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 3gck_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVKcDENSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLALPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SNEHSKTQcE EYcIQGDNcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLAREQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYLPFN NKKPSPcEFI NTTARVPcFL DATA SEQUENCE AGDFRASEQI LLATAHTLLL REHNRLAREL KKLNPHWNGE KLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKKSKLMNQD KMVTSELRNK LFQPTHKIHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQTV LKNKILAKKL MDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS TVDKLDLSPW ASREN 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.706 174.600 0.177 0.000 1.055 1 S CA 0.000 58.271 58.200 0.118 0.000 1.107 1 S CB 0.000 63.255 63.200 0.092 0.000 0.593 2 W N 2.057 123.367 121.300 0.018 0.000 1.902 2 W HA 0.366 4.880 4.660 -0.244 0.000 0.360 2 W C 0.448 176.978 176.519 0.018 0.000 1.414 2 W CA -0.052 57.304 57.345 0.018 0.000 1.457 2 W CB 0.146 29.619 29.460 0.022 0.000 1.279 2 W HN 0.556 nan 8.180 nan 0.000 0.665 3 E N 2.033 121.800 120.200 -0.721 0.000 2.443 3 E HA -0.008 4.196 4.350 -0.243 0.000 0.310 3 E C 1.337 177.413 176.600 -0.874 0.000 1.202 3 E CA 0.151 56.099 56.400 -0.753 0.000 1.301 3 E CB -0.977 28.275 29.700 -0.747 0.000 1.104 3 E HN 0.438 nan 8.360 nan 0.000 0.487 4 V N -0.555 119.112 119.914 -0.411 0.000 3.444 4 V HA 0.066 4.040 4.120 -0.243 0.000 0.271 4 V C 1.471 177.448 176.094 -0.195 0.000 1.188 4 V CA 0.722 62.881 62.300 -0.236 0.000 1.168 4 V CB -0.612 31.191 31.823 -0.033 0.000 0.810 4 V HN 0.295 nan 8.190 nan 0.000 0.500 5 G N -0.346 108.316 108.800 -0.229 0.000 2.474 5 G HA2 -0.132 3.683 3.960 -0.243 0.000 0.157 5 G HA3 -0.132 3.683 3.960 -0.243 0.000 0.157 5 G C 0.778 175.617 174.900 -0.101 0.000 1.720 5 G CA 0.745 45.761 45.100 -0.139 0.000 0.931 5 G HN 0.557 nan 8.290 nan 0.000 0.376 6 c N -0.387 118.167 118.600 -0.077 0.000 2.935 6 c HA 0.414 4.838 4.570 -0.243 0.000 0.390 6 c C 1.146 175.219 174.090 -0.029 0.000 1.204 6 c CA 1.150 57.463 56.329 -0.026 0.000 1.785 6 c CB -0.769 41.748 42.510 0.011 0.000 2.610 6 c HN 1.525 nan 8.230 nan 0.000 0.677 7 G N 0.631 109.431 108.800 -0.001 0.000 2.046 7 G HA2 0.545 4.360 3.960 -0.243 0.000 0.180 7 G HA3 0.545 4.360 3.960 -0.243 0.000 0.180 7 G C -0.394 174.506 174.900 0.001 0.000 1.990 7 G CA 0.185 45.283 45.100 -0.003 0.000 0.997 7 G HN 1.340 nan 8.290 nan 0.000 0.592 8 A N 2.553 125.373 122.820 -0.001 0.000 2.066 8 A HA 0.585 4.760 4.320 -0.243 0.000 0.198 8 A C -0.271 177.294 177.584 -0.030 0.000 1.405 8 A CA 0.680 52.709 52.037 -0.013 0.000 0.973 8 A CB 0.117 19.112 19.000 -0.009 0.000 1.026 8 A HN 0.420 nan 8.150 nan 0.000 0.474 9 P HA 0.083 nan 4.420 nan 0.000 0.242 9 P C -0.206 177.074 177.300 -0.035 0.000 1.197 9 P CA 0.512 63.578 63.100 -0.057 0.000 0.765 9 P CB -0.016 31.636 31.700 -0.081 0.000 0.936 10 V N 0.241 120.144 119.914 -0.020 0.000 2.572 10 V HA 0.068 4.042 4.120 -0.243 0.000 0.291 10 V C -0.961 175.132 176.094 -0.001 0.000 1.039 10 V CA -0.985 61.312 62.300 -0.005 0.000 1.055 10 V CB -0.122 31.703 31.823 0.003 0.000 0.969 10 V HN 0.040 nan 8.190 nan 0.000 0.482 11 P HA 0.085 nan 4.420 nan 0.000 0.202 11 P C -0.146 177.161 177.300 0.011 0.000 1.189 11 P CA 0.127 63.233 63.100 0.010 0.000 0.921 11 P CB -0.020 31.692 31.700 0.019 0.000 0.756 12 L N -2.425 118.809 121.223 0.018 0.000 2.263 12 L HA -0.089 4.105 4.340 -0.243 0.000 0.574 12 L C -0.847 176.034 176.870 0.017 0.000 1.000 12 L CA 0.369 55.221 54.840 0.020 0.000 1.256 12 L CB -1.281 40.788 42.059 0.016 0.000 1.933 12 L HN -0.071 nan 8.230 nan 0.000 0.985 13 V N 4.225 124.152 119.914 0.021 0.000 3.230 13 V HA 0.544 4.518 4.120 -0.243 0.000 0.302 13 V C -0.015 176.092 176.094 0.022 0.000 1.421 13 V CA -0.910 61.401 62.300 0.018 0.000 1.065 13 V CB 2.474 34.306 31.823 0.016 0.000 1.097 13 V HN 0.741 nan 8.190 nan 0.000 0.460 14 K N -0.366 120.046 120.400 0.019 0.000 2.148 14 K HA 0.635 4.809 4.320 -0.243 0.000 0.239 14 K C -1.211 175.403 176.600 0.023 0.000 1.018 14 K CA -0.392 55.908 56.287 0.022 0.000 0.923 14 K CB 1.364 33.875 32.500 0.018 0.000 1.117 14 K HN 0.751 nan 8.250 nan 0.000 0.477 15 c N 1.393 120.009 118.600 0.026 0.000 2.329 15 c HA 0.257 4.681 4.570 -0.243 0.000 0.329 15 c C -0.448 173.654 174.090 0.021 0.000 1.275 15 c CA -1.009 55.336 56.329 0.027 0.000 1.726 15 c CB 0.594 43.126 42.510 0.036 0.000 2.291 15 c HN 0.698 nan 8.230 nan 0.000 0.514 16 D N 1.898 122.309 120.400 0.018 0.000 2.313 16 D HA 0.092 4.586 4.640 -0.243 0.000 0.239 16 D C 0.853 177.160 176.300 0.012 0.000 1.142 16 D CA -0.047 53.960 54.000 0.010 0.000 0.847 16 D CB 0.657 41.461 40.800 0.005 0.000 1.082 16 D HN 0.648 nan 8.370 nan 0.000 0.480 17 E N 2.437 122.642 120.200 0.008 0.000 2.409 17 E HA -0.097 4.107 4.350 -0.243 0.000 0.198 17 E C 0.363 176.959 176.600 -0.006 0.000 1.024 17 E CA 0.380 56.784 56.400 0.007 0.000 0.861 17 E CB 0.316 30.020 29.700 0.007 0.000 0.788 17 E HN 0.363 nan 8.360 nan 0.000 0.521 18 N N -0.053 118.638 118.700 -0.016 0.000 2.241 18 N HA 0.020 4.615 4.740 -0.243 0.000 0.238 18 N C -0.696 174.783 175.510 -0.052 0.000 1.244 18 N CA 0.035 53.063 53.050 -0.037 0.000 0.880 18 N CB 1.015 39.476 38.487 -0.043 0.000 1.179 18 N HN -0.125 nan 8.380 nan 0.000 0.513 19 S N 1.813 117.494 115.700 -0.032 0.000 2.558 19 S HA 0.123 4.447 4.470 -0.243 0.000 0.288 19 S C -1.322 173.233 174.600 -0.074 0.000 1.318 19 S CA -0.546 57.615 58.200 -0.064 0.000 1.056 19 S CB 0.744 63.929 63.200 -0.024 0.000 0.853 19 S HN 0.191 nan 8.310 nan 0.000 0.505 20 P HA 0.191 nan 4.420 nan 0.000 0.257 20 P C -0.914 176.169 177.300 -0.362 0.000 1.325 20 P CA 0.172 63.049 63.100 -0.372 0.000 0.850 20 P CB -0.135 31.175 31.700 -0.650 0.000 1.324 21 Y N -0.578 119.735 120.300 0.022 0.000 2.605 21 Y HA 0.493 4.902 4.550 -0.235 0.000 0.343 21 Y C 1.028 176.533 175.900 -0.657 0.000 1.036 21 Y CA -1.560 56.393 58.100 -0.244 0.000 1.065 21 Y CB 1.681 40.028 38.460 -0.189 0.000 1.288 21 Y HN -0.395 nan 8.280 nan 0.000 0.481 22 R N 0.422 120.519 120.500 -0.672 0.000 2.531 22 R HA 0.313 4.507 4.340 -0.243 0.000 0.273 22 R C -0.032 176.084 176.300 -0.308 0.000 1.070 22 R CA -0.413 55.237 56.100 -0.750 0.000 1.112 22 R CB 0.691 30.633 30.300 -0.596 0.000 1.049 22 R HN 0.709 nan 8.270 nan 0.000 0.508 23 T N -1.245 113.181 114.554 -0.214 0.000 2.788 23 T HA 0.153 4.358 4.350 -0.243 0.000 0.280 23 T C 1.287 175.958 174.700 -0.048 0.000 0.984 23 T CA -0.799 61.251 62.100 -0.082 0.000 0.972 23 T CB 0.584 69.433 68.868 -0.031 0.000 1.039 23 T HN 0.256 nan 8.240 nan 0.000 0.530 24 I N 1.354 121.926 120.570 0.003 0.000 3.059 24 I HA -0.002 4.022 4.170 -0.243 0.000 0.270 24 I C 2.412 178.573 176.117 0.073 0.000 1.238 24 I CA 1.184 62.508 61.300 0.041 0.000 1.478 24 I CB -1.210 36.825 38.000 0.058 0.000 1.097 24 I HN 0.999 nan 8.210 nan 0.000 0.455 25 T N -3.617 110.978 114.554 0.069 0.000 3.054 25 T HA 0.362 4.567 4.350 -0.243 0.000 0.255 25 T C 1.510 176.295 174.700 0.142 0.000 1.035 25 T CA 0.536 62.694 62.100 0.097 0.000 0.941 25 T CB 0.589 69.504 68.868 0.079 0.000 1.026 25 T HN 0.365 nan 8.240 nan 0.000 0.533 26 G N 1.334 110.217 108.800 0.138 0.000 2.217 26 G HA2 -0.224 3.590 3.960 -0.243 0.000 0.246 26 G HA3 -0.224 3.590 3.960 -0.243 0.000 0.246 26 G C -0.103 174.928 174.900 0.219 0.000 0.990 26 G CA 0.054 45.306 45.100 0.252 0.000 0.627 26 G HN 0.594 nan 8.290 nan 0.000 0.522 27 D N -0.339 120.146 120.400 0.141 0.000 2.346 27 D HA 0.253 4.747 4.640 -0.243 0.000 0.236 27 D C 1.659 178.012 176.300 0.088 0.000 1.259 27 D CA 1.166 55.240 54.000 0.123 0.000 0.898 27 D CB 0.522 41.373 40.800 0.085 0.000 1.178 27 D HN 0.857 nan 8.370 nan 0.000 0.457 28 c N 0.293 118.954 118.600 0.102 0.000 4.252 28 c HA -0.183 4.242 4.570 -0.243 0.000 0.285 28 c C 1.987 176.142 174.090 0.107 0.000 1.466 28 c CA 0.182 56.566 56.329 0.092 0.000 1.946 28 c CB -2.740 39.806 42.510 0.061 0.000 1.366 28 c HN 0.743 nan 8.230 nan 0.000 0.783 29 N N 1.853 120.616 118.700 0.105 0.000 2.106 29 N HA -0.116 4.478 4.740 -0.243 0.000 0.188 29 N C 0.479 176.100 175.510 0.185 0.000 1.029 29 N CA 1.364 54.464 53.050 0.083 0.000 0.848 29 N CB -0.114 38.233 38.487 -0.233 0.000 1.007 29 N HN 0.817 nan 8.380 nan 0.000 0.423 30 N N 0.830 119.677 118.700 0.246 0.000 2.426 30 N HA 0.092 4.687 4.740 -0.243 0.000 0.275 30 N C 0.666 176.286 175.510 0.184 0.000 1.019 30 N CA -0.125 53.087 53.050 0.270 0.000 0.941 30 N CB 1.029 39.684 38.487 0.280 0.000 1.123 30 N HN 0.117 nan 8.380 nan 0.000 0.486 31 R N 2.618 123.215 120.500 0.162 0.000 2.073 31 R HA 0.047 4.241 4.340 -0.243 0.000 0.229 31 R C 1.903 178.264 176.300 0.101 0.000 1.120 31 R CA 1.218 57.384 56.100 0.109 0.000 0.967 31 R CB 0.178 30.527 30.300 0.082 0.000 0.862 31 R HN 0.573 nan 8.270 nan 0.000 0.436 32 R N -0.348 120.220 120.500 0.113 0.000 2.070 32 R HA -0.007 4.188 4.340 -0.243 0.000 0.233 32 R C 0.876 177.233 176.300 0.096 0.000 1.137 32 R CA 1.118 57.274 56.100 0.093 0.000 0.945 32 R CB -0.144 30.210 30.300 0.091 0.000 0.845 32 R HN -0.047 nan 8.270 nan 0.000 0.430 33 S N 0.390 116.159 115.700 0.116 0.000 2.577 33 S HA 0.262 4.586 4.470 -0.243 0.000 0.294 33 S C -2.135 172.546 174.600 0.134 0.000 1.161 33 S CA -2.066 56.205 58.200 0.118 0.000 1.143 33 S CB 1.325 64.600 63.200 0.125 0.000 0.991 33 S HN -0.142 nan 8.310 nan 0.000 0.475 34 P HA -0.146 nan 4.420 nan 0.000 0.211 34 P C 1.446 178.831 177.300 0.142 0.000 1.181 34 P CA 1.883 65.054 63.100 0.119 0.000 0.929 34 P CB 0.062 31.816 31.700 0.089 0.000 0.789 35 A N -1.395 121.498 122.820 0.121 0.000 2.139 35 A HA -0.137 4.037 4.320 -0.243 0.000 0.221 35 A C 0.938 178.613 177.584 0.152 0.000 1.159 35 A CA 0.686 52.797 52.037 0.123 0.000 0.662 35 A CB -1.574 17.480 19.000 0.089 0.000 0.796 35 A HN 0.120 nan 8.150 nan 0.000 0.463 36 L N -0.053 121.276 121.223 0.175 0.000 2.584 36 L HA 0.353 4.548 4.340 -0.243 0.000 0.272 36 L C 1.514 178.535 176.870 0.252 0.000 1.195 36 L CA 1.576 56.526 54.840 0.182 0.000 0.920 36 L CB -0.171 42.005 42.059 0.195 0.000 1.173 36 L HN 0.644 nan 8.230 nan 0.000 0.489 37 G N 2.605 111.449 108.800 0.073 0.000 2.279 37 G HA2 -0.203 3.611 3.960 -0.243 0.000 0.223 37 G HA3 -0.203 3.611 3.960 -0.243 0.000 0.223 37 G C 0.573 175.508 174.900 0.057 0.000 1.015 37 G CA 0.181 45.175 45.100 -0.176 0.000 0.621 37 G HN 1.069 nan 8.290 nan 0.000 0.506 38 A N 0.848 123.788 122.820 0.200 0.000 2.492 38 A HA 0.707 4.882 4.320 -0.243 0.000 0.236 38 A C 1.180 178.822 177.584 0.096 0.000 1.078 38 A CA 1.354 53.495 52.037 0.174 0.000 0.773 38 A CB 0.060 19.146 19.000 0.144 0.000 1.023 38 A HN 2.195 nan 8.150 nan 0.000 0.504 39 A N 1.129 124.006 122.820 0.096 0.000 2.346 39 A HA 0.466 4.640 4.320 -0.243 0.000 0.252 39 A C 0.855 178.461 177.584 0.036 0.000 1.089 39 A CA 0.120 52.195 52.037 0.063 0.000 0.797 39 A CB -0.188 18.856 19.000 0.074 0.000 1.047 39 A HN 1.245 nan 8.150 nan 0.000 0.494 40 N N -0.403 118.303 118.700 0.010 0.000 2.740 40 N HA -0.125 4.469 4.740 -0.243 0.000 0.248 40 N C -0.564 174.940 175.510 -0.010 0.000 1.062 40 N CA 1.027 54.069 53.050 -0.014 0.000 0.704 40 N CB -0.636 37.843 38.487 -0.014 0.000 0.968 40 N HN 0.619 nan 8.380 nan 0.000 0.547 41 R N -0.230 120.268 120.500 -0.003 0.000 2.854 41 R HA 0.684 4.879 4.340 -0.243 0.000 0.271 