 -0.453 0.000 1.131 708 I CB -0.339 37.212 38.000 -0.749 0.000 1.092 708 I HN -0.091 nan 8.210 nan 0.000 0.410 709 K N 1.815 122.083 120.400 -0.219 0.000 3.156 709 K HA -0.131 4.228 4.320 0.064 0.000 0.266 709 K C -0.458 176.071 176.600 -0.118 0.000 0.966 709 K CA 0.351 56.556 56.287 -0.137 0.000 0.719 709 K CB -1.325 31.116 32.500 -0.098 0.000 1.333 709 K HN 0.370 nan 8.250 nan 0.000 0.468 710 I N 0.889 121.389 120.570 -0.116 0.000 2.365 710 I HA 0.258 4.466 4.170 0.064 0.000 0.291 710 I C 1.308 177.406 176.117 -0.032 0.000 1.004 710 I CA -0.816 60.447 61.300 -0.061 0.000 1.311 710 I CB 0.602 38.571 38.000 -0.051 0.000 1.401 710 I HN 0.291 nan 8.210 nan 0.000 0.491 711 A N 4.880 127.692 122.820 -0.013 0.000 2.425 711 A HA 0.132 4.490 4.320 0.064 0.000 0.242 711 A C 1.079 178.660 177.584 -0.005 0.000 1.077 711 A CA -0.245 51.788 52.037 -0.008 0.000 0.781 711 A CB 0.084 19.083 19.000 -0.001 0.000 1.020 711 A HN 0.759 nan 8.150 nan 0.000 0.494 712 D N 0.365 120.762 120.400 -0.005 0.000 2.149 712 D HA -0.183 4.495 4.640 0.064 0.000 0.194 712 D C 1.649 177.951 176.300 0.003 0.000 1.001 712 D CA 1.893 55.892 54.000 -0.001 0.000 0.849 712 D CB -0.134 40.664 40.800 -0.002 0.000 0.939 712 D HN 0.615 nan 8.370 nan 0.000 0.449 713 Q N -0.059 119.743 119.800 0.003 0.000 2.308 713 Q HA 0.066 4.444 4.340 0.064 0.000 0.209 713 Q C 1.004 177.009 176.000 0.007 0.000 0.985 713 Q CA 1.130 56.936 55.803 0.005 0.000 0.881 713 Q CB -0.439 28.302 28.738 0.005 0.000 0.917 713 Q HN 0.388 nan 8.270 nan 0.000 0.443 714 G N -0.185 108.619 108.800 0.007 0.000 2.685 714 G HA2 -0.200 3.799 3.960 0.064 0.000 0.387 714 G HA3 -0.200 3.799 3.960 0.064 0.000 0.387 714 G C -1.025 173.881 174.900 0.009 0.000 1.324 714 G CA -0.196 44.909 45.100 0.008 0.000 0.878 714 G HN 0.276 nan 8.290 nan 0.000 0.527 715 E N -0.471 119.734 120.200 0.009 0.000 2.354 715 E HA 0.430 4.818 4.350 0.064 0.000 0.283 715 E C -0.459 176.137 176.600 -0.007 0.000 0.938 715 E CA -0.557 55.850 56.400 0.012 0.000 0.777 715 E CB 1.193 30.917 29.700 0.041 0.000 1.222 715 E HN 0.609 nan 8.360 nan 0.000 0.423 716 E N 1.511 121.699 120.200 -0.020 0.000 2.585 716 E HA 0.195 4.583 4.350 0.064 0.000 0.252 716 E C 0.670 177.228 176.600 -0.070 0.000 0.981 716 E CA 1.767 58.139 56.400 -0.046 0.000 0.943 716 E CB 0.399 30.070 29.700 -0.048 0.000 0.923 716 E HN 0.816 nan 8.360 nan 0.000 0.486 717 G N 3.360 112.106 108.800 -0.091 0.000 2.211 717 G HA2 -0.182 3.816 3.960 0.064 0.000 0.201 717 G HA3 -0.182 3.816 3.960 0.064 0.000 0.201 