41 R C 0.163 176.462 176.300 -0.002 0.000 0.994 41 R CA -0.439 55.663 56.100 0.003 0.000 0.945 41 R CB 1.122 31.434 30.300 0.021 0.000 1.194 41 R HN 0.155 nan 8.270 nan 0.000 0.476 42 A N 1.722 124.544 122.820 0.005 0.000 2.492 42 A HA 0.229 4.404 4.320 -0.243 0.000 0.236 42 A C 0.206 177.799 177.584 0.016 0.000 1.078 42 A CA -0.101 51.943 52.037 0.011 0.000 0.773 42 A CB 0.054 19.066 19.000 0.021 0.000 1.023 42 A HN 0.543 nan 8.150 nan 0.000 0.504 43 L N 0.683 121.916 121.223 0.017 0.000 2.436 43 L HA 0.440 4.634 4.340 -0.243 0.000 0.265 43 L C 1.027 177.908 176.870 0.019 0.000 1.168 43 L CA -0.139 54.704 54.840 0.005 0.000 0.815 43 L CB 0.799 42.872 42.059 0.023 0.000 1.109 43 L HN 0.821 nan 8.230 nan 0.000 0.462 44 A N 3.333 126.146 122.820 -0.011 0.000 2.371 44 A HA 0.458 4.633 4.320 -0.243 0.000 0.257 44 A C -0.191 177.398 177.584 0.009 0.000 1.089 44 A CA -0.413 51.648 52.037 0.041 0.000 0.794 44 A CB 0.268 19.309 19.000 0.069 0.000 1.029 44 A HN 0.612 nan 8.150 nan 0.000 0.488 45 R N 1.553 122.126 120.500 0.123 0.000 2.288 45 R HA 0.128 4.322 4.340 -0.243 0.000 0.326 45 R C -0.528 175.935 176.300 0.273 0.000 0.959 45 R CA -0.345 55.839 56.100 0.139 0.000 0.834 45 R CB 0.782 31.175 30.300 0.154 0.000 1.157 45 R HN 0.939 nan 8.270 nan 0.000 0.470 46 W N 2.586 123.938 121.300 0.087 0.000 3.047 46 W HA 0.217 4.730 4.660 -0.244 0.000 0.250 46 W C 0.281 176.776 176.519 -0.039 0.000 1.314 46 W CA 0.148 57.514 57.345 0.035 0.000 1.540 46 W CB -0.089 29.352 29.460 -0.031 0.000 1.127 46 W HN 0.298 nan 8.180 nan 0.000 0.679 47 L N -0.917 120.411 121.223 0.175 0.000 2.622 47 L HA 0.319 4.513 4.340 -0.243 0.000 0.258 47 L C -2.318 174.562 176.870 0.017 0.000 0.996 47 L CA -2.031 52.800 54.840 -0.016 0.000 0.858 47 L CB 1.999 43.864 42.059 -0.322 0.000 1.449 47 L HN -0.510 nan 8.230 nan 0.000 0.411 48 P HA 0.170 nan 4.420 nan 0.000 0.269 48 P C -0.812 176.475 177.300 -0.022 0.000 1.209 48 P CA -0.177 62.928 63.100 0.008 0.000 0.776 48 P CB 0.672 32.373 31.700 0.002 0.000 0.876 49 A N 2.355 125.166 122.820 -0.016 0.000 2.386 49 A HA 0.223 4.397 4.320 -0.243 0.000 0.248 49 A C -0.035 177.448 177.584 -0.169 0.000 1.082 49 A CA -0.138 51.822 52.037 -0.127 0.000 0.789 49 A CB 0.070 18.978 19.000 -0.153 0.000 1.025 49 A HN 0.563 nan 8.150 nan 0.000 0.490 50 E N 0.380 120.416 120.200 -0.273 0.000 2.182 50 E HA 0.449 4.654 4.350 -0.243 0.000 0.258 50 E C -1.791 174.788 176.600 -0.035 0.000 0.879 50 E CA 0.062 56.438 56.400 -0.039 0.000 0.754 50 E CB 1.376 31.113 29.700 0.062 0.000 1.162 50 E HN 0.656 nan 8.360 nan 0.000 0.419 51 Y N 0.475 120.853 120.300 0.130 0.000 2.562 51 Y HA 0.131 4.536 4.550 -0.243 0.000 0.343 51 Y C 1.587 177.128 175.900 -0.598 0.000 1.025 51 Y CA -0.784 57.206 58.100 -0.184 0.000 1.082 51 Y CB 1.742 40.087 38.460 -0.192 0.000 1.264 51 Y HN 0.521 nan 8.280 nan 0.000 0.478 52 E N 0.817 120.595 120.200 -0.703 0.000 2.058 52 E HA -0.248 3.956 4.350 -0.243 0.000 0.194 52 E C 0.865 177.260 176.600 -0.342 0.000 0.997 52 E CA 2.033 57.974 56.400 -0.766 0.000 0.801 52 E CB 0.039 29.437 29.700 -0.504 0.000 0.746 52 E HN 0.822 nan 8.360 nan 0.000 0.450 53 D N -1.937 118.312 120.400 -0.252 0.000 2.363 53 D HA 0.102 4.596 4.640 -0.243 0.000 0.214 53 D C 1.202 177.432 176.300 -0.116 0.000 1.093 53 D CA 0.736 54.631 54.000 -0.174 0.000 0.837 53 D CB 0.615 41.289 40.800 -0.210 0.000 0.948 53 D HN 0.392 nan 8.370 nan 0.000 0.507 54 G N 0.587 109.353 108.800 -0.058 0.000 2.454 54 G HA2 -0.352 3.462 3.960 -0.243 0.000 0.225 54 G HA3 -0.352 3.462 3.960 -0.243 0.000 0.225 54 G C 0.834 175.758 174.900 0.039 0.000 1.138 54 G CA 0.484 45.592 45.100 0.012 0.000 0.667 54 G HN 0.368 nan 8.290 nan 0.000 0.512 55 L N -0.965 120.190 121.223 -0.115 0.000 2.577 55 L HA 0.847 5.042 4.340 -0.243 0.000 0.225 55 L C 2.419 178.908 176.870 -0.635 0.000 1.053 55 L CA 1.876 56.587 54.840 -0.216 0.000 0.866 55 L CB -0.057 41.874 42.059 -0.213 0.000 1.132 55 L HN 0.698 nan 8.230 nan 0.000 0.486 56 A N -1.397 120.904 122.820 -0.864 0.000 1.999 56 A HA 0.408 4.582 4.320 -0.243 0.000 0.190 56 A C 0.302 177.183 177.584 -1.171 0.000 1.737 56 A CA -0.087 51.217 52.037 -1.222 0.000 1.257 56 A CB -0.029 18.505 19.000 -0.776 0.000 1.401 56 A HN 0.048 nan 8.150 nan 0.000 0.430 57 L N 2.738 123.483 121.223 -0.798 0.000 2.453 57 L HA 0.305 4.499 4.340 -0.243 0.000 0.272 57 L C -2.041 174.625 176.870 -0.339 0.000 1.182 57 L CA -1.377 53.035 54.840 -0.712 0.000 0.858 57 L CB 0.397 42.038 42.059 -0.698 0.000 1.120 57 L HN 0.213 nan 8.230 nan 0.000 0.474 58 P HA 0.156 nan 4.420 nan 0.000 0.280 58 P C -0.844 176.450 177.300 -0.010 0.000 1.272 58 P CA -0.567 62.542 63.100 0.015 0.000 0.819 58 P CB 0.609 32.294 31.700 -0.025 0.000 1.122 59 F N 0.270 120.309 119.950 0.148 0.000 2.506 59 F HA 0.401 4.782 4.527 -0.243 0.000 0.371 59 F C 1.668 177.610 175.800 0.236 0.000 1.078 59 F CA 1.568 59.666 58.000 0.164 0.000 1.195 59 F CB -0.348 38.735 39.000 0.138 0.000 1.099 59 F HN 0.662 nan 8.300 nan 0.000 0.548 60 G N 3.675 112.693 108.800 0.363 0.000 2.427 60 G HA2 -0.237 3.577 3.960 -0.243 0.000 0.193 60 G HA3 -0.237 3.577 3.960 -0.243 0.000 0.193 60 G C 0.048 175.214 174.900 0.444 0.000 1.086 60 G CA -0.046 45.269 45.100 0.359 0.000 0.818 60 G HN 0.820 nan 8.290 nan 0.000 0.490 61 W N 0.237 121.600 121.300 0.105 0.000 3.471 61 W HA 0.315 4.829 4.660 -0.243 0.000 0.230 61 W C -0.347 176.195 176.519 0.038 0.000 1.105 61 W CA 1.290 58.665 57.345 0.051 0.000 1.631 61 W CB 0.584 29.941 29.460 -0.172 0.000 0.848 61 W HN 0.210 nan 8.180 nan 0.000 0.766 62 T N 3.309 118.036 114.554 0.288 0.000 2.743 62 T HA 0.124 4.329 4.350 -0.243 0.000 0.292 62 T C 0.868 175.632 174.700 0.107 0.000 0.972 62 T CA -0.235 61.965 62.100 0.167 0.000 0.967 62 T CB 1.930 70.904 68.868 0.176 0.000 0.926 62 T HN -0.146 nan 8.240 nan 0.000 0.459 63 Q N 2.697 122.532 119.800 0.059 0.000 2.152 63 Q HA -0.124 4.070 4.340 -0.243 0.000 0.206 63 Q C 2.310 178.349 176.000 0.065 0.000 0.985 63 Q CA 1.689 57.526 55.803 0.056 0.000 0.863 63 Q CB -0.142 28.611 28.738 0.026 0.000 0.904 63 Q HN 0.608 nan 8.270 nan 0.000 0.422 64 R N 0.499 121.033 120.500 0.057 0.000 2.080 64 R HA -0.049 4.145 4.340 -0.243 0.000 0.236 64 R C 0.541 176.881 176.300 0.067 0.000 1.137 64 R CA 0.709 56.841 56.100 0.053 0.000 0.943 64 R CB -0.439 29.887 30.300 0.042 0.000 0.846 64 R HN 0.019 nan 8.270 nan 0.000 0.431 65 K N 2.333 122.778 120.400 0.075 0.000 2.489 65 K HA -0.004 4.170 4.320 -0.243 0.000 0.278 65 K C 0.534 177.214 176.600 0.134 0.000 1.000 65 K CA 0.563 56.903 56.287 0.088 0.000 1.012 65 K CB 0.676 33.216 32.500 0.068 0.000 0.903 65 K HN 0.321 nan 8.250 nan 0.000 0.485 66 T N -0.476 114.164 114.554 0.143 0.000 2.938 66 T HA 0.484 4.689 4.350 -0.243 0.000 0.285 66 T C -0.125 174.739 174.700 0.274 0.000 1.028 66 T CA -1.022 61.186 62.100 0.180 0.000 1.005 66 T CB 1.791 70.718 68.868 0.098 0.000 1.157 66 T HN 0.523 nan 8.240 nan 0.000 0.550 67 R N 1.013 121.665 120.500 0.252 0.000 2.310 67 R HA 0.312 4.507 4.340 -0.243 0.000 0.316 67 R C -0.415 175.934 176.300 0.081 0.000 1.004 67 R CA -0.352 55.858 56.100 0.182 0.000 0.900 67 R CB -0.316 29.949 30.300 -0.057 0.000 1.152 67 R HN 0.819 nan 8.270 nan 0.000 0.513 68 N N 2.879 121.607 118.700 0.047 0.000 2.776 68 N HA -0.177 4.417 4.740 -0.243 0.000 0.250 68 N C 0.444 175.836 175.510 -0.195 0.000 1.112 68 N CA 1.472 54.506 53.050 -0.027 0.000 0.733 68 N CB -1.053 37.442 38.487 0.013 0.000 1.097 68 N HN 1.032 nan 8.380 nan 0.000 0.558 69 G N -1.777 106.904 108.800 -0.198 0.000 2.176 69 G HA2 -0.269 3.545 3.960 -0.243 0.000 0.232 69 G HA3 -0.269 3.545 3.960 -0.243 0.000 0.232 69 G C -0.072 174.518 174.900 -0.517 0.000 0.986 69 G CA 0.301 45.152 45.100 -0.416 0.000 0.643 69 G HN 0.392 nan 8.290 nan 0.000 0.522 70 F N -0.248 119.741 119.950 0.066 0.000 2.603 70 F HA 0.739 5.120 4.527 -0.243 0.000 0.317 70 F C 0.778 176.626 175.800 0.078 0.000 1.066 70 F CA -1.345 56.692 58.000 0.062 0.000 0.941 70 F CB 1.338 40.371 39.000 0.056 0.000 1.291 70 F HN -0.097 nan 8.300 nan 0.000 0.472 71 R N 0.772 121.444 120.500 0.286 0.000 2.539 71 R HA 0.490 4.685 4.340 -0.243 0.000 0.275 71 R C -0.952 175.443 176.300 0.157 0.000 1.077 71 R CA -0.643 55.568 56.100 0.186 0.000 1.097 71 R CB 1.193 31.567 30.300 0.124 0.000 1.018 71 R HN 0.506 nan 8.270 nan 0.000 0.483 72 V N 1.484 121.492 119.914 0.156 0.000 2.546 72 V HA 0.396 4.370 4.120 -0.243 0.000 0.284 72 V C -1.761 174.343 176.094 0.018 0.000 1.050 72 V CA -1.914 60.455 62.300 0.114 0.000 0.981 72 V CB 0.700 32.640 31.823 0.195 0.000 0.990 72 V HN 0.719 nan 8.190 nan 0.000 0.474 73 P HA 0.251 nan 4.420 nan 0.000 0.270 73 P C -0.135 177.118 177.300 -0.078 0.000 1.223 73 P CA -0.477 62.532 63.100 -0.152 0.000 0.785 73 P CB 0.892 32.386 31.700 -0.343 0.000 0.923 74 L N 1.005 122.194 121.223 -0.057 0.000 2.467 74 L HA 0.058 4.252 4.340 -0.243 0.000 0.270 74 L C 2.026 178.871 176.870 -0.042 0.000 1.205 74 L CA -0.250 54.563 54.840 -0.045 0.000 0.828 74 L CB 0.137 42.174 42.059 -0.036 0.000 1.101 74 L HN 0.490 nan 8.230 nan 0.000 0.479 75 A N 2.553 125.344 122.820 -0.049 0.000 1.845 75 A HA -0.201 3.974 4.320 -0.243 0.000 0.215 75 A C 2.203 179.800 177.584 0.023 0.000 1.195 75 A CA 1.602 53.632 52.037 -0.012 0.000 0.616 75 A CB -0.442 18.520 19.000 -0.065 0.000 0.832 75 A HN 0.852 nan 8.150 nan 0.000 0.443 76 R N 0.388 120.902 120.500 0.023 0.000 2.211 76 R HA -0.160 4.035 4.340 -0.243 0.000 0.240 76 R C 1.794 178.130 176.300 0.060 0.000 1.144 76 R CA 2.065 58.211 56.100 0.076 0.000 0.992 76 R CB -0.538 29.861 30.300 0.166 0.000 0.869 76 R HN 0.739 nan 8.270 nan 0.000 0.462 77 E N -1.077 119.142 120.200 0.031 0.000 2.051 77 E HA -0.073 4.131 4.350 -0.243 0.000 0.189 77 E C 1.716 178.328 176.600 0.019 0.000 0.979 77 E CA 1.056 57.464 56.400 0.013 0.000 0.803 77 E CB 0.101 29.791 29.700 -0.018 0.000 0.761 77 E HN 0.167 nan 8.360 nan 0.000 0.451 78 V N 0.819 120.743 119.914 0.017 0.000 2.380 78 V HA -0.297 3.677 4.120 -0.243 0.000 0.251 78 V C 2.415 178.578 176.094 0.114 0.000 1.063 78 V CA 2.003 64.340 62.300 0.061 0.000 1.055 78 V CB -0.616 31.281 31.823 0.123 0.000 0.657 78 V HN 0.295 nan 8.190 nan 0.000 0.455 79 S N 0.056 115.828 115.700 0.119 0.000 2.348 79 S HA -0.214 4.110 4.470 -0.243 0.000 0.221 79 S C 1.961 176.620 174.600 0.098 0.000 1.033 79 S CA 1.858 60.141 58.200 0.138 0.000 1.010 79 S CB -0.415 62.856 63.200 0.119 0.000 0.891 79 S HN 0.664 nan 8.310 nan 0.000 0.442 80 N N 1.406 120.143 118.700 0.061 0.000 2.043 80 N HA -0.049 4.545 4.740 -0.243 0.000 0.193 80 N C 1.532 177.067 175.510 0.040 0.000 1.037 80 N CA 1.178 54.250 53.050 0.036 0.000 0.851 80 N CB -0.325 38.169 38.487 0.011 0.000 1.027 80 N HN 0.500 nan 8.380 nan 0.000 0.422 81 K N -0.032 120.391 120.400 0.038 0.000 2.459 81 K HA 0.159 4.333 4.320 -0.243 0.000 0.193 81 K C 1.231 177.861 176.600 0.050 0.000 1.030 81 K CA 0.387 56.694 56.287 0.034 0.000 1.026 81 K CB 0.686 33.195 32.500 0.015 0.000 0.809 81 K HN 0.269 nan 8.250 nan 0.000 0.504 82 I N -1.540 119.074 120.570 0.073 0.000 3.990 82 I HA -0.112 3.912 4.170 -0.243 0.000 0.275 82 I C 1.759 177.939 176.117 0.105 0.000 1.157 82 I CA 0.159 61.507 61.300 0.080 0.000 1.338 82 I CB 0.346 38.396 38.000 0.083 0.000 1.588 82 I HN -0.257 nan 8.210 nan 0.000 0.441 83 V N 1.406 121.403 119.914 0.140 0.000 2.229 83 V HA -0.029 3.945 4.120 -0.243 0.000 0.243 83 V C 1.594 177.813 176.094 0.207 0.000 1.042 83 V CA 1.461 63.871 62.300 0.184 0.000 1.000 83 V CB -1.475 30.503 31.823 0.258 0.000 0.637 83 V HN 0.441 nan 8.190 nan 0.000 0.446 84 G N -0.052 108.838 108.800 0.151 0.000 2.647 84 G HA2 0.242 4.057 3.960 -0.243 0.000 0.234 84 G HA3 0.242 4.057 3.960 -0.243 0.000 0.234 84 G C -0.722 174.285 174.900 0.178 0.000 1.252 84 G CA 0.815 45.971 45.100 0.094 0.000 0.846 84 G HN 0.749 nan 8.290 nan 0.000 0.589 85 Y N -1.622 118.709 120.300 0.052 0.000 2.641 85 Y HA 0.526 4.930 4.550 -0.243 0.000 0.333 85 Y C -0.152 175.772 175.900 0.040 0.000 1.174 85 Y CA -1.252 56.873 58.100 0.042 0.000 1.057 85 Y CB 0.643 39.130 38.460 0.044 0.000 1.322 85 Y HN 0.294 nan 8.280 nan 0.000 0.457 86 L N 0.237 121.592 121.223 0.219 0.000 2.262 86 L HA 0.187 4.381 4.340 -0.243 0.000 0.197 86 L C 0.154 177.146 176.870 0.203 0.000 1.073 86 L CA 0.431 55.336 54.840 0.107 0.000 0.800 86 L CB 0.144 42.251 42.059 0.080 0.000 0.987 86 L HN 0.667 nan 8.230 nan 0.000 0.470 87 D N 0.900 121.474 120.400 0.289 0.000 2.344 87 D HA -0.017 4.477 4.640 -0.243 0.000 0.253 87 D C 0.835 177.309 176.300 0.290 0.000 1.255 87 D CA 0.246 54.379 54.000 0.222 0.000 0.894 87 D CB 0.931 41.807 40.800 0.127 0.000 1.067 87 D HN 0.067 nan 8.370 nan 0.000 0.492 88 E N 2.391 122.744 120.200 0.256 0.000 2.482 88 E HA -0.057 4.148 4.350 -0.243 0.000 0.196 88 E C 0.394 177.071 176.600 0.128 0.000 1.047 88 E CA 0.180 56.732 56.400 0.253 0.000 0.869 88 E CB 0.218 30.037 29.700 0.198 0.000 0.836 88 E HN 0.637 nan 8.360 nan 0.000 0.520 89 E N 0.100 120.354 120.200 0.089 0.000 2.422 89 E HA 0.121 4.325 4.350 -0.243 0.000 0.260 89 E C 0.363 176.979 176.600 0.027 0.000 1.108 89 E CA 0.389 56.822 56.400 0.053 0.000 0.943 89 E CB 0.361 30.087 29.700 0.044 0.000 0.961 89 E HN 0.208 nan 8.360 nan 0.000 0.443 90 G N 1.898 110.711 108.800 0.022 0.000 2.424 90 G HA2 -0.245 3.569 3.960 -0.243 0.000 0.294 90 G HA3 -0.245 3.569 3.960 -0.243 0.000 0.294 90 G C 0.306 175.199 174.900 -0.011 0.000 0.939 90 G CA 0.587 45.691 45.100 0.007 0.000 1.143 90 G HN 0.386 nan 8.290 nan 0.000 0.507 91 V N 0.077 119.994 119.914 0.005 0.000 3.432 91 V HA 0.342 4.316 4.120 -0.243 0.000 0.298 91 V C 1.118 177.230 176.094 0.030 0.000 1.464 91 V CA 0.091 62.385 62.300 -0.011 0.000 1.046 91 V CB 0.109 31.925 31.823 -0.012 0.000 0.887 91 V HN 0.428 nan 8.190 nan 0.000 0.441 92 L N 0.844 122.094 121.223 0.044 0.000 2.334 92 L HA 0.486 4.680 4.340 -0.243 0.000 0.277 92 L C 0.092 176.990 176.870 0.048 0.000 1.075 92 L CA -0.455 54.422 54.840 0.061 0.000 0.804 92 L CB 0.720 42.820 42.059 0.067 0.000 1.174 92 L HN 0.037 nan 8.230 nan 0.000 0.438 93 D N 2.360 122.795 120.400 0.060 0.000 2.389 93 D HA -0.057 4.438 4.640 -0.243 0.000 0.263 93 D C 0.808 177.119 176.300 0.018 0.000 1.255 93 D CA 0.106 54.125 54.000 0.033 0.000 0.914 93 D CB 1.172 41.994 40.800 0.037 0.000 1.116 93 D HN 0.455 nan 8.370 nan 0.000 0.502 94 Q N 2.484 122.287 119.800 0.004 0.000 2.439 94 Q HA -0.132 4.062 4.340 -0.243 0.000 0.211 94 Q C 0.536 176.532 176.000 -0.007 0.000 0.978 94 Q CA 0.809 56.615 55.803 0.004 0.000 0.897 94 Q CB 0.023 28.761 28.738 -0.001 0.000 0.956 94 Q HN 0.405 nan 8.270 nan 0.000 0.483 95 N N 0.320 119.001 118.700 -0.031 0.000 2.588 95 N HA 0.075 4.669 4.740 -0.243 0.000 0.298 95 N C -1.337 174.115 175.510 -0.096 0.000 1.718 95 N CA -0.081 52.938 53.050 -0.051 0.000 0.888 95 N CB 0.480 38.931 38.487 -0.060 0.000 1.389 95 N HN -0.159 nan 8.380 nan 0.000 0.491 96 R N 0.021 120.480 120.500 -0.067 0.000 2.535 96 R HA 0.340 4.534 4.340 -0.243 0.000 0.274 96 R C -0.445 175.898 176.300 0.073 0.000 1.090 96 R CA -0.497 55.550 56.100 -0.088 0.000 0.930 96 R CB 1.241 31.366 30.300 -0.292 0.000 1.223 96 R HN 0.328 nan 8.270 nan 0.000 0.441 97 S N 1.538 117.317 115.700 0.133 0.000 2.655 97 S HA 0.272 4.597 4.470 -0.243 0.000 0.265 97 S C 1.378 176.105 174.600 0.212 0.000 1.240 97 S CA -0.830 57.456 58.200 0.143 0.000 0.986 97 S CB 0.817 64.073 63.200 0.095 0.000 0.985 97 S HN 0.651 nan 8.310 nan 0.000 0.562 98 L N 0.108 121.428 121.223 0.161 0.000 2.131 98 L HA -0.057 4.137 4.340 -0.243 0.000 0.210 98 L C 2.293 179.262 176.870 0.166 0.000 1.092 98 L CA 1.118 56.053 54.840 0.159 0.000 0.759 98 L CB -0.570 41.555 42.059 0.110 0.000 0.903 98 L HN 0.788 nan 8.230 nan 0.000 0.435 99 L N -0.321 120.977 121.223 0.125 0.000 2.079 99 L HA -0.280 3.914 4.340 -0.243 0.000 0.210 99 L C 2.243 179.274 176.870 0.269 0.000 1.081 99 L CA 1.839 56.714 54.840 0.058 0.000 0.752 99 L CB -0.926 41.022 42.059 -0.184 0.000 0.896 99 L HN 0.269 nan 8.230 nan 0.000 0.433 100 F N -0.477 119.650 119.950 0.295 0.000 2.161 100 F HA -0.276 4.104 4.527 -0.244 0.000 0.300 100 F C 2.363 178.402 175.800 0.398 0.000 1.089 100 F CA 2.230 60.544 58.000 0.522 0.000 1.282 100 F CB -0.368 38.858 39.000 0.376 0.000 1.010 100 F HN 0.248 nan 8.300 nan 0.000 0.485 101 M N 0.211 119.871 119.600 0.100 0.000 2.156 101 M HA -0.152 4.183 4.480 -0.243 0.000 0.264 101 M C 2.162 178.408 176.300 -0.091 0.000 1.067 101 M CA 1.792 57.043 55.300 -0.082 0.000 1.131 101 M CB -0.827 31.806 32.600 0.055 0.000 1.368 101 M HN 0.366 nan 8.290 nan 0.000 0.416 102 Q N 0.104 119.902 119.800 -0.003 0.000 2.046 102 Q HA -0.207 3.987 4.340 -0.243 0.000 0.200 102 Q C 1.960 177.898 176.000 -0.104 0.000 0.975 102 Q CA 2.329 58.099 55.803 -0.054 0.000 0.836 102 Q CB -0.964 27.769 28.738 -0.008 0.000 0.896 102 Q HN 0.684 nan 8.270 nan 0.000 0.428 103 W N 0.445 121.646 121.300 -0.166 0.000 2.325 103 W HA -0.164 4.342 4.660 -0.257 0.000 0.299 103 W C 1.624 177.886 176.519 -0.428 0.000 1.215 103 W CA 1.755 58.953 57.345 -0.246 0.000 1.244 103 W CB -0.521 28.866 29.460 -0.121 0.000 1.140 103 W HN 0.356 nan 8.180 nan 0.000 0.523 104 G N 0.040 108.603 108.800 -0.396 0.000 2.418 104 G HA2 -0.335 3.479 3.960 -0.243 0.000 0.217 104 G HA3 -0.335 3.479 3.960 -0.243 0.000 0.217 104 G C 1.445 176.011 174.900 -0.556 0.000 1.158 104 G CA 0.913 45.720 45.100 -0.488 0.000 0.771 104 G HN 0.327 nan 8.290 nan 0.000 0.545 105 Q N -0.301 119.192 119.800 -0.512 0.000 2.135 105 Q HA -0.080 4.114 4.340 -0.243 0.000 0.204 105 Q C 2.646 178.261 176.000 -0.641 0.000 0.981 105 Q CA 1.027 56.480 55.803 -0.583 0.000 0.856 105 Q CB -0.169 28.291 28.738 -0.463 0.000 0.902 105 Q HN 0.566 nan 8.270 nan 0.000 0.425 106 I N -0.491 119.739 120.570 -0.566 0.000 2.179 106 I HA -0.298 3.726 4.170 -0.243 0.000 0.242 106 I C 2.264 178.148 176.117 -0.388 0.000 1.088 106 I CA 0.879 61.850 61.300 -0.549 0.000 1.357 106 I CB -0.187 37.315 38.000 -0.830 0.000 1.051 106 I HN 0.031 nan 8.210 nan 0.000 0.409 107 V N 0.566 120.252 119.914 -0.380 0.000 2.270 107 V HA -0.325 3.650 4.120 -0.243 0.000 0.245 107 V C 2.327 178.580 176.094 0.265 0.000 1.043 107 V CA 2.249 64.553 62.300 0.007 0.000 1.014 107 V CB -0.709 31.210 31.823 0.161 0.000 0.645 107 V HN 0.567 nan 8.190 nan 0.000 0.447 108 D N -0.911 119.727 120.400 0.396 0.000 2.271 108 D HA -0.260 4.234 4.640 -0.243 0.000 0.207 108 D C 1.839 178.306 176.300 0.278 0.000 0.983 108 D CA 1.748 56.034 54.000 0.478 0.000 0.878 108 D CB -0.114 40.731 40.800 0.075 0.000 0.920 108 D HN 0.711 nan 8.370 nan 0.000 0.479 109 H N -0.914 118.177 119.070 0.034 0.000 2.448 109 H HA -0.045 4.364 4.556 -0.245 0.000 0.292 109 H C 1.718 177.053 175.328 0.012 0.000 1.035 109 H CA 0.601 56.636 56.048 -0.022 0.000 1.349 109 H CB 0.401 30.116 29.762 -0.078 0.000 1.425 109 H HN 0.107 nan 8.280 nan 0.000 0.539 110 D N 0.790 121.295 120.400 0.175 0.000 2.224 110 D HA -0.087 4.407 4.640 -0.243 0.000 0.205 110 D C 1.838 178.232 176.300 0.156 0.000 0.965 110 D CA 0.686 54.772 54.000 0.143 0.000 0.852 110 D CB 0.351 41.229 40.800 0.129 0.000 0.947 110 D HN 0.364 nan 8.370 nan 0.000 0.494 111 L N 0.046 121.371 121.223 0.171 0.000 2.357 111 L HA 0.164 4.358 4.340 -0.243 0.000 0.211 111 L C 0.583 177.512 176.870 0.098 0.000 1.075 111 L CA 0.363 55.272 54.840 0.116 0.000 0.830 111 L CB 0.119 42.231 42.059 0.088 0.000 0.996 111 L HN -0.030 nan 8.230 nan 0.000 0.467 112 D N -1.585 118.905 120.400 0.151 0.000 2.596 112 D HA 0.408 4.903 4.640 -0.243 0.000 0.234 112 D C -1.421 175.015 176.300 0.228 0.000 1.181 112 D CA -0.420 53.667 54.000 0.146 0.000 0.856 112 D CB 3.149 44.026 40.800 0.127 0.000 1.498 112 D HN -0.243 nan 8.370 nan 0.000 0.446 113 F N 0.504 120.433 119.950 -0.035 0.000 2.683 113 F HA 0.494 4.876 4.527 -0.241 0.000 0.333 113 F C -1.846 173.910 175.800 -0.074 0.000 1.160 113 F CA -0.929 57.025 58.000 -0.077 0.000 1.099 113 F CB 1.642 40.560 39.000 -0.137 0.000 1.344 113 F HN 0.626 nan 8.300 nan 0.000 0.534 114 A N 7.337 129.999 122.820 -0.262 0.000 2.316 114 A HA 0.789 4.963 4.320 -0.243 0.000 0.324 114 A C -2.829 174.353 177.584 -0.670 0.000 1.375 114 A CA -1.519 50.310 52.037 -0.346 0.000 0.882 114 A CB 0.165 19.147 19.000 -0.030 0.000 1.152 114 A HN 0.351 nan 8.150 nan 0.000 0.512 115 P HA 0.253 nan 4.420 nan 0.000 0.275 115 P C 0.015 177.097 177.300 -0.363 0.000 1.227 115 P CA -0.099 62.547 63.100 -0.756 0.000 0.781 115 P CB 0.731 32.038 31.700 -0.655 0.000 0.906 116 E N 0.254 120.304 120.200 -0.250 0.000 2.397 116 E HA 0.168 4.372 4.350 -0.243 0.000 0.254 116 E C 0.218 176.726 176.600 -0.154 0.000 1.231 116 E CA -0.209 56.100 56.400 -0.151 0.000 0.954 116 E CB 0.196 29.833 29.700 -0.106 0.000 1.024 116 E HN 0.460 nan 8.360 nan 0.000 0.481 117 T N -0.851 113.643 114.554 -0.100 0.000 2.849 117 T HA 0.169 4.373 4.350 -0.243 0.000 0.284 117 T C 0.635 175.233 174.700 -0.170 0.000 1.004 117 T CA -0.666 61.364 62.100 -0.118 0.000 1.021 117 T CB 1.302 70.152 68.868 -0.030 0.000 1.013 117 T HN 0.702 nan 8.240 nan 0.000 0.527 118 E N -0.335 119.758 120.200 -0.178 0.000 2.703 118 E HA 0.082 4.287 4.350 -0.243 0.000 0.214 118 E C -0.154 176.336 176.600 -0.184 0.000 0.944 118 E CA -0.185 56.085 56.400 -0.216 0.000 1.299 118 E CB 0.164 29.752 29.700 -0.187 0.000 1.189 118 E HN 0.606 nan 8.360 nan 0.000 0.597 119 L N -0.282 120.857 121.223 -0.140 0.000 2.574 119 L HA 0.532 4.726 4.340 -0.243 0.000 0.281 119 L C 0.582 177.386 176.870 -0.111 0.000 1.212 119 L CA 1.071 55.843 54.840 -0.113 0.000 1.082 119 L CB 0.515 42.522 42.059 -0.087 0.000 1.362 119 L HN 0.108 nan 8.230 nan 0.000 0.451 120 G N 0.445 109.164 108.800 -0.135 0.000 4.406 120 G HA2 0.027 3.842 3.960 -0.243 0.000 0.212 120 G HA3 0.027 3.842 3.960 -0.243 0.000 0.212 120 G C 0.074 174.882 174.900 -0.154 0.000 0.941 120 G CA -0.236 44.782 45.100 -0.136 0.000 0.821 120 G HN 0.477 nan 8.290 nan 0.000 0.429 121 S N 1.489 117.103 115.700 -0.143 0.000 2.552 121 S HA 0.226 4.550 4.470 -0.243 0.000 0.289 121 S C 1.057 175.580 174.600 -0.130 0.000 1.304 121 S CA 0.146 58.267 58.200 -0.132 0.000 1.063 121 S CB 0.531 63.665 63.200 -0.110 0.000 0.848 121 S HN 0.435 nan 8.310 nan 0.000 0.499 122 N N 1.300 119.925 118.700 -0.126 0.000 2.735 122 N HA -0.161 4.433 4.740 -0.243 0.000 0.248 122 N C -0.269 175.102 175.510 -0.231 0.000 1.083 122 N CA 1.041 54.015 53.050 -0.127 0.000 0.703 122 N CB -0.520 37.915 38.487 -0.087 0.000 1.005 122 N HN 0.818 nan 8.380 nan 0.000 0.550 123 E N -1.202 118.814 120.200 -0.305 0.000 2.433 123 E HA 0.261 4.466 4.350 -0.243 0.000 0.273 123 E C -0.623 175.664 176.600 -0.521 0.000 0.950 123 E CA -0.517 55.559 56.400 -0.540 0.000 0.796 123 E CB 0.892 30.417 29.700 -0.293 0.000 1.330 123 E HN 0.378 nan 8.360 nan 0.000 