717 G C -0.041 174.805 174.900 -0.090 0.000 0.997 717 G CA -0.589 44.436 45.100 -0.126 0.000 0.652 717 G HN 0.414 nan 8.290 nan 0.000 0.500 718 I N 2.245 122.785 120.570 -0.051 0.000 2.390 718 I HA 0.479 4.688 4.170 0.064 0.000 0.283 718 I C 0.465 176.536 176.117 -0.076 0.000 1.016 718 I CA -1.385 59.894 61.300 -0.036 0.000 1.151 718 I CB 1.139 39.150 38.000 0.017 0.000 1.293 718 I HN -0.103 nan 8.210 nan 0.000 0.458 719 V N 7.517 127.341 119.914 -0.151 0.000 2.498 719 V HA 0.395 4.554 4.120 0.064 0.000 0.279 719 V C 0.278 176.292 176.094 -0.134 0.000 1.048 719 V CA -0.398 61.756 62.300 -0.244 0.000 0.967 719 V CB 1.225 32.733 31.823 -0.524 0.000 0.988 719 V HN 0.856 nan 8.190 nan 0.000 0.473 720 E N 4.104 124.315 120.200 0.018 0.000 2.366 720 E HA 0.888 5.276 4.350 0.064 0.000 0.278 720 E C -0.979 175.780 176.600 0.265 0.000 0.923 720 E CA -0.992 55.525 56.400 0.196 0.000 0.761 720 E CB 2.598 32.362 29.700 0.106 0.000 1.231 720 E HN 0.832 nan 8.360 nan 0.000 0.443 721 A N 1.651 124.640 122.820 0.282 0.000 2.544 721 A HA 0.320 4.678 4.320 0.064 0.000 0.291 721 A C -0.598 177.012 177.584 0.043 0.000 1.055 721 A CA -0.582 51.551 52.037 0.159 0.000 0.651 721 A CB 0.977 20.110 19.000 0.222 0.000 1.296 721 A HN 0.594 nan 8.150 nan 0.000 0.431 722 D N 0.480 120.880 120.400 0.001 0.000 2.144 722 D HA 0.027 4.706 4.640 0.064 0.000 0.199 722 D C 1.126 177.371 176.300 -0.092 0.000 0.984 722 D CA 2.370 56.351 54.000 -0.033 0.000 0.834 722 D CB 0.053 40.839 40.800 -0.024 0.000 0.955 722 D HN 0.827 nan 8.370 nan 0.000 0.465 723 S N -1.431 114.177 115.700 -0.154 0.000 2.651 723 S HA 0.718 5.227 4.470 0.064 0.000 0.279 723 S C -0.807 173.470 174.600 -0.539 0.000 1.148 723 S CA -0.912 57.129 58.200 -0.264 0.000 0.837 723 S CB 2.294 65.394 63.200 -0.167 0.000 1.138 723 S HN 0.063 nan 8.310 nan 0.000 0.478 724 A N 1.235 123.639 122.820 -0.692 0.000 2.363 724 A HA 0.715 5.074 4.320 0.064 0.000 0.270 724 A C -0.104 177.279 177.584 -0.334 0.000 1.121 724 A CA 0.039 51.499 52.037 -0.962 0.000 0.800 724 A CB -0.528 18.093 19.000 -0.632 0.000 1.052 724 A HN 1.064 nan 8.150 nan 0.000 0.493 725 D N 0.377 120.715 120.400 -0.103 0.000 3.145 725 D HA 0.402 5.080 4.640 0.064 0.000 0.345 725 D C 1.031 177.386 176.300 0.091 0.000 1.391 725 D CA 0.127 54.128 54.000 0.002 0.000 0.930 725 D CB -0.156 40.638 40.800 -0.010 0.000 1.451 725 D HN 0.420 nan 8.370 nan 0.000 0.555 726 G N -0.243 108.594 108.800 0.062 0.000 2.480 726 G HA2 -0.279 3.719 3.960 0.064 0.000 0.216 726 G HA3 -0.279 3.719 