0.455 124 H N 0.153 119.227 119.070 0.008 0.000 2.591 124 H HA 0.220 4.630 4.556 -0.243 0.000 0.302 124 H C 0.655 176.017 175.328 0.057 0.000 1.163 124 H CA -0.156 55.913 56.048 0.034 0.000 1.049 124 H CB 0.533 30.315 29.762 0.033 0.000 1.543 124 H HN 0.103 nan 8.280 nan 0.000 0.523 125 S N 0.516 116.237 115.700 0.035 0.000 2.517 125 S HA -0.039 4.285 4.470 -0.243 0.000 0.214 125 S C 2.001 176.679 174.600 0.130 0.000 0.991 125 S CA 0.209 58.456 58.200 0.078 0.000 0.906 125 S CB 0.206 63.410 63.200 0.008 0.000 0.789 125 S HN 0.633 nan 8.310 nan 0.000 0.513 126 K N -0.219 120.222 120.400 0.069 0.000 2.323 126 K HA 0.149 4.324 4.320 -0.243 0.000 0.197 126 K C 1.352 178.047 176.600 0.157 0.000 1.043 126 K CA 1.014 57.355 56.287 0.090 0.000 0.997 126 K CB -0.152 32.305 32.500 -0.071 0.000 0.807 126 K HN 0.115 nan 8.250 nan 0.000 0.497 127 T N 0.567 115.221 114.554 0.166 0.000 3.033 127 T HA -0.049 4.155 4.350 -0.243 0.000 0.248 127 T C 1.501 176.388 174.700 0.312 0.000 1.040 127 T CA 0.626 62.849 62.100 0.205 0.000 1.133 127 T CB 0.124 69.129 68.868 0.228 0.000 0.895 127 T HN 0.245 nan 8.240 nan 0.000 0.465 128 Q N -0.076 119.901 119.800 0.295 0.000 2.437 128 Q HA -0.004 4.191 4.340 -0.243 0.000 0.210 128 Q C 2.022 178.185 176.000 0.271 0.000 0.972 128 Q CA 0.865 56.842 55.803 0.290 0.000 0.903 128 Q CB -0.417 28.420 28.738 0.165 0.000 0.967 128 Q HN 0.507 nan 8.270 nan 0.000 0.486 129 c N -1.190 117.570 118.600 0.266 0.000 2.406 129 c HA 0.156 4.581 4.570 -0.243 0.000 0.343 129 c C 2.372 176.555 174.090 0.155 0.000 1.397 129 c CA 0.563 57.025 56.329 0.220 0.000 2.069 129 c CB -0.245 42.471 42.510 0.344 0.000 2.374 129 c HN 0.774 nan 8.230 nan 0.000 0.545 130 E N 1.009 121.330 120.200 0.202 0.000 2.028 130 E HA -0.183 4.021 4.350 -0.243 0.000 0.190 130 E C 1.806 178.431 176.600 0.041 0.000 0.984 130 E CA 1.857 58.355 56.400 0.164 0.000 0.800 130 E CB -0.310 29.526 29.700 0.227 0.000 0.758 130 E HN 0.653 nan 8.360 nan 0.000 0.448 131 E N -0.849 119.344 120.200 -0.011 0.000 2.028 131 E HA -0.122 4.082 4.350 -0.243 0.000 0.190 131 E C 1.442 177.821 176.600 -0.369 0.000 0.984 131 E CA 1.430 57.679 56.400 -0.253 0.000 0.800 131 E CB -0.059 29.375 29.700 -0.444 0.000 0.758 131 E HN 0.427 nan 8.360 nan 0.000 0.448 132 Y N -1.544 118.772 120.300 0.028 0.000 2.457 132 Y HA 0.165 4.569 4.550 -0.243 0.000 0.263 132 Y C 0.603 176.497 175.900 -0.010 0.000 1.164 132 Y CA -0.298 57.808 58.100 0.011 0.000 1.274 132 Y CB 0.127 38.597 38.460 0.017 0.000 1.097 132 Y HN 0.005 nan 8.280 nan 0.000 0.523 133 c N 1.697 120.347 118.600 0.083 0.000 4.114 133 c HA -0.238 4.186 4.570 -0.243 0.000 0.300 133 c C 0.233 174.327 174.090 0.007 0.000 1.423 133 c CA -0.559 55.773 56.329 0.004 0.000 2.034 133 c CB -3.169 39.302 42.510 -0.065 0.000 1.299 133 c HN 0.304 nan 8.230 nan 0.000 0.727 134 I N 0.837 121.438 120.570 0.052 0.000 2.307 134 I HA 0.283 4.307 4.170 -0.243 0.000 0.289 134 I C 0.547 176.657 176.117 -0.011 0.000 1.021 134 I CA 0.306 61.613 61.300 0.011 0.000 1.224 134 I CB 0.765 38.783 38.000 0.030 0.000 1.376 134 I HN 0.410 nan 8.210 nan 0.000 0.470 135 Q N 4.973 124.713 119.800 -0.100 0.000 2.469 135 Q HA 0.414 4.609 4.340 -0.243 0.000 0.279 135 Q C 0.016 175.944 176.000 -0.120 0.000 1.097 135 Q CA 0.645 56.329 55.803 -0.198 0.000 0.951 135 Q CB 0.650 29.101 28.738 -0.478 0.000 1.297 135 Q HN 0.922 nan 8.270 nan 0.000 0.465 136 G N 2.239 111.031 108.800 -0.014 0.000 2.277 136 G HA2 0.174 3.988 3.960 -0.243 0.000 0.272 136 G HA3 0.174 3.988 3.960 -0.243 0.000 0.272 136 G C -1.123 174.008 174.900 0.385 0.000 1.692 136 G CA -0.303 44.934 45.100 0.228 0.000 0.926 136 G HN 0.840 nan 8.290 nan 0.000 0.720 137 D N 0.648 121.300 120.400 0.420 0.000 3.845 137 D HA -0.243 4.252 4.640 -0.243 0.000 0.144 137 D C 0.980 177.484 176.300 0.340 0.000 0.889 137 D CA 1.346 55.513 54.000 0.279 0.000 1.096 137 D CB -0.624 40.293 40.800 0.195 0.000 0.515 137 D HN 0.532 nan 8.370 nan 0.000 0.525 138 N N 0.249 119.133 118.700 0.307 0.000 2.270 138 N HA 0.106 4.700 4.740 -0.243 0.000 0.198 138 N C 0.062 175.880 175.510 0.514 0.000 1.117 138 N CA 0.068 53.330 53.050 0.354 0.000 0.845 138 N CB 0.387 39.029 38.487 0.258 0.000 0.980 138 N HN 0.314 nan 8.380 nan 0.000 0.486 139 c N 1.537 120.439 118.600 0.503 0.000 2.246 139 c HA 0.415 4.839 4.570 -0.243 0.000 0.329 139 c C -0.370 173.993 174.090 0.454 0.000 1.221 139 c CA -0.677 55.916 56.329 0.439 0.000 1.697 139 c CB -1.680 41.031 42.510 0.336 0.000 2.312 139 c HN 0.227 nan 8.230 nan 0.000 0.509 140 F N 9.402 129.540 119.950 0.313 0.000 2.550 140 F HA 0.500 4.881 4.527 -0.243 0.000 0.348 140 F C -2.454 173.378 175.800 0.054 0.000 1.219 140 F CA -3.238 54.914 58.000 0.253 0.000 1.203 140 F CB 0.482 39.793 39.000 0.519 0.000 1.436 140 F HN 0.450 nan 8.300 nan 0.000 0.541 141 P HA 0.086 nan 4.420 nan 0.000 0.267 141 P C -0.162 176.846 177.300 -0.486 0.000 1.200 141 P CA 0.294 63.233 63.100 -0.268 0.000 0.772 141 P CB 0.888 32.467 31.700 -0.201 0.000 0.855 142 I N 3.297 123.606 120.570 -0.436 0.000 2.306 142 I HA 0.182 4.206 4.170 -0.243 0.000 0.288 142 I C 0.335 176.175 176.117 -0.461 0.000 1.036 142 I CA -0.493 60.538 61.300 -0.449 0.000 1.221 142 I CB 0.423 38.227 38.000 -0.328 0.000 1.385 142 I HN 0.123 nan 8.210 nan 0.000 0.472 143 M N 6.436 125.816 119.600 -0.365 0.000 2.211 143 M HA 0.355 4.690 4.480 -0.243 0.000 0.356 143 M C -0.278 175.905 176.300 -0.196 0.000 1.216 143 M CA -0.064 55.041 55.300 -0.326 0.000 1.134 143 M CB 0.254 32.741 32.600 -0.188 0.000 1.564 143 M HN 0.247 nan 8.290 nan 0.000 0.463 144 F N 4.414 124.318 119.950 -0.076 0.000 2.399 144 F HA 0.317 4.698 4.527 -0.243 0.000 0.342 144 F C -1.238 174.530 175.800 -0.053 0.000 1.106 144 F CA -1.465 56.496 58.000 -0.064 0.000 1.196 144 F CB 0.597 39.560 39.000 -0.060 0.000 1.163 144 F HN 0.421 nan 8.300 nan 0.000 0.547 145 P HA 0.175 nan 4.420 nan 0.000 0.302 145 P C -1.579 175.750 177.300 0.047 0.000 1.307 145 P CA -0.719 62.420 63.100 0.066 0.000 0.754 145 P CB 0.919 32.642 31.700 0.038 0.000 1.298 146 K N -0.496 119.916 120.400 0.020 0.000 2.144 146 K HA 0.266 4.440 4.320 -0.243 0.000 0.270 146 K C -0.140 176.456 176.600 -0.006 0.000 1.005 146 K CA -0.371 55.921 56.287 0.008 0.000 0.932 146 K CB -0.006 32.497 32.500 0.005 0.000 1.021 146 K HN 0.491 nan 8.250 nan 0.000 0.462 147 N N 0.198 118.888 118.700 -0.016 0.000 2.869 147 N HA -0.174 4.421 4.740 -0.243 0.000 0.249 147 N C -1.634 173.849 175.510 -0.045 0.000 1.104 147 N CA 0.841 53.876 53.050 -0.026 0.000 0.760 147 N CB -0.687 37.789 38.487 -0.018 0.000 1.108 147 N HN 0.774 nan 8.380 nan 0.000 0.555 148 D N -0.306 120.055 120.400 -0.065 0.000 2.381 148 D HA 0.226 4.720 4.640 -0.243 0.000 0.235 148 D C -1.679 174.516 176.300 -0.174 0.000 1.068 148 D CA -2.150 51.773 54.000 -0.128 0.000 0.832 148 D CB 1.569 42.271 40.800 -0.164 0.000 1.101 148 D HN -0.135 nan 8.370 nan 0.000 0.515 149 P HA -0.173 nan 4.420 nan 0.000 0.216 149 P C 1.169 178.334 177.300 -0.224 0.000 1.157 149 P CA 1.338 64.343 63.100 -0.158 0.000 0.880 149 P CB 0.341 31.961 31.700 -0.133 0.000 0.791 150 K N -0.824 119.348 120.400 -0.380 0.000 2.218 150 K HA -0.149 4.026 4.320 -0.243 0.000 0.205 150 K C 2.106 178.456 176.600 -0.417 0.000 1.046 150 K CA 0.963 56.937 56.287 -0.521 0.000 0.933 150 K CB -0.832 31.032 32.500 -1.059 0.000 0.728 150 K HN 0.244 nan 8.250 nan 0.000 0.454 151 L N 1.424 122.437 121.223 -0.349 0.000 1.994 151 L HA -0.224 3.970 4.340 -0.243 0.000 0.208 151 L C 2.064 178.908 176.870 -0.044 0.000 1.071 151 L CA 1.584 56.374 54.840 -0.084 0.000 0.745 151 L CB -0.169 41.864 42.059 -0.042 0.000 0.892 151 L HN 0.142 nan 8.230 nan 0.000 0.431 152 K N -1.771 118.586 120.400 -0.072 0.000 2.442 152 K HA -0.121 4.053 4.320 -0.243 0.000 0.198 152 K C 1.438 178.013 176.600 -0.042 0.000 1.044 152 K CA 1.279 57.538 56.287 -0.047 0.000 0.948 152 K CB 0.021 32.491 32.500 -0.051 0.000 0.762 152 K HN 0.272 nan 8.250 nan 0.000 0.472 153 T N -0.965 113.553 114.554 -0.060 0.000 2.993 153 T HA 0.092 4.296 4.350 -0.243 0.000 0.260 153 T C 1.149 175.834 174.700 -0.025 0.000 0.939 153 T CA 0.014 62.088 62.100 -0.044 0.000 0.886 153 T CB 0.520 69.353 68.868 -0.059 0.000 1.209 153 T HN 0.063 nan 8.240 nan 0.000 0.518 154 Q N -0.447 119.347 119.800 -0.010 0.000 2.369 154 Q HA 0.479 4.674 4.340 -0.243 0.000 0.254 154 Q C 0.848 176.903 176.000 0.092 0.000 0.858 154 Q CA 0.310 56.137 55.803 0.040 0.000 0.961 154 Q CB 1.611 30.382 28.738 0.054 0.000 1.119 154 Q HN 0.501 nan 8.270 nan 0.000 0.538 155 G N -0.071 108.813 108.800 0.140 0.000 2.278 155 G HA2 -0.104 3.710 3.960 -0.243 0.000 0.265 155 G HA3 -0.104 3.710 3.960 -0.243 0.000 0.265 155 G C -0.651 174.359 174.900 0.184 0.000 1.329 155 G CA -0.553 44.609 45.100 0.104 0.000 1.017 155 G HN -0.152 nan 8.290 nan 0.000 0.472 156 K N -0.627 119.800 120.400 0.045 0.000 2.314 156 K HA 0.270 4.444 4.320 -0.243 0.000 0.198 156 K C 1.020 177.459 176.600 -0.269 0.000 1.045 156 K CA 1.467 57.754 56.287 -0.001 0.000 0.988 156 K CB -0.251 32.224 32.500 -0.041 0.000 0.783 156 K HN 1.222 nan 8.250 nan 0.000 0.484 157 c N -2.266 116.037 118.600 -0.495 0.000 3.314 157 c HA 0.633 5.057 4.570 -0.243 0.000 0.344 157 c C -1.075 172.548 174.090 -0.778 0.000 1.461 157 c CA -1.306 54.456 56.329 -0.944 0.000 1.249 157 c CB 0.939 43.155 42.510 -0.491 0.000 1.632 157 c HN 0.074 nan 8.230 nan 0.000 0.452 158 M N 3.136 122.340 119.600 -0.660 0.000 2.294 158 M HA 0.495 4.829 4.480 -0.243 0.000 0.335 158 M C -2.405 173.830 176.300 -0.108 0.000 1.079 158 M CA -1.473 53.682 55.300 -0.242 0.000 0.982 158 M CB 2.283 34.852 32.600 -0.051 0.000 1.651 158 M HN 0.622 nan 8.290 nan 0.000 0.437 159 P HA 0.251 nan 4.420 nan 0.000 0.274 159 P C -1.438 175.737 177.300 -0.208 0.000 1.231 159 P CA 0.025 63.051 63.100 -0.124 0.000 0.790 159 P CB 0.764 32.485 31.700 0.035 0.000 0.951 160 F N 2.200 121.761 119.950 -0.649 0.000 2.635 160 F HA 0.551 4.932 4.527 -0.243 0.000 0.314 160 F C -2.078 173.340 175.800 -0.636 0.000 1.119 160 F CA -0.968 56.712 58.000 -0.534 0.000 1.000 160 F CB 1.143 39.971 39.000 -0.286 0.000 1.278 160 F HN 0.091 nan 8.300 nan 0.000 0.446 161 F N 4.147 123.764 119.950 -0.555 0.000 2.522 161 F HA 0.630 5.011 4.527 -0.243 0.000 0.324 161 F C 0.286 175.759 175.800 -0.544 0.000 1.077 161 F CA -1.031 56.794 58.000 -0.293 0.000 0.944 161 F CB 1.667 40.582 39.000 -0.143 0.000 1.175 161 F HN 0.323 nan 8.300 nan 0.000 0.468 162 R N 1.254 121.870 120.500 0.194 0.000 2.643 162 R HA 0.478 4.672 4.340 -0.243 0.000 0.270 162 R C -0.086 176.276 176.300 0.103 0.000 1.061 162 R CA -0.449 55.795 56.100 0.240 0.000 1.107 162 R CB 0.483 30.980 30.300 0.327 0.000 0.999 162 R HN 0.759 nan 8.270 nan 0.000 0.460 163 A N 1.755 124.645 122.820 0.118 0.000 2.407 163 A HA 0.345 4.519 4.320 -0.243 0.000 0.248 163 A C 0.629 178.230 177.584 0.028 0.000 1.082 163 A CA -0.003 52.055 52.037 0.034 0.000 0.785 163 A CB 0.346 19.387 19.000 0.069 0.000 1.020 163 A HN 0.791 nan 8.150 nan 0.000 0.489 164 G N 0.158 108.916 108.800 -0.070 0.000 2.554 164 G HA2 0.447 4.261 3.960 -0.243 0.000 0.238 164 G HA3 0.447 4.261 3.960 -0.243 0.000 0.238 164 G C -0.259 174.609 174.900 -0.053 0.000 1.259 164 G CA 0.113 45.139 45.100 -0.124 0.000 0.843 164 G HN 1.070 nan 8.290 nan 0.000 0.582 165 F N 0.157 120.048 119.950 -0.098 0.000 2.631 165 F HA 0.737 5.118 4.527 -0.243 0.000 0.328 165 F C 0.215 175.979 175.800 -0.060 0.000 1.067 165 F CA -1.666 56.280 58.000 -0.089 0.000 0.969 165 F CB 0.641 39.588 39.000 -0.088 0.000 1.332 165 F HN 0.552 nan 8.300 nan 0.000 0.490 166 V N -1.530 118.458 119.914 0.124 0.000 3.546 166 V HA 0.402 4.376 4.120 -0.243 0.000 0.296 166 V C 0.888 177.057 176.094 0.125 0.000 1.082 166 V CA -0.645 61.682 62.300 0.045 0.000 1.086 166 V CB 0.200 32.046 31.823 0.037 0.000 1.174 166 V HN 1.445 nan 8.190 nan 0.000 0.464 167 c N -0.670 117.979 118.600 0.082 0.000 0.170 167 c HA -0.175 4.250 4.570 -0.243 0.000 0.017 167 c C -1.094 173.014 174.090 0.029 0.000 0.171 167 c CA 0.939 57.357 56.329 0.149 0.000 0.499 167 c CB -2.754 40.029 42.510 0.455 0.000 3.212 167 c HN 1.016 nan 8.230 nan 0.000 1.118 168 P HA 0.203 nan 4.420 nan 0.000 0.251 168 P C 0.740 177.840 177.300 -0.333 0.000 1.289 168 P CA 2.856 65.889 63.100 -0.112 0.000 0.676 168 P CB 0.136 31.799 31.700 -0.062 0.000 1.294 169 T N -5.131 109.188 114.554 -0.393 0.000 3.521 169 T HA 0.229 4.433 4.350 -0.243 0.000 0.284 169 T C -2.574 171.993 174.700 -0.221 0.000 0.876 169 T CA -0.095 61.666 62.100 -0.565 0.000 0.803 169 T CB -1.275 67.379 68.868 -0.356 0.000 1.232 169 T HN 0.000 nan 8.240 nan 0.000 0.814 170 P HA 0.498 nan 4.420 nan 0.000 0.321 170 P C -2.753 174.689 177.300 0.236 0.000 1.304 170 P CA -1.260 61.888 63.100 0.080 0.000 0.759 170 P CB -0.063 31.637 31.700 -0.001 0.000 1.385 171 P HA 0.081 nan 4.420 nan 0.000 0.264 171 P C -1.236 176.118 177.300 0.090 0.000 1.229 171 P CA 0.754 63.903 63.100 0.081 0.000 0.780 171 P CB -0.294 31.414 31.700 0.014 0.000 0.808 172 Y N 3.372 123.650 120.300 -0.036 0.000 2.446 172 Y HA 0.262 4.667 4.550 -0.243 0.000 0.345 172 Y C 1.012 176.814 175.900 -0.164 0.000 0.984 172 Y CA -0.683 57.379 58.100 -0.064 0.000 1.058 172 Y CB 2.005 40.473 38.460 0.014 0.000 1.220 172 Y HN 0.386 nan 8.280 nan 0.000 0.455 173 Q N 0.807 120.900 119.800 0.489 0.000 2.140 173 Q HA 0.195 4.389 4.340 -0.243 0.000 0.227 173 Q C -0.269 175.735 176.000 0.007 0.000 0.798 173 Q CA 0.530 56.394 55.803 0.102 0.000 0.987 173 Q CB 0.506 29.281 28.738 0.062 0.000 1.161 173 Q HN 0.576 nan 8.270 nan 0.000 0.480 174 S N 0.354 116.040 115.700 -0.024 0.000 2.545 174 S HA 0.215 4.540 4.470 -0.243 0.000 0.232 174 S C 0.563 175.086 174.600 -0.128 0.000 1.070 174 S CA -0.178 57.986 58.200 -0.059 0.000 0.923 174 S CB 0.177 63.395 63.200 0.029 0.000 0.806 174 S HN 0.352 nan 8.310 nan 0.000 0.506 175 L N 1.954 123.037 121.223 -0.234 0.000 2.313 175 L HA 0.897 5.091 4.340 -0.243 0.000 0.268 175 L C -0.236 176.512 176.870 -0.204 0.000 1.010 175 L CA -1.531 53.202 54.840 -0.178 0.000 0.814 175 L CB 0.627 42.572 42.059 -0.190 0.000 1.304 175 L HN 0.162 nan 8.230 nan 0.000 0.441 176 A N 2.347 125.107 122.820 -0.101 0.000 2.462 176 A HA 0.296 4.470 4.320 -0.243 0.000 0.243 176 A C 0.273 177.786 177.584 -0.118 0.000 1.076 176 A CA -0.276 51.723 52.037 -0.063 0.000 0.773 176 A CB -0.187 18.880 19.000 0.112 0.000 1.010 176 A HN 0.834 nan 8.150 nan 0.000 0.493 177 R N 1.973 122.344 120.500 -0.216 0.000 2.458 177 R HA 0.074 4.268 4.340 -0.243 0.000 0.303 177 R C -0.876 175.409 176.300 -0.024 0.000 1.013 177 R CA 0.313 56.249 56.100 -0.272 0.000 1.026 177 R CB 0.213 30.187 30.300 -0.543 0.000 0.948 177 R HN 0.693 nan 8.270 nan 0.000 0.417 178 E N 3.959 124.158 120.200 -0.002 0.000 2.183 178 E HA 0.154 4.358 4.350 -0.243 0.000 0.271 178 E C -0.652 175.983 176.600 0.058 0.000 0.919 178 E CA -0.991 55.439 56.400 0.049 0.000 0.781 178 E CB 1.860 31.583 29.700 0.038 0.000 1.140 178 E HN 0.533 nan 8.360 nan 0.000 0.402 179 Q N 0.775 120.574 119.800 -0.002 0.000 2.317 179 Q HA 0.439 4.633 4.340 -0.243 0.000 0.229 179 Q C -0.019 175.962 176.000 -0.032 0.000 0.984 179 Q CA -0.196 55.566 55.803 -0.067 0.000 0.911 179 Q CB 0.993 29.526 28.738 -0.343 0.000 1.217 179 Q HN 0.468 nan 8.270 nan 0.000 0.501 180 I N 1.628 122.159 120.570 -0.064 0.000 2.353 180 I HA 0.186 4.211 4.170 -0.243 0.000 0.293 180 I C -0.251 175.822 176.117 -0.073 0.000 0.992 180 I CA -0.607 60.649 61.300 -0.073 0.000 1.268 180 I CB 1.045 38.972 38.000 -0.123 0.000 1.387 180 I HN 0.503 nan 8.210 nan 0.000 0.478 181 N N 5.141 123.817 118.700 -0.041 0.000 2.421 181 N HA 0.446 5.041 4.740 -0.243 0.000 0.285 181 N C -0.392 175.104 175.510 -0.024 0.000 1.027 181 N CA -0.311 52.730 53.050 -0.017 0.000 0.918 181 N CB 1.888 40.372 38.487 -0.006 0.000 1.152 181 N HN 0.662 nan 8.380 nan 0.000 0.485 182 A N 2.666 125.485 122.820 -0.002 0.000 2.676 182 A HA 0.430 4.604 4.320 -0.243 0.000 0.297 182 A C -0.485 177.144 177.584 0.075 0.000 1.132 182 A CA -0.281 51.756 52.037 0.000 0.000 0.972 182 A CB -0.400 18.540 19.000 -0.100 0.000 1.197 182 A HN 0.472 nan 8.150 nan 0.000 0.524 183 V N -3.763 116.203 119.914 0.085 0.000 3.188 183 V HA 0.778 4.753 4.120 -0.243 0.000 0.305 183 V C -0.067 176.081 176.094 0.090 0.000 1.232 183 V CA -0.352 62.008 62.300 0.099 0.000 1.043 183 V CB 0.949 32.836 31.823 0.107 0.000 1.068 183 V HN 0.507 nan 8.190 nan 0.000 0.439 184 T N -1.013 113.616 114.554 0.125 0.000 2.907 184 T HA 0.284 4.488 4.350 -0.243 0.000 0.298 184 T C 0.986 175.722 174.700 0.061 0.000 1.017 184 T CA 0.561 62.747 62.100 0.144 0.000 1.118 184 T CB 1.126 70.167 68.868 0.288 0.000 0.948 184 T HN 0.846 nan 8.240 nan 0.000 0.531 185 S N 1.802 117.419 115.700 -0.139 0.000 2.474 185 S HA 0.133 4.458 4.470 -0.243 0.000 0.235 185 S C 0.228 174.637 174.600 -0.319 0.000 0.997 185 S CA 0.327 58.344 58.200 -0.305 0.000 0.949 185 S CB -0.531 62.393 63.200 -0.461 0.000 0.766 185 S HN 0.690 nan 8.310 nan 0.000 0.517 186 F N 0.947 120.970 119.950 0.121 0.000 2.382 186 F HA 0.364 4.746 4.527 -0.242 0.000 0.331 186 F C 0.433 176.357 175.800 0.208 0.000 1.121 186 F CA -1.028 57.078 58.000 0.176 0.000 1.183 186 F CB 0.361 39.491 39.000 0.217 0.000 1.207 186 F HN -0.077 nan 8.300 nan 0.000 0.555 187 L N 3.230 124.721 121.223 0.448 0.000 2.363 187 L HA 0.145 4.339 4.340 -0.243 0.000 0.286 187 L C -0.215 176.908 176.870 0.421 0.000 1.106 187 L CA 0.084 55.175 54.840 0.419 0.000 0.859 187 L CB -0.152 42.218 42.059 0.518 0.000 1.223 187 L HN 0.839 nan 8.230 nan 0.000 0.446 188 D N 2.588 123.198 120.400 0.350 0.000 2.538 188 D HA 0.150 4.645 4.640 -0.243 0.000 0.241 188 D C 0.560 177.036 176.300 0.292 0.000 1.297 188 D CA 0.354 54.541 54.000 0.312 0.000 0.804 188 D CB 0.588 41.551 40.800 0.273 0.000 1.122 188 D HN 0.431 nan 8.370 nan 0.000 0.519 189 A N 0.593 123.574 122.820 0.269 0.000 3.061 189 A HA -0.189 3.985 4.320 -0.243 0.000 0.244 189 A C 1.462 179.191 177.584 0.241 0.000 1.357 189 A CA 0.981 53.156 52.037 0.231 0.000 0.889 189 A CB -2.685 16.508 19.000 0.321 0.000 1.092 189 A HN 0.820 nan 8.150 nan 0.000 0.694 190 S N -0.552 115.286 115.700 0.229 0.000 2.660 190 S HA 0.190 4.515 4.470 -0.243 0.000 0.223 190 S C 1.479 176.167 174.600 0.146 0.000 0.963 190 S CA 0.821 59.152 58.200 0.219 0.000 0.932 190 S CB -0.795 62.524 63.200 0.199 0.000 0.775 190 S HN 1.684 nan 8.310 nan 0.000 0.531 191 L N -2.372 118.913 121.223 0.103 0.000 2.416 191 L HA 0.368 4.562 4.340 -0.243 0.000 0.216 191 L C 1.838 178.782 176.870 0.123 0.000 1.098 191 L CA 0.193 55.108 54.840 0.126 0.000 0.840 191 L CB -0.389 41.740 42.059 0.116 0.000 0.981 191 L HN 0.152 nan 8.230 nan 0.000 0.462 192 V N -0.357 119.506 119.914 -0.085 0.000 2.500 192 V HA -0.087 3.887 4.120 -0.243 0.000 0.243 192 V C 1.914 177.754 176.094 -0.423 0.000 1.039 192 V CA 1.429 63.532 62.300 -0.328 0.000 1.053 192 V CB -0.358 31.039 31.823 -0.710 0.000 0.695 192 V HN 0.414 nan 8.190 nan 0.000 0.463 193 Y N 0.391 120.712 120.300 0.034 0.000 2.497 193 Y HA 0.544 4.931 4.550 -0.272 0.000 0.265 193 Y C 1.318 177.257 175.900 0.065 0.000 1.111 193 Y CA 0.485 58.606 58.100 0.036 0.000 1.288 193 Y CB 0.278 38.754 38.460 0.027 0.000 1.082 193 Y HN 0.318 nan 8.280 nan 0.000 0.536 194 G N -0.113 108.803 108.800 0.193 0.000 2.662 194 G HA2 -0.158 3.656 3.960 -0.243 0.000 0.686 194 G HA3 -0.158 3.656 3.960 -0.243 0.000 0.686 194 G C 0.117 175.126 174.900 0.182 0.000 1.271 194 G CA -0.246 44.961 45.100 0.179 0.000 0.816 194 G HN 0.022 nan 8.290 nan 0.000 0.608 195 S N 0.263 116.062 115.700 0.164 0.000 2.578 195 S HA 0.305 4.629 4.470 -0.243 0.000 0.231 195 S C 0.475 175.145 174.600 0.118 0.000 0.994 195 S CA 0.446 58.730 58.200 0.139 0.000 0.956 195 S CB 0.358 63.633 63.200 0.124 0.000 0.870 195 S HN 0.568 nan 8.310 nan 0.000 0.494 196 E N 1.636 121.909 120.200 0.122 0.000 2.288 196 E HA 0.376 4.581 4.350 -0.243 0.000 0.268 196 E C -2.764 173.884 176.600 0.080 0.000 0.885 196 E CA -2.488 53.969 56.400 0.095 0.000 0.767 196 E CB 1.637 31.400 29.700 0.106 0.000 1.220 196 E HN -0.011 nan 8.360 nan 0.000 0.427 200 A N 0.148 123.010 122.820 0.071 0.000 2.067 200 A HA -0.321 3.854 4.320 -0.243 0.000 0.224 200 A C 2.308 179.899 177.584 0.012 0.000 1.172 200 A CA 2.892 54.983 52.037 0.091 0.000 0.662 200 A CB -1.103 17.968 19.000 0.118 0.000 0.814 200 A HN 0.662 nan 8.150 nan 0.000 0.468 201 S N -1.160 114.528 115.700 -0.020 0.000 2.377 201 S HA -0.121 4.203 4.470 -0.243 0.000 0.223 201 S C 2.146 176.715 174.600 -0.051 0.000 1.030 201 S CA 1.170 59.332 58.200 -0.063 0.000 0.970 201 S CB -0.317 62.853 63.200 -0.050 0.000 0.830 201 S HN 0.662 nan 8.310 nan 0.000 0.473 202 R N -0.042 120.441 120.500 -0.030 0.000 2.189 202 R HA 0.049 4.244 4.340 -0.243 0.000 0.223 202 R C 1.524 177.805 176.300 -0.032 0.000 1.092 202 R CA 0.819 56.900 56.100 -0.031 0.000 0.989 202 R CB -0.145 30.136 30.300 -0.032 0.000 0.876 202 R HN 0.347 nan 8.270 nan 0.000 0.457 203 L N 0.638 121.847 121.223 -0.024 0.000 2.313 203 L HA 0.056 4.251 4.340 -0.243 0.000 0.214 203 L C 0.682 177.541 176.870 -0.019 0.000 1.119 203 L CA 1.190 56.017 54.840 -0.022 0.000 0.809 203 L CB -0.689 41.372 42.059 0.003 0.000 0.933 203 L HN 0.096 nan 8.230 nan 0.000 0.449 204 R N 0.436 120.916 120.500 -0.033 0.000 2.500 204 R HA 0.142 4.337 4.340 -0.243 0.000 0.275 204 R C 0.345 176.624 176.300 -0.035 0.000 1.051 204 R CA -0.495 55.575 56.100 -0.049 0.000 1.088 204 R CB 0.515 30.711 30.300 -0.172 0.000 1.063 204 R HN -0.115 nan 8.270 nan 0.000 0.511 205 N N 2.785 121.480 118.700 -0.007 0.000 2.918 205 N HA 0.071 4.666 4.740 -0.243 0.000 0.247 205 N C 0.452 175.960 175.510 -0.003 0.000 1.117 205 N CA -0.005 53.051 53.050 0.010 0.000 1.005 205 N CB 0.356 38.870 38.487 0.044 0.000 1.297 205 N HN 0.549 nan 8.380 nan 0.000 0.513 206 L N 0.891 122.097 121.223 -0.027 0.000 2.109 206 L HA -0.132 4.062 4.340 -0.243 0.000 0.207 206 L C 2.388 179.252 176.870 -0.011 0.000 1.086 206 L CA 0.910 55.728 54.840 -0.036 0.000 0.760 206 L CB -0.489 41.538 42.059 -0.053 0.000 0.910 206 L HN 0.456 nan 8.230 nan 0.000 0.437 207 S N -1.121 114.579 115.700 0.000 0.000 2.413 207 S HA -0.217 4.107 4.470 -0.243 0.000 0.237 207 S C 1.207 175.817 174.600 0.017 0.000 1.044 207 S CA 1.303 59.509 58.200 0.010 0.000 1.024 207 S CB -0.605 62.606 63.200 0.019 0.000 0.829 207 S HN 0.421 nan 8.310 nan 0.000 0.475 208 S N 1.994 117.708 115.700 0.023 0.000 2.472 208 S HA 0.555 4.880 4.470 -0.243 0.000 0.303 208 S C -2.726 171.892 174.600 0.030 0.000 1.099 208 S CA -1.693 56.526 58.200 0.031 0.000 1.077 208 S CB 1.972 65.198 63.200 0.043 0.000 1.031 208 S HN 0.212 nan 8.310 nan 0.000 0.487 209 P HA 0.273 nan 4.420 nan 0.000 0.228 209 P C 0.029 177.361 177.300 0.053 0.000 1.764 