3.960 0.064 0.000 0.216 726 G C 1.453 176.404 174.900 0.085 0.000 1.200 726 G CA 1.836 46.973 45.100 0.061 0.000 0.782 726 G HN 0.461 nan 8.290 nan 0.000 0.554 727 S N -0.447 115.308 115.700 0.092 0.000 2.368 727 S HA -0.077 4.432 4.470 0.064 0.000 0.224 727 S C 2.080 176.756 174.600 0.127 0.000 1.029 727 S CA 1.377 59.630 58.200 0.088 0.000 0.988 727 S CB -0.416 62.831 63.200 0.077 0.000 0.838 727 S HN 0.359 nan 8.310 nan 0.000 0.462 728 F N 1.862 121.810 119.950 -0.004 0.000 2.102 728 F HA -0.075 4.490 4.527 0.064 0.000 0.298 728 F C 2.128 177.924 175.800 -0.007 0.000 1.105 728 F CA 1.725 59.722 58.000 -0.004 0.000 1.239 728 F CB -0.268 38.731 39.000 -0.002 0.000 0.991 728 F HN 0.200 nan 8.300 nan 0.000 0.474 729 M N 0.139 119.901 119.600 0.269 0.000 2.200 729 M HA -0.151 4.367 4.480 0.064 0.000 0.265 729 M C 1.770 178.079 176.300 0.016 0.000 1.066 729 M CA 1.273 56.648 55.300 0.124 0.000 1.127 729 M CB -1.336 31.355 32.600 0.153 0.000 1.379 729 M HN 0.123 nan 8.290 nan 0.000 0.420 730 D N 0.553 120.968 120.400 0.026 0.000 2.117 730 D HA -0.148 4.531 4.640 0.064 0.000 0.197 730 D C 1.994 178.272 176.300 -0.035 0.000 0.987 730 D CA 1.192 55.192 54.000 -0.001 0.000 0.829 730 D CB -0.124 40.683 40.800 0.010 0.000 0.961 730 D HN 0.465 nan 8.370 nan 0.000 0.460 731 E N 0.357 120.523 120.200 -0.058 0.000 2.051 731 E HA -0.125 4.264 4.350 0.064 0.000 0.192 731 E C 2.192 178.712 176.600 -0.133 0.000 0.991 731 E CA 0.215 56.559 56.400 -0.094 0.000 0.799 731 E CB -0.101 29.526 29.700 -0.122 0.000 0.748 731 E HN 0.170 nan 8.360 nan 0.000 0.449 732 L N 1.029 122.136 121.223 -0.194 0.000 2.012 732 L HA -0.212 4.166 4.340 0.064 0.000 0.210 732 L C 2.255 179.055 176.870 -0.117 0.000 1.073 732 L CA 1.541 56.262 54.840 -0.199 0.000 0.748 732 L CB -0.347 41.555 42.059 -0.262 0.000 0.891 732 L HN 0.244 nan 8.230 nan 0.000 0.431 733 L N -0.673 120.503 121.223 -0.077 0.000 2.083 733 L HA -0.212 4.166 4.340 0.064 0.000 0.209 733 L C 2.489 179.333 176.870 -0.042 0.000 1.083 733 L CA 1.537 56.349 54.840 -0.047 0.000 0.752 733 L CB -0.701 41.342 42.059 -0.027 0.000 0.899 733 L HN 0.271 nan 8.230 nan 0.000 0.433 734 T N 0.311 114.838 114.554 -0.045 0.000 2.652 734 T HA -0.213 4.175 4.350 0.064 0.000 0.267 734 T C 1.941 176.610 174.700 -0.052 0.000 1.039 734 T CA 1.444 63.521 62.100 -0.038 0.000 1.153 734 T CB -0.369 68.477 68.868 -0.036 0.000 0.863 734 T HN 0.189 nan 8.240 nan 0.000 0.428 735 L N 0.257 121.429 121.223 -0.084 0.000 2.043 735 L HA -0.175 4.204 4.340 0.064 0.000 