209 P CA -0.156 62.965 63.100 0.035 0.000 0.929 209 P CB -0.404 31.316 31.700 0.033 0.000 1.675 210 L N -1.777 119.484 121.223 0.064 0.000 2.693 210 L HA 0.408 4.603 4.340 -0.243 0.000 0.235 210 L C 1.473 178.406 176.870 0.105 0.000 1.127 210 L CA 0.323 55.210 54.840 0.080 0.000 0.914 210 L CB -0.454 41.649 42.059 0.072 0.000 1.193 210 L HN 0.123 nan 8.230 nan 0.000 0.502 211 G N 1.064 109.935 108.800 0.118 0.000 2.153 211 G HA2 -0.272 3.543 3.960 -0.243 0.000 0.252 211 G HA3 -0.272 3.543 3.960 -0.243 0.000 0.252 211 G C 0.203 175.300 174.900 0.329 0.000 0.994 211 G CA -0.026 45.200 45.100 0.210 0.000 0.698 211 G HN 0.241 nan 8.290 nan 0.000 0.521 212 L N 0.076 121.430 121.223 0.219 0.000 2.464 212 L HA 0.491 4.686 4.340 -0.243 0.000 0.264 212 L C 1.292 178.294 176.870 0.220 0.000 1.199 212 L CA -0.481 54.504 54.840 0.243 0.000 0.818 212 L CB 0.360 42.506 42.059 0.144 0.000 1.102 212 L HN 0.069 nan 8.230 nan 0.000 0.473 213 M N 1.333 121.051 119.600 0.195 0.000 2.342 213 M HA 0.360 4.695 4.480 -0.243 0.000 0.332 213 M C 0.078 176.398 176.300 0.032 0.000 1.166 213 M CA -0.572 54.758 55.300 0.050 0.000 1.086 213 M CB 1.382 33.948 32.600 -0.055 0.000 1.541 213 M HN 0.665 nan 8.290 nan 0.000 0.462 214 A N 2.459 125.277 122.820 -0.004 0.000 2.409 214 A HA 0.504 4.679 4.320 -0.243 0.000 0.262 214 A C 0.077 177.628 177.584 -0.056 0.000 1.113 214 A CA -0.534 51.495 52.037 -0.014 0.000 0.790 214 A CB 0.020 19.009 19.000 -0.017 0.000 1.046 214 A HN 0.780 nan 8.150 nan 0.000 0.496 215 V N 1.686 121.554 119.914 -0.075 0.000 3.267 215 V HA 0.532 4.506 4.120 -0.243 0.000 0.317 215 V C 0.377 176.336 176.094 -0.226 0.000 1.131 215 V CA -1.309 60.877 62.300 -0.190 0.000 1.031 215 V CB 1.478 33.119 31.823 -0.305 0.000 1.159 215 V HN 0.877 nan 8.190 nan 0.000 0.454 216 N N 1.381 119.867 118.700 -0.357 0.000 2.513 216 N HA 0.123 4.717 4.740 -0.243 0.000 0.268 216 N C 0.516 175.845 175.510 -0.302 0.000 1.180 216 N CA 0.037 52.899 53.050 -0.313 0.000 0.948 216 N CB 1.613 39.891 38.487 -0.348 0.000 1.083 216 N HN 0.784 nan 8.380 nan 0.000 0.455 217 Q N 2.876 122.662 119.800 -0.022 0.000 2.178 217 Q HA 0.010 4.204 4.340 -0.243 0.000 0.195 217 Q C 1.244 177.395 176.000 0.252 0.000 0.960 217 Q CA 1.127 57.024 55.803 0.158 0.000 0.843 217 Q CB -0.373 28.465 28.738 0.166 0.000 0.927 217 Q HN 0.611 nan 8.270 nan 0.000 0.487 218 E N 1.186 121.536 120.200 0.250 0.000 2.160 218 E HA -0.018 4.186 4.350 -0.243 0.000 0.195 218 E C 0.059 176.855 176.600 0.327 0.000 0.991 218 E CA 1.111 57.688 56.400 0.294 0.000 0.810 218 E CB 0.081 29.988 29.700 0.345 0.000 0.742 218 E HN 0.301 nan 8.360 nan 0.000 0.466 219 A N -1.146 121.849 122.820 0.291 0.000 2.515 219 A HA 0.677 4.851 4.320 -0.243 0.000 0.296 219 A C -1.714 175.952 177.584 0.137 0.000 1.094 219 A CA -0.696 51.552 52.037 0.353 0.000 0.718 219 A CB 0.957 20.220 19.000 0.438 0.000 1.307 219 A HN 0.144 nan 8.150 nan 0.000 0.408 220 W N -0.134 121.175 121.300 0.016 0.000 3.127 220 W HA 0.473 4.984 4.660 -0.247 0.000 0.330 220 W C -1.112 175.082 176.519 -0.542 0.000 1.187 220 W CA -0.203 56.934 57.345 -0.346 0.000 1.198 220 W CB 1.741 31.104 29.460 -0.163 0.000 1.408 220 W HN 0.639 nan 8.180 nan 0.000 0.529 221 D N 2.016 122.022 120.400 -0.655 0.000 2.411 221 D HA 0.114 4.608 4.640 -0.243 0.000 0.225 221 D C 0.730 176.887 176.300 -0.239 0.000 1.156 221 D CA 0.488 54.149 54.000 -0.565 0.000 0.874 221 D CB 0.066 40.504 40.800 -0.602 0.000 1.034 221 D HN 0.479 nan 8.370 nan 0.000 0.502 222 H N 2.632 121.734 119.070 0.053 0.000 2.696 222 H HA -0.218 4.192 4.556 -0.244 0.000 0.312 222 H C 1.087 176.467 175.328 0.087 0.000 1.066 222 H CA 1.195 57.292 56.048 0.082 0.000 1.155 222 H CB -1.526 28.303 29.762 0.112 0.000 1.380 222 H HN 0.721 nan 8.280 nan 0.000 0.388 223 G N -0.951 107.930 108.800 0.135 0.000 2.167 223 G HA2 -0.127 3.687 3.960 -0.243 0.000 0.194 223 G HA3 -0.127 3.687 3.960 -0.243 0.000 0.194 223 G C -0.200 174.800 174.900 0.166 0.000 1.027 223 G CA 0.018 45.172 45.100 0.091 0.000 0.717 223 G HN 0.446 nan 8.290 nan 0.000 0.501 224 L N -0.499 120.844 121.223 0.200 0.000 2.424 224 L HA 0.837 5.032 4.340 -0.243 0.000 0.258 224 L C 0.927 177.773 176.870 -0.040 0.000 0.995 224 L CA -0.786 54.124 54.840 0.117 0.000 0.821 224 L CB 1.911 43.939 42.059 -0.051 0.000 1.383 224 L HN 0.452 nan 8.230 nan 0.000 0.410 225 A N 1.261 124.027 122.820 -0.090 0.000 2.583 225 A HA 0.217 4.391 4.320 -0.243 0.000 0.231 225 A C -1.138 176.219 177.584 -0.379 0.000 1.065 225 A CA 0.936 52.774 52.037 -0.333 0.000 0.760 225 A CB -0.065 18.831 19.000 -0.173 0.000 1.001 225 A HN 0.627 nan 8.150 nan 0.000 0.509 226 Y N 0.108 120.119 120.300 -0.483 0.000 2.479 226 Y HA 0.317 4.720 4.550 -0.244 0.000 0.338 226 Y C 0.082 175.706 175.900 -0.460 0.000 1.055 226 Y CA -1.161 56.661 58.100 -0.465 0.000 1.023 226 Y CB 1.623 39.809 38.460 -0.457 0.000 1.287 226 Y HN 0.559 nan 8.280 nan 0.000 0.447 227 L N 4.953 125.950 121.223 -0.377 0.000 2.506 227 L HA 0.078 4.272 4.340 -0.243 0.000 0.281 227 L C -2.315 174.434 176.870 -0.202 0.000 1.228 227 L CA -1.574 53.071 54.840 -0.326 0.000 0.850 227 L CB 0.029 41.810 42.059 -0.463 0.000 1.110 227 L HN 0.260 nan 8.230 nan 0.000 0.496 228 P HA 0.102 nan 4.420 nan 0.000 0.275 228 P C -0.500 176.748 177.300 -0.086 0.000 1.228 228 P CA -0.287 62.728 63.100 -0.141 0.000 0.786 228 P CB 0.418 32.073 31.700 -0.075 0.000 0.927 229 F N 1.174 121.138 119.950 0.023 0.000 2.485 229 F HA 0.154 4.538 4.527 -0.239 0.000 0.327 229 F C 1.460 177.227 175.800 -0.055 0.000 1.203 229 F CA 0.612 58.584 58.000 -0.046 0.000 1.295 229 F CB 0.054 39.012 39.000 -0.070 0.000 1.191 229 F HN 0.254 nan 8.300 nan 0.000 0.588 230 N N 1.382 120.176 118.700 0.156 0.000 2.362 230 N HA 0.155 4.750 4.740 -0.243 0.000 0.298 230 N C 0.484 175.999 175.510 0.009 0.000 1.048 230 N CA -0.306 52.763 53.050 0.031 0.000 0.858 230 N CB 0.897 39.370 38.487 -0.023 0.000 1.218 230 N HN 0.431 nan 8.380 nan 0.000 0.488 231 N N 2.125 120.817 118.700 -0.013 0.000 2.013 231 N HA -0.171 4.423 4.740 -0.243 0.000 0.195 231 N C -0.169 175.320 175.510 -0.035 0.000 1.051 231 N CA 1.065 54.100 53.050 -0.023 0.000 0.851 231 N CB -0.435 38.036 38.487 -0.027 0.000 1.044 231 N HN 0.623 nan 8.380 nan 0.000 0.422 232 K N 1.747 122.120 120.400 -0.044 0.000 2.386 232 K HA -0.169 4.005 4.320 -0.243 0.000 0.255 232 K C -0.705 175.871 176.600 -0.040 0.000 1.134 232 K CA 1.054 57.315 56.287 -0.044 0.000 1.203 232 K CB -0.023 32.445 32.500 -0.054 0.000 0.768 232 K HN 0.098 nan 8.250 nan 0.000 0.501 233 K N 4.851 125.229 120.400 -0.036 0.000 2.378 233 K HA 0.339 4.513 4.320 -0.243 0.000 0.252 233 K C -2.258 174.323 176.600 -0.031 0.000 0.931 233 K CA -1.856 54.412 56.287 -0.032 0.000 0.794 233 K CB 1.567 34.048 32.500 -0.031 0.000 1.181 233 K HN 0.520 nan 8.250 nan 0.000 0.425 234 P HA 0.062 nan 4.420 nan 0.000 0.280 234 P C -0.825 176.462 177.300 -0.022 0.000 1.300 234 P CA -0.422 62.668 63.100 -0.017 0.000 0.785 234 P CB 0.719 32.412 31.700 -0.012 0.000 0.874 235 S N 4.000 119.691 115.700 -0.015 0.000 2.523 235 S HA 0.260 4.584 4.470 -0.243 0.000 0.275 235 S C -1.307 173.307 174.600 0.024 0.000 1.281 235 S CA -1.055 57.135 58.200 -0.017 0.000 1.050 235 S CB 1.080 64.267 63.200 -0.022 0.000 0.937 235 S HN 0.365 nan 8.310 nan 0.000 0.492 236 P HA 0.108 nan 4.420 nan 0.000 0.242 236 P C 0.703 178.123 177.300 0.199 0.000 1.197 236 P CA 0.034 63.216 63.100 0.137 0.000 0.765 236 P CB -0.357 31.388 31.700 0.075 0.000 0.936 237 c N 0.874 119.550 118.600 0.128 0.000 2.448 237 c HA -0.043 4.381 4.570 -0.243 0.000 0.280 237 c C 2.280 176.449 174.090 0.131 0.000 1.398 237 c CA 0.907 57.325 56.329 0.148 0.000 1.774 237 c CB -1.312 41.250 42.510 0.087 0.000 1.888 237 c HN 0.431 nan 8.230 nan 0.000 0.519 238 E N -0.701 119.559 120.200 0.100 0.000 2.474 238 E HA -0.004 4.200 4.350 -0.243 0.000 0.195 238 E C 1.583 178.235 176.600 0.087 0.000 1.039 238 E CA 0.152 56.584 56.400 0.053 0.000 0.881 238 E CB -0.280 29.418 29.700 -0.005 0.000 0.970 238 E HN 0.645 nan 8.360 nan 0.000 0.486 239 F N 2.806 122.787 119.950 0.052 0.000 2.219 239 F HA 0.035 4.416 4.527 -0.243 0.000 0.294 239 F C 1.991 177.848 175.800 0.095 0.000 1.086 239 F CA 0.816 58.869 58.000 0.087 0.000 1.330 239 F CB 0.010 39.110 39.000 0.166 0.000 1.047 239 F HN 0.012 nan 8.300 nan 0.000 0.495 240 I N -0.766 119.849 120.570 0.075 0.000 2.700 240 I HA -0.101 3.923 4.170 -0.243 0.000 0.261 240 I C 0.221 176.295 176.117 -0.072 0.000 1.219 240 I CA 1.292 62.586 61.300 -0.009 0.000 1.463 240 I CB -0.676 37.378 38.000 0.089 0.000 1.092 240 I HN 0.203 nan 8.210 nan 0.000 0.452 241 N N 0.599 119.244 118.700 -0.092 0.000 2.751 241 N HA 0.054 4.649 4.740 -0.243 0.000 0.238 241 N C 0.833 176.210 175.510 -0.223 0.000 1.351 241 N CA 0.558 53.482 53.050 -0.211 0.000 0.751 241 N CB 0.849 39.098 38.487 -0.397 0.000 1.342 241 N HN 0.304 nan 8.380 nan 0.000 0.540 242 T N -1.628 112.796 114.554 -0.217 0.000 2.929 242 T HA -0.101 4.103 4.350 -0.243 0.000 0.271 242 T C 1.299 175.903 174.700 -0.161 0.000 1.085 242 T CA 1.762 63.766 62.100 -0.160 0.000 1.125 242 T CB -0.066 68.713 68.868 -0.149 0.000 0.874 242 T HN 0.266 nan 8.240 nan 0.000 0.494 243 T N 1.447 115.874 114.554 -0.213 0.000 2.894 243 T HA 0.358 4.562 4.350 -0.243 0.000 0.258 243 T C 2.448 177.013 174.700 -0.224 0.000 1.043 243 T CA 0.788 62.766 62.100 -0.203 0.000 1.141 243 T CB -0.549 68.184 68.868 -0.225 0.000 0.873 243 T HN 0.566 nan 8.240 nan 0.000 0.449 244 A N 1.220 123.849 122.820 -0.319 0.000 2.021 244 A HA 0.177 4.351 4.320 -0.243 0.000 0.216 244 A C 0.911 178.389 177.584 -0.177 0.000 1.163 244 A CA 0.122 51.982 52.037 -0.296 0.000 0.676 244 A CB -0.313 18.372 19.000 -0.525 0.000 0.818 244 A HN 0.433 nan 8.150 nan 0.000 0.453 245 R N -1.301 119.104 120.500 -0.159 0.000 2.884 245 R HA -0.108 4.086 4.340 -0.243 0.000 0.251 245 R C -1.137 175.080 176.300 -0.139 0.000 0.870 245 R CA 0.759 56.786 56.100 -0.120 0.000 0.647 245 R CB -2.137 28.092 30.300 -0.119 0.000 1.415 245 R HN 0.182 nan 8.270 nan 0.000 0.513 246 V N 2.766 122.628 119.914 -0.086 0.000 2.350 246 V HA 0.347 4.322 4.120 -0.243 0.000 0.285 246 V C -1.634 174.390 176.094 -0.116 0.000 1.014 246 V CA -2.232 59.995 62.300 -0.123 0.000 0.831 246 V CB 1.999 33.860 31.823 0.062 0.000 1.000 246 V HN 0.241 nan 8.190 nan 0.000 0.433 247 P HA 0.107 nan 4.420 nan 0.000 0.273 247 P C -0.162 177.098 177.300 -0.067 0.000 1.258 247 P CA -0.125 62.897 63.100 -0.130 0.000 0.802 247 P CB 0.469 32.052 31.700 -0.196 0.000 1.040 248 c N -1.017 117.545 118.600 -0.063 0.000 2.345 248 c HA 0.460 4.884 4.570 -0.243 0.000 0.369 248 c C 0.328 174.275 174.090 -0.239 0.000 1.273 248 c CA -0.240 55.993 56.329 -0.160 0.000 2.310 248 c CB -0.497 42.018 42.510 0.009 0.000 2.219 248 c HN 0.378 nan 8.230 nan 0.000 0.587 249 F N 0.727 120.676 119.950 -0.002 0.000 2.379 249 F HA 0.508 4.893 4.527 -0.237 0.000 0.332 249 F C 0.180 175.896 175.800 -0.140 0.000 1.096 249 F CA -0.618 57.313 58.000 -0.116 0.000 1.105 249 F CB 0.613 39.496 39.000 -0.194 0.000 1.189 249 F HN 0.252 nan 8.300 nan 0.000 0.515 250 L N 3.108 124.355 121.223 0.039 0.000 2.264 250 L HA 0.757 4.952 4.340 -0.243 0.000 0.289 250 L C -0.385 176.408 176.870 -0.128 0.000 1.044 250 L CA 0.173 54.962 54.840 -0.084 0.000 0.807 250 L CB 0.287 42.300 42.059 -0.077 0.000 1.192 250 L HN 0.752 nan 8.230 nan 0.000 0.425 251 A N 3.133 125.834 122.820 -0.198 0.000 2.567 251 A HA 0.630 4.805 4.320 -0.243 0.000 0.289 251 A C 0.854 178.348 177.584 -0.151 0.000 1.177 251 A CA -0.119 51.778 52.037 -0.233 0.000 0.694 251 A CB 0.431 19.142 19.000 -0.482 0.000 1.292 251 A HN 0.767 nan 8.150 nan 0.000 0.425 252 G N -0.784 107.960 108.800 -0.094 0.000 2.469 252 G HA2 0.032 3.846 3.960 -0.243 0.000 0.220 252 G HA3 0.032 3.846 3.960 -0.243 0.000 0.220 252 G C 0.301 175.267 174.900 0.111 0.000 1.136 252 G CA 1.759 46.876 45.100 0.029 0.000 0.759 252 G HN 0.842 nan 8.290 nan 0.000 0.562 253 D N -2.363 118.069 120.400 0.054 0.000 2.342 253 D HA 0.477 4.971 4.640 -0.243 0.000 0.243 253 D C 0.546 176.926 176.300 0.134 0.000 1.019 253 D CA -0.883 53.171 54.000 0.090 0.000 0.864 253 D CB 1.015 41.781 40.800 -0.057 0.000 1.315 253 D HN -0.113 nan 8.370 nan 0.000 0.468 254 F N 0.979 120.765 119.950 -0.274 0.000 2.558 254 F HA 0.168 4.548 4.527 -0.245 0.000 0.298 254 F C 1.850 177.551 175.800 -0.166 0.000 1.119 254 F CA 0.424 58.319 58.000 -0.175 0.000 1.451 254 F CB -0.350 38.601 39.000 -0.082 0.000 1.091 254 F HN 0.309 nan 8.300 nan 0.000 0.563 255 R N -0.028 120.399 120.500 -0.122 0.000 2.317 255 R HA 0.270 4.464 4.340 -0.243 0.000 0.208 255 R C 2.187 178.489 176.300 0.002 0.000 0.914 255 R CA 0.538 56.572 56.100 -0.111 0.000 1.060 255 R CB -0.397 29.657 30.300 -0.410 0.000 1.015 255 R HN 0.123 nan 8.270 nan 0.000 0.498 256 A N 1.033 123.841 122.820 -0.020 0.000 2.009 256 A HA -0.228 3.946 4.320 -0.243 0.000 0.222 256 A C 1.879 179.529 177.584 0.110 0.000 1.175 256 A CA 2.036 54.086 52.037 0.021 0.000 0.651 256 A CB -0.308 18.420 19.000 -0.454 0.000 0.815 256 A HN 0.257 nan 8.150 nan 0.000 0.459 257 S N -1.208 114.561 115.700 0.116 0.000 2.535 257 S HA 0.030 4.355 4.470 -0.243 0.000 0.214 257 S C 1.555 176.105 174.600 -0.084 0.000 0.980 257 S CA 0.380 58.669 58.200 0.149 0.000 0.907 257 S CB 0.079 63.425 63.200 0.243 0.000 0.790 257 S HN 0.735 nan 8.310 nan 0.000 0.510 258 E N 1.759 121.775 120.200 -0.306 0.000 2.136 258 E HA -0.259 3.945 4.350 -0.243 0.000 0.202 258 E C 0.252 176.561 176.600 -0.485 0.000 1.019 258 E CA 1.360 57.257 56.400 -0.839 0.000 0.819 258 E CB 0.074 29.554 29.700 -0.367 0.000 0.739 258 E HN 0.723 nan 8.360 nan 0.000 0.458 259 Q N -1.468 118.232 119.800 -0.167 0.000 2.295 259 Q HA 0.276 4.471 4.340 -0.243 0.000 0.268 259 Q C 0.411 176.401 176.000 -0.018 0.000 1.010 259 Q CA -0.267 55.508 55.803 -0.046 0.000 0.856 259 Q CB 0.619 29.385 28.738 0.046 0.000 1.349 259 Q HN 0.070 nan 8.270 nan 0.000 0.412 260 I N 1.076 121.626 120.570 -0.034 0.000 2.358 260 I HA -0.352 3.672 4.170 -0.243 0.000 0.257 260 I C 0.654 176.757 176.117 -0.022 0.000 1.123 260 I CA 1.497 62.778 61.300 -0.031 0.000 1.393 260 I CB 0.160 38.104 38.000 -0.093 0.000 1.073 260 I HN 0.830 nan 8.210 nan 0.000 0.437 261 L N -0.659 120.551 121.223 -0.021 0.000 2.127 261 L HA -0.092 4.103 4.340 -0.243 0.000 0.203 261 L C 2.039 178.906 176.870 -0.004 0.000 1.080 261 L CA 1.444 56.276 54.840 -0.013 0.000 0.768 261 L CB -0.924 41.129 42.059 -0.009 0.000 0.924 261 L HN 0.276 nan 8.230 nan 0.000 0.444 262 L N -0.165 121.059 121.223 0.001 0.000 2.083 262 L HA -0.091 4.104 4.340 -0.243 0.000 0.209 262 L C 2.417 179.330 176.870 0.071 0.000 1.083 262 L CA 1.985 56.832 54.840 0.011 0.000 0.752 262 L CB -0.812 41.269 42.059 0.037 0.000 0.899 262 L HN 0.177 nan 8.230 nan 0.000 0.433 263 A N -1.531 121.335 122.820 0.077 0.000 2.019 263 A HA -0.165 4.009 4.320 -0.243 0.000 0.219 263 A C 2.229 179.784 177.584 -0.048 0.000 1.164 263 A CA 2.082 54.160 52.037 0.069 0.000 0.644 263 A CB -1.088 17.999 19.000 0.145 0.000 0.805 263 A HN 0.533 nan 8.150 nan 0.000 0.449 264 T N 0.043 114.576 114.554 -0.035 0.000 2.857 264 T HA 0.065 4.270 4.350 -0.243 0.000 0.266 264 T C 2.202 176.885 174.700 -0.028 0.000 1.048 264 T CA 1.303 63.371 62.100 -0.054 0.000 1.139 264 T CB -0.314 68.537 68.868 -0.027 0.000 0.874 264 T HN 0.571 nan 8.240 nan 0.000 0.455 265 A N 0.974 123.792 122.820 -0.004 0.000 1.969 265 A HA -0.135 4.040 4.320 -0.243 0.000 0.218 265 A C 2.086 179.629 177.584 -0.068 0.000 1.169 265 A CA 1.120 53.163 52.037 0.011 0.000 0.635 265 A CB -0.708 18.283 19.000 -0.014 0.000 0.810 265 A HN 0.485 nan 8.150 nan 0.000 0.445 266 H N -0.408 118.605 119.070 -0.096 0.000 2.423 266 H HA -0.062 4.348 4.556 -0.244 0.000 0.297 266 H C 1.930 177.145 175.328 -0.190 0.000 1.075 266 H CA 1.878 57.840 56.048 -0.144 0.000 1.342 266 H CB -0.130 29.537 29.762 -0.158 0.000 1.395 266 H HN 0.443 nan 8.280 nan 0.000 0.530 267 T N 0.843 115.338 114.554 -0.099 0.000 2.985 267 T HA -0.051 4.154 4.350 -0.243 0.000 0.266 267 T C 1.984 176.614 174.700 -0.116 0.000 1.076 267 T CA 0.145 62.150 62.100 -0.158 0.000 1.135 267 T CB -0.012 68.737 68.868 -0.200 0.000 0.890 267 T HN 0.035 nan 8.240 nan 0.000 0.480 268 L N 0.648 121.818 121.223 -0.088 0.000 2.313 268 L HA 0.263 4.457 4.340 -0.243 0.000 0.214 268 L C 1.871 178.656 176.870 -0.142 0.000 1.119 268 L CA 1.207 55.985 54.840 -0.103 0.000 0.809 268 L CB -0.629 41.397 42.059 -0.056 0.000 0.933 268 L HN 0.283 nan 8.230 nan 0.000 0.449 269 L N -2.372 118.777 121.223 -0.123 0.000 2.307 269 L HA -0.066 4.128 4.340 -0.243 0.000 0.211 269 L C 2.159 178.946 176.870 -0.138 0.000 1.099 269 L CA 0.068 54.813 54.840 -0.158 0.000 0.816 269 L CB -0.186 41.786 42.059 -0.145 0.000 0.952 269 L HN 0.198 nan 8.230 nan 0.000 0.455 270 L N 0.153 121.306 121.223 -0.117 0.000 1.988 270 L HA -0.143 4.051 4.340 -0.243 0.000 0.207 270 L C 2.753 179.593 176.870 -0.049 0.000 1.071 270 L CA 1.656 56.439 54.840 -0.094 0.000 0.744 270 L CB -0.346 41.641 42.059 -0.119 0.000 0.893 270 L HN 0.050 nan 8.230 nan 0.000 0.433 271 R N -0.401 120.049 120.500 -0.084 0.000 2.133 271 R HA -0.291 3.903 4.340 -0.243 0.000 0.245 271 R C 2.221 178.476 176.300 -0.075 0.000 1.137 271 R CA 1.969 58.024 56.100 -0.075 0.000 0.947 271 R CB -0.654 29.583 30.300 -0.106 0.000 0.865 271 R HN 0.437 nan 8.270 nan 0.000 0.437 272 E N 0.012 120.138 120.200 -0.124 0.000 2.209 272 E HA -0.242 3.963 4.350 -0.243 0.000 0.196 272 E C 1.760 178.285 176.600 -0.125 0.000 0.993 272 E CA 1.696 57.997 56.400 -0.166 0.000 0.819 272 E CB -0.117 29.415 29.700 -0.281 0.000 0.745 272 E HN 0.510 nan 8.360 nan 0.000 0.477 273 H N -0.198 118.800 119.070 -0.121 0.000 2.326 273 H HA -0.013 4.428 4.556 -0.192 0.000 0.301 273 H C 1.676 176.986 175.328 -0.030 0.000 1.081 273 H CA 2.142 58.156 56.048 -0.057 0.000 1.334 273 H CB -0.125 29.631 29.762 -0.009 0.000 1.385 273 H HN 0.121 nan 8.280 nan 0.000 0.504 274 N N 0.437 119.154 118.700 0.027 0.000 2.166 274 N HA -0.141 4.453 4.740 -0.243 0.000 0.186 274 N C 2.015 177.481 175.510 -0.074 0.000 1.019 274 N CA 1.054 54.108 53.050 0.006 0.000 0.856 274 N CB -0.387 38.149 38.487 0.081 0.000 0.993 274 N HN 0.407 nan 8.380 nan 0.000 0.426 275 R N 0.261 120.710 120.500 -0.086 0.000 2.096 275 R HA -0.044 4.150 4.340 -0.243 0.000 0.235 275 R C 1.514 177.743 176.300 -0.119 0.000 1.127 275 R CA 0.861 56.906 56.100 -0.091 0.000 0.968 275 R CB -0.048 30.190 30.300 -0.104 0.000 0.861 275 R HN 0.088 nan 8.270 nan 0.000 0.440 276 L N 0.190 121.309 121.223 -0.173 0.000 2.095 276 L HA 0.025 4.219 4.340 -0.243 0.000 0.204 276 L C 2.503 179.272 176.870 -0.168 0.000 1.080 276 L CA 1.762 56.490 54.840 -0.188 0.000 0.759 276 L CB -1.437 40.483 42.059 -0.233 0.000 0.914 276 L HN 0.230 nan 8.230 nan 0.000 0.439 277 A N 0.397 123.074 122.820 -0.238 0.000 1.908 277 A HA -0.229 3.945 4.320 -0.243 0.000 0.218 277 A C 2.386 179.945 177.584 -0.042 0.000 1.181 277 A CA 1.853 53.790 52.037 -0.166 0.000 0.627 277 A CB -0.510 18.354 19.000 -0.227 0.000 0.818 277 A HN 0.503 nan 8.150 nan 0.000 0.445 278 R N -0.925 119.550 120.500 -0.041 0.000 2.240 278 R HA 0.007 4.201 4.340 -0.243 0.000 0.203 278 R C 1.414 177.707 176.300 -0.012 0.000 1.011 278 R CA 1.461 57.557 56.100 -0.006 0.000 1.007 278 R CB -0.166 30.136 30.300 0.002 0.000 0.911 278 R HN 0.351 nan 8.270 nan 0.000 0.468 279 E N 1.185 121.365 120.200 -0.033 0.000 2.170 279 E HA 0.040 4.244 4.350 -0.243 0.000 0.191 279 E C 1.860 178.448 176.600 -0.020 0.000 0.981 279 E CA 0.675 57.055 56.400 -0.035 0.000 0.830 279 E CB -0.084 29.580 29.700 -0.061 0.000 0.775 279 E HN 0.337 nan 8.360 nan 0.000 0.470 280 L N 0.190 121.415 121.223 0.003 0.000 2.362 280 L HA -0.096 4.098 4.340 -0.243 0.000 0.219 280 L C 2.051 178.956 176.870 0.058 0.000 1.134 280 L CA 0.708 55.588 54.840 0.066 0.000 0.807 280 L CB -0.141 42.033 42.059 0.192 0.000 0.927 280 L HN 0.013 nan 8.230 nan 0.000 0.447 281 K N 1.039 121.466 120.400 0.044 0.000 2.021 281 K HA -0.159 4.015 4.320 -0.243 0.000 0.205 281 K C 2.071 178.663 176.600 -0.012 0.000 1.047 281 K CA 1.346 57.655 56.287 0.038 0.000 0.943 281 K CB -0.101 32.426 32.500 0.045 0.000 0.725 281 K HN 0.005 nan 8.250 nan 0.000 0.439 282 K N 0.346 120.739 120.400 -0.012 0.000 2.127 282 K HA -0.157 4.018 4.320 -0.243 0.000 0.208 282 K C 1.666 178.242 176.600 -0.040 0.000 1.047 282 K CA 1.865 58.141 56.287 -0.020 0.000 0.927 282 K CB -0.140 32.350 32.500 -0.016 0.000 0.716 282 K HN 0.226 nan 8.250 nan 0.000 0.450 283 L N -0.415 120.768 121.223 -0.068 0.000 2.354 283 L HA 0.074 4.269 4.340 -0.243 0.000 0.212 283 L C 0.413 177.172 176.870 -0.184 0.000 1.091 283 L CA 0.373 55.157 54.840 -0.094 0.000 0.828 283 L CB -0.075 41.942 42.059 -0.070 0.000 0.973 283 L HN 0.145 nan 8.230 nan 0.000 0.461 284 N N 0.566 119.074 118.700 -0.320 0.000 2.791 284 N HA 0.186 4.780 4.740 -0.243 0.000 0.265 284 N C -2.168 173.109 175.510 -0.389 0.000 1.580 284 N CA -1.001 51.692 53.050 -0.595 0.000 0.809 284 N CB 1.446 38.916 38.487 -1.696 0.000 1.178 284 N HN -0.081 nan 8.380 nan 0.000 0.499 285 P HA -0.157 nan 4.420 nan 0.000 0.223 285 P C 0.889 178.239 177.300 0.083 0.000 1.144 285 P CA 1.179 64.292 63.100 0.023 0.000 0.783 285 P CB -0.068 31.664 31.700 0.054 0.000 0.771 286 H N -4.554 114.523 119.070 0.012 0.000 2.529 286 H HA 0.091 4.505 4.556 -0.236 0.000 0.277 286 H C -0.236 175.252 175.328 0.267 0.000 1.004 286 H CA -0.508 55.601 56.048 0.103 0.000 1.167 286 H CB -0.668 29.139 29.762 0.075 0.000 1.445 286 H HN 0.072 nan 8.280 nan 0.000 0.554 287 W N 4.471 125.560 121.300 -0.353 0.000 2.322 287 W HA 0.186 4.673 4.660 -0.288 0.000 0.307 287 W C 0.471 176.947 176.519 -0.073 0.000 1.220 287 W CA -1.227 55.978 57.345 -0.233 0.000 1.210 287 W CB 0.540 29.869 29.460 -0.218 0.000 1.223 287 W HN 0.237 nan 8.180 nan 0.000 0.511 288 N N 1.019 119.792 118.700 0.122 0.000 2.424 288 N HA 0.126 4.720 4.740 -0.243 0.000 0.257 288 N C 1.177 176.716 175.510 0.048 0.000 1.250 288 N CA 0.229 53.322 53.050 0.072 0.000 0.946 288 N CB 0.290 38.803 38.487 0.042 0.000 1.175 288 N HN 0.513 nan 8.380 nan 0.000 0.477 289 G N 0.158 108.985 108.800 0.045 0.000 2.505 289 G HA2 -0.390 3.424 3.960 -0.243 0.000 0.220 289 G HA3 -0.390 3.424 3.960 -0.243 0.000 0.220 289 G C 1.278 176.199 174.900 0.035 0.000 1.145 289 G CA 1.422 46.549 45.100 0.045 0.000 0.761 289 G HN 0.744 nan 8.290 nan 0.000 0.571 290 E N 0.625 120.822 120.200 -0.005 0.000 2.031 290 E HA -0.118 4.086 4.350 -0.243 0.000 0.193 290 E C 2.363 178.934 176.600 -0.048 0.000 0.994 290 E CA 1.602 57.994 56.400 -0.014 0.000 0.800 290 E CB -0.299 29.382 29.700 -0.033 0.000 0.752 290 E HN 0.301 nan 8.360 nan 0.000 0.447 291 K N -0.235 120.085 120.400 -0.133 