0.212 735 L C 2.753 179.556 176.870 -0.111 0.000 1.075 735 L CA 1.546 56.316 54.840 -0.117 0.000 0.752 735 L CB -0.607 41.361 42.059 -0.151 0.000 0.891 735 L HN 0.325 nan 8.230 nan 0.000 0.432 736 M N -0.948 118.603 119.600 -0.083 0.000 2.229 736 M HA -0.145 4.373 4.480 0.064 0.000 0.264 736 M C 2.450 178.749 176.300 -0.001 0.000 1.063 736 M CA 1.553 56.821 55.300 -0.053 0.000 1.114 736 M CB -0.455 32.124 32.600 -0.035 0.000 1.387 736 M HN 0.324 nan 8.290 nan 0.000 0.420 737 A N 0.310 123.131 122.820 0.002 0.000 2.019 737 A HA 0.023 4.382 4.320 0.064 0.000 0.219 737 A C 2.114 179.739 177.584 0.069 0.000 1.164 737 A CA 1.736 53.794 52.037 0.036 0.000 0.644 737 A CB -0.607 18.408 19.000 0.025 0.000 0.805 737 A HN 0.501 nan 8.150 nan 0.000 0.449 738 A N -2.783 120.056 122.820 0.032 0.000 2.307 738 A HA 0.382 4.740 4.320 0.064 0.000 0.218 738 A C 0.882 178.494 177.584 0.048 0.000 1.228 738 A CA 1.165 53.236 52.037 0.057 0.000 0.857 738 A CB -0.446 18.548 19.000 -0.010 0.000 0.897 738 A HN 0.944 nan 8.150 nan 0.000 0.495 739 H N -1.290 117.726 119.070 -0.090 0.000 4.884 739 H HA -0.183 4.411 4.556 0.064 0.000 0.061 739 H C 0.092 175.201 175.328 -0.364 0.000 0.590 739 H CA 2.388 58.365 56.048 -0.118 0.000 0.961 739 H CB -0.569 29.237 29.762 0.074 0.000 0.443 739 H HN 0.459 nan 8.280 nan 0.000 0.794 740 R N -0.468 119.464 120.500 -0.946 0.000 2.799 740 R HA 0.620 4.998 4.340 0.064 0.000 0.270 740 R C -0.780 174.673 176.300 -1.411 0.000 1.010 740 R CA -0.258 55.046 56.100 -1.326 0.000 0.916 740 R CB 1.720 30.884 30.300 -1.893 0.000 1.228 740 R HN 0.061 nan 8.270 nan 0.000 0.469 741 V N 2.143 121.434 119.914 -1.039 0.000 2.218 741 V HA 0.139 4.297 4.120 0.064 0.000 0.261 741 V C 0.621 176.331 176.094 -0.640 0.000 1.142 741 V CA -0.504 61.368 62.300 -0.714 0.000 0.965 741 V CB -0.083 31.465 31.823 -0.458 0.000 1.190 741 V HN 0.718 nan 8.190 nan 0.000 0.478 742 W N 1.557 122.566 121.300 -0.485 0.000 2.392 742 W HA -0.166 4.532 4.660 0.064 0.000 0.279 742 W C 2.516 178.808 176.519 -0.378 0.000 1.225 742 W CA 0.862 57.819 57.345 -0.647 0.000 1.233 742 W CB -0.388 28.262 29.460 -1.351 0.000 1.122 742 W HN 0.648 nan 8.180 nan 0.000 0.561 743 S N 0.753 116.390 115.700 -0.105 0.000 2.469 743 S HA -0.165 4.344 4.470 0.064 0.000 0.238 743 S C 1.704 176.257 174.600 -0.077 0.000 0.998 743 S CA 0.934 59.099 58.200 -0.059 0.000 0.957 743 S CB -0.442 62.727 63.200 -0.051 0.000 0.764 743 S HN 0.412 nan 8.310 nan 0.000 0.514 744 R N 0.670 121.080 120.500 -0.152 0.000 2.276 744 R HA 0.237 4.615 4.340 0.064 0.000 0.203 744 R C 1.785 178.016 176.300 -0.116 0.000 1.017 744 R CA 0.397 56.391 56.100 -0.176 0.000 1.010 744 R CB -0.370 29.712 30.300 -0.363 0.000 0.900 744 R HN 0.478 nan 8.270 nan 0.000 0.469 745 I N 1.725 122.264 120.570 -0.052 0.000 2.151 745 I HA -0.227 3.982 4.170 0.064 0.000 0.243 745 I C -0.810 175.329 176.117 0.037 0.000 1.080 745 I CA 1.300 62.612 61.300 0.021 0.000 1.339 745 I CB -0.864 37.195 38.000 0.098 0.000 1.039 745 I HN 0.155 nan 8.210 nan 0.000 0.409 746 P HA -0.176 nan 4.420 nan 0.000 0.219 746 P C 1.200 178.529 177.300 0.049 0.000 1.146 746 P CA 1.517 64.645 63.100 0.047 0.000 0.808 746 P CB -0.084 31.641 31.700 0.041 0.000 0.779 747 K N -0.621 119.804 120.400 0.041 0.000 2.418 747 K HA 0.056 4.415 4.320 0.064 0.000 0.195 747 K C 1.927 178.595 176.600 0.113 0.000 1.035 747 K CA 0.511 56.847 56.287 0.082 0.000 1.003 747 K CB -0.306 32.267 32.500 0.120 0.000 0.793 747 K HN 0.293 nan 8.250 nan 0.000 0.494 748 I N -2.471 118.137 120.570 0.064 0.000 2.852 748 I HA -0.016 4.193 4.170 0.064 0.000 0.264 748 I C 1.085 177.247 176.117 0.075 0.000 1.179 748 I CA 0.839 62.180 61.300 0.069 0.000 1.480 748 I CB -0.028 37.971 38.000 -0.002 0.000 1.111 748 I HN -0.174 nan 8.210 nan 0.000 0.441 749 D N 2.152 122.596 120.400 0.074 0.000 2.220 749 D HA -0.219 4.460 4.640 0.064 0.000 0.198 749 D C 2.053 178.393 176.300 0.066 0.000 1.001 749 D CA 1.592 55.636 54.000 0.073 0.000 0.875 749 D CB -0.019 40.824 40.800 0.071 0.000 0.921 749 D HN 0.474 nan 8.370 nan 0.000 0.454 750 K N -0.602 119.838 120.400 0.067 0.000 2.166 750 K HA 0.071 4.429 4.320 0.064 0.000 0.201 750 K C 0.343 176.974 176.600 0.051 0.000 1.052 750 K CA -0.104 56.216 56.287 0.055 0.000 0.969 750 K CB 0.146 32.677 32.500 0.051 0.000 0.761 750 K HN 0.167 nan 8.250 nan 0.000 0.459 751 I N 1.426 122.034 120.570 0.062 0.000 2.683 751 I HA 0.082 4.291 4.170 0.064 0.000 0.286 751 I C -2.517 173.626 176.117 0.044 0.000 1.175 751 I CA -2.807 58.521 61.300 0.047 0.000 1.429 751 I CB -0.383 37.656 38.000 0.066 0.000 1.371 751 I HN -0.061 nan 8.210 nan 0.000 0.569 752 P HA 0.600 nan 4.420 nan 0.000 0.262 752 P C -0.806 176.549 177.300 0.092 0.000 1.620 752 P CA -0.081 63.053 63.100 0.057 0.000 1.089 752 P CB 0.602 32.331 31.700 0.048 0.000 1.601 753 A N 0.000 122.874 122.820 0.090 0.000 2.254 753 A HA 0.000 4.358 4.320 0.064 0.000 0.244 753 A CA 0.000 52.130 52.037 0.154 0.000 0.836 753 A CB 0.000 18.959 19.000 -0.068 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486