0.000 2.074 291 K HA -0.148 4.026 4.320 -0.243 0.000 0.209 291 K C 1.904 178.296 176.600 -0.346 0.000 1.048 291 K CA 1.340 57.425 56.287 -0.338 0.000 0.926 291 K CB -0.601 31.550 32.500 -0.581 0.000 0.713 291 K HN 0.171 nan 8.250 nan 0.000 0.444 292 L N -0.018 121.131 121.223 -0.124 0.000 2.027 292 L HA -0.107 4.088 4.340 -0.243 0.000 0.206 292 L C 2.204 179.069 176.870 -0.008 0.000 1.074 292 L CA 1.747 56.587 54.840 -0.001 0.000 0.745 292 L CB -1.198 40.926 42.059 0.109 0.000 0.898 292 L HN 0.306 nan 8.230 nan 0.000 0.433 293 Y N 0.254 120.506 120.300 -0.080 0.000 2.081 293 Y HA -0.326 4.095 4.550 -0.215 0.000 0.280 293 Y C 2.629 178.436 175.900 -0.155 0.000 1.163 293 Y CA 1.915 60.004 58.100 -0.020 0.000 1.135 293 Y CB -0.175 38.254 38.460 -0.052 0.000 0.970 293 Y HN 0.241 nan 8.280 nan 0.000 0.498 294 Q N 0.228 119.812 119.800 -0.360 0.000 1.993 294 Q HA -0.224 3.970 4.340 -0.243 0.000 0.202 294 Q C 2.292 177.908 176.000 -0.639 0.000 0.984 294 Q CA 2.017 57.361 55.803 -0.765 0.000 0.837 294 Q CB -0.681 27.269 28.738 -1.313 0.000 0.902 294 Q HN 0.538 nan 8.270 nan 0.000 0.423 295 E N 0.606 120.542 120.200 -0.439 0.000 2.153 295 E HA -0.119 4.085 4.350 -0.243 0.000 0.194 295 E C 1.773 178.351 176.600 -0.037 0.000 0.988 295 E CA 1.132 57.467 56.400 -0.109 0.000 0.811 295 E CB -0.175 29.541 29.700 0.027 0.000 0.746 295 E HN 0.376 nan 8.360 nan 0.000 0.466 296 A N 0.863 123.604 122.820 -0.131 0.000 1.835 296 A HA -0.234 3.941 4.320 -0.243 0.000 0.215 296 A C 2.154 179.690 177.584 -0.081 0.000 1.199 296 A CA 1.899 53.845 52.037 -0.153 0.000 0.615 296 A CB -0.683 18.110 19.000 -0.344 0.000 0.838 296 A HN 0.251 nan 8.150 nan 0.000 0.444 297 R N 0.125 120.528 120.500 -0.161 0.000 2.112 297 R HA -0.253 3.941 4.340 -0.243 0.000 0.242 297 R C 2.224 178.471 176.300 -0.089 0.000 1.137 297 R CA 2.355 58.318 56.100 -0.227 0.000 0.944 297 R CB -0.419 29.275 30.300 -1.010 0.000 0.857 297 R HN 0.504 nan 8.270 nan 0.000 0.435 298 K N 0.226 120.552 120.400 -0.122 0.000 2.160 298 K HA -0.157 4.017 4.320 -0.243 0.000 0.206 298 K C 1.970 178.760 176.600 0.318 0.000 1.047 298 K CA 1.888 58.219 56.287 0.074 0.000 0.930 298 K CB -0.105 32.431 32.500 0.060 0.000 0.720 298 K HN 0.359 nan 8.250 nan 0.000 0.450 299 I N 0.312 121.044 120.570 0.271 0.000 2.193 299 I HA -0.233 3.791 4.170 -0.243 0.000 0.240 299 I C 2.194 178.428 176.117 0.196 0.000 1.084 299 I CA 0.388 61.860 61.300 0.287 0.000 1.365 299 I CB -0.289 37.750 38.000 0.065 0.000 1.064 299 I HN 0.140 nan 8.210 nan 0.000 0.410 300 L N 1.542 122.854 121.223 0.149 0.000 2.089 300 L HA -0.183 4.012 4.340 -0.243 0.000 0.213 300 L C 2.332 179.358 176.870 0.260 0.000 1.079 300 L CA 2.199 57.133 54.840 0.156 0.000 0.758 300 L CB -1.209 40.945 42.059 0.157 0.000 0.891 300 L HN 0.258 nan 8.230 nan 0.000 0.433 301 G N -1.537 107.427 108.800 0.274 0.000 2.442 301 G HA2 -0.260 3.555 3.960 -0.243 0.000 0.219 301 G HA3 -0.260 3.555 3.960 -0.243 0.000 0.219 301 G C 1.601 176.654 174.900 0.255 0.000 1.141 301 G CA 0.857 46.132 45.100 0.292 0.000 0.763 301 G HN 0.633 nan 8.290 nan 0.000 0.554 302 A N 0.508 123.453 122.820 0.209 0.000 1.873 302 A HA 0.086 4.261 4.320 -0.243 0.000 0.215 302 A C 2.171 179.674 177.584 -0.136 0.000 1.186 302 A CA 1.506 53.507 52.037 -0.061 0.000 0.616 302 A CB -0.629 18.249 19.000 -0.203 0.000 0.823 302 A HN 0.439 nan 8.150 nan 0.000 0.442 303 F N 0.779 120.654 119.950 -0.126 0.000 2.091 303 F HA -0.246 4.138 4.527 -0.239 0.000 0.299 303 F C 1.995 177.826 175.800 0.051 0.000 1.103 303 F CA 2.078 60.025 58.000 -0.089 0.000 1.228 303 F CB -0.142 38.846 39.000 -0.020 0.000 0.984 303 F HN 0.202 nan 8.300 nan 0.000 0.477 304 I N 0.126 121.007 120.570 0.519 0.000 2.179 304 I HA -0.319 3.706 4.170 -0.243 0.000 0.242 304 I C 2.420 178.792 176.117 0.425 0.000 1.088 304 I CA 1.570 63.230 61.300 0.601 0.000 1.357 304 I CB -0.754 37.561 38.000 0.524 0.000 1.051 304 I HN 0.300 nan 8.210 nan 0.000 0.409 305 Q N 0.774 120.737 119.800 0.270 0.000 2.030 305 Q HA -0.214 3.980 4.340 -0.243 0.000 0.204 305 Q C 2.319 178.434 176.000 0.192 0.000 0.986 305 Q CA 1.790 57.758 55.803 0.275 0.000 0.843 305 Q CB -0.253 28.467 28.738 -0.029 0.000 0.904 305 Q HN 0.513 nan 8.270 nan 0.000 0.420 306 I N 0.843 121.278 120.570 -0.225 0.000 2.069 306 I HA -0.334 3.691 4.170 -0.243 0.000 0.237 306 I C 2.395 178.470 176.117 -0.071 0.000 1.053 306 I CA 1.297 62.420 61.300 -0.294 0.000 1.311 306 I CB -0.529 37.082 38.000 -0.649 0.000 1.030 306 I HN 0.233 nan 8.210 nan 0.000 0.398 307 I N 0.481 120.932 120.570 -0.199 0.000 2.264 307 I HA -0.286 3.738 4.170 -0.243 0.000 0.248 307 I C 2.595 178.669 176.117 -0.072 0.000 1.111 307 I CA 1.808 62.956 61.300 -0.252 0.000 1.382 307 I CB -0.925 36.721 38.000 -0.591 0.000 1.060 307 I HN 0.379 nan 8.210 nan 0.000 0.418 308 T N 0.943 115.632 114.554 0.224 0.000 2.643 308 T HA -0.155 4.050 4.350 -0.243 0.000 0.264 308 T C 1.631 176.514 174.700 0.305 0.000 1.045 308 T CA 1.545 63.891 62.100 0.410 0.000 1.155 308 T CB -0.336 68.940 68.868 0.680 0.000 0.863 308 T HN 0.107 nan 8.240 nan 0.000 0.420 309 F N 0.819 120.902 119.950 0.221 0.000 2.367 309 F HA 0.228 4.610 4.527 -0.242 0.000 0.298 309 F C 2.473 178.355 175.800 0.137 0.000 1.094 309 F CA 0.357 58.489 58.000 0.220 0.000 1.409 309 F CB -0.208 39.050 39.000 0.430 0.000 1.064 309 F HN -0.022 nan 8.300 nan 0.000 0.528 310 R N 0.171 120.809 120.500 0.231 0.000 2.062 310 R HA -0.030 4.164 4.340 -0.243 0.000 0.218 310 R C 1.097 177.403 176.300 0.010 0.000 1.161 310 R CA 1.421 57.587 56.100 0.110 0.000 0.994 310 R CB -0.093 30.240 30.300 0.054 0.000 0.888 310 R HN 0.057 nan 8.270 nan 0.000 0.442 311 D N -0.837 119.536 120.400 -0.045 0.000 2.367 311 D HA -0.044 4.451 4.640 -0.243 0.000 0.207 311 D C 0.872 176.989 176.300 -0.305 0.000 1.034 311 D CA 0.492 54.433 54.000 -0.098 0.000 0.861 311 D CB 0.256 41.070 40.800 0.024 0.000 0.943 311 D HN 0.247 nan 8.370 nan 0.000 0.515 312 Y N 0.842 120.876 120.300 -0.443 0.000 2.382 312 Y HA 0.201 4.607 4.550 -0.240 0.000 0.292 312 Y C 1.935 177.691 175.900 -0.240 0.000 1.151 312 Y CA 0.476 58.270 58.100 -0.511 0.000 1.198 312 Y CB -0.198 38.013 38.460 -0.414 0.000 1.195 312 Y HN -0.236 nan 8.280 nan 0.000 0.530 313 L N 1.639 122.705 121.223 -0.263 0.000 2.083 313 L HA -0.107 4.088 4.340 -0.243 0.000 0.209 313 L C -0.642 176.084 176.870 -0.240 0.000 1.083 313 L CA 1.109 55.737 54.840 -0.353 0.000 0.752 313 L CB -1.705 40.094 42.059 -0.433 0.000 0.899 313 L HN 0.232 nan 8.230 nan 0.000 0.433 314 P HA -0.145 nan 4.420 nan 0.000 0.221 314 P C 1.444 178.675 177.300 -0.115 0.000 1.150 314 P CA 1.314 64.354 63.100 -0.101 0.000 0.800 314 P CB -0.129 31.541 31.700 -0.051 0.000 0.787 315 I N -4.463 116.010 120.570 -0.161 0.000 3.749 315 I HA 0.086 4.110 4.170 -0.243 0.000 0.314 315 I C 1.216 177.243 176.117 -0.150 0.000 1.267 315 I CA 0.076 61.282 61.300 -0.158 0.000 1.169 315 I CB -0.227 37.657 38.000 -0.193 0.000 1.009 315 I HN -0.263 nan 8.210 nan 0.000 0.444 316 V N 0.043 119.860 119.914 -0.161 0.000 2.950 316 V HA 0.085 4.060 4.120 -0.243 0.000 0.231 316 V C 1.828 177.859 176.094 -0.104 0.000 1.205 316 V CA 0.337 62.562 62.300 -0.125 0.000 1.239 316 V CB 0.132 31.832 31.823 -0.205 0.000 1.050 316 V HN 0.239 nan 8.190 nan 0.000 0.498 317 L N 1.263 122.435 121.223 -0.085 0.000 2.456 317 L HA 0.255 4.449 4.340 -0.243 0.000 0.224 317 L C 1.732 178.602 176.870 -0.001 0.000 1.148 317 L CA 1.669 56.504 54.840 -0.009 0.000 0.825 317 L CB -1.629 40.458 42.059 0.046 0.000 0.937 317 L HN 0.523 nan 8.230 nan 0.000 0.450 318 G N -0.335 108.441 108.800 -0.039 0.000 2.651 318 G HA2 -0.456 3.358 3.960 -0.243 0.000 0.315 318 G HA3 -0.456 3.358 3.960 -0.243 0.000 0.315 318 G C 1.232 176.124 174.900 -0.013 0.000 1.258 318 G CA 1.211 46.290 45.100 -0.034 0.000 1.002 318 G HN 0.414 nan 8.290 nan 0.000 0.551 319 S N 0.169 115.863 115.700 -0.009 0.000 2.428 319 S HA 0.049 4.373 4.470 -0.243 0.000 0.230 319 S C 1.744 176.344 174.600 0.001 0.000 1.014 319 S CA 1.729 59.924 58.200 -0.008 0.000 0.957 319 S CB -0.045 63.146 63.200 -0.015 0.000 0.784 319 S HN 0.606 nan 8.310 nan 0.000 0.499 320 E N 1.331 121.550 120.200 0.032 0.000 2.265 320 E HA -0.100 4.104 4.350 -0.243 0.000 0.196 320 E C 1.704 178.371 176.600 0.113 0.000 0.996 320 E CA 0.778 57.221 56.400 0.072 0.000 0.832 320 E CB -0.449 29.367 29.700 0.194 0.000 0.756 320 E HN 0.646 nan 8.360 nan 0.000 0.491 321 M N 0.898 120.562 119.600 0.107 0.000 2.113 321 M HA -0.307 4.027 4.480 -0.243 0.000 0.255 321 M C 2.124 178.485 176.300 0.102 0.000 1.073 321 M CA 1.804 57.177 55.300 0.122 0.000 1.091 321 M CB -0.091 32.540 32.600 0.052 0.000 1.309 321 M HN -0.035 nan 8.290 nan 0.000 0.407 322 Q N -0.523 119.294 119.800 0.029 0.000 2.291 322 Q HA -0.184 4.011 4.340 -0.243 0.000 0.206 322 Q C 1.825 177.780 176.000 -0.075 0.000 0.976 322 Q CA 1.239 57.041 55.803 -0.001 0.000 0.875 322 Q CB -0.069 28.659 28.738 -0.018 0.000 0.927 322 Q HN 0.573 nan 8.270 nan 0.000 0.450 323 K N -1.271 119.010 120.400 -0.198 0.000 2.432 323 K HA -0.106 4.068 4.320 -0.243 0.000 0.196 323 K C 0.754 176.958 176.600 -0.660 0.000 1.038 323 K CA 0.595 56.590 56.287 -0.487 0.000 0.986 323 K CB 0.271 32.356 32.500 -0.691 0.000 0.782 323 K HN 0.253 nan 8.250 nan 0.000 0.485 324 W N -0.759 120.555 121.300 0.022 0.000 3.520 324 W HA 0.295 4.809 4.660 -0.244 0.000 0.223 324 W C 0.189 176.739 176.519 0.051 0.000 1.110 324 W CA -0.537 56.828 57.345 0.034 0.000 1.552 324 W CB 0.823 30.316 29.460 0.055 0.000 0.775 324 W HN -0.242 nan 8.180 nan 0.000 0.794 325 I N 2.262 123.009 120.570 0.295 0.000 2.479 325 I HA 0.258 4.282 4.170 -0.243 0.000 0.279 325 I C -2.375 173.842 176.117 0.167 0.000 1.102 325 I CA -1.740 59.698 61.300 0.230 0.000 1.196 325 I CB 0.431 38.566 38.000 0.225 0.000 1.427 325 I HN -0.493 nan 8.210 nan 0.000 0.503 326 P HA 0.181 nan 4.420 nan 0.000 0.271 326 P C -2.284 175.095 177.300 0.131 0.000 1.233 326 P CA -0.738 62.419 63.100 0.094 0.000 0.789 326 P CB -0.074 31.663 31.700 0.062 0.000 0.951 327 P HA -0.053 nan 4.420 nan 0.000 0.271 327 P C -0.870 176.544 177.300 0.191 0.000 1.238 327 P CA 0.165 63.362 63.100 0.163 0.000 0.794 327 P CB 0.107 31.878 31.700 0.119 0.000 0.959 328 Y N 1.591 121.947 120.300 0.092 0.000 2.486 328 Y HA 0.062 4.469 4.550 -0.238 0.000 0.348 328 Y C 0.955 176.881 175.900 0.043 0.000 1.000 328 Y CA 0.386 58.526 58.100 0.066 0.000 1.253 328 Y CB 0.243 38.779 38.460 0.127 0.000 1.140 328 Y HN 0.257 nan 8.280 nan 0.000 0.526 329 Q N 5.078 124.642 119.800 -0.393 0.000 2.220 329 Q HA 0.315 4.509 4.340 -0.243 0.000 0.205 329 Q C 0.536 176.196 176.000 -0.566 0.000 0.865 329 Q CA 0.492 56.063 55.803 -0.386 0.000 0.960 329 Q CB 0.500 29.131 28.738 -0.178 0.000 1.097 329 Q HN 1.010 nan 8.270 nan 0.000 0.493 330 G N 1.233 109.321 108.800 -1.187 0.000 2.629 330 G HA2 -0.249 3.566 3.960 -0.243 0.000 0.686 330 G HA3 -0.249 3.566 3.960 -0.243 0.000 0.686 330 G C -1.043 173.773 174.900 -0.139 0.000 1.232 330 G CA -0.906 43.788 45.100 -0.677 0.000 0.803 330 G HN 0.218 nan 8.290 nan 0.000 0.638 331 Y N 1.563 121.871 120.300 0.014 0.000 2.811 331 Y HA 0.349 4.754 4.550 -0.242 0.000 0.334 331 Y C 0.580 176.489 175.900 0.015 0.000 1.247 331 Y CA 0.848 58.994 58.100 0.078 0.000 1.526 331 Y CB 0.660 39.165 38.460 0.075 0.000 1.284 331 Y HN 0.685 nan 8.280 nan 0.000 0.586 332 N N 5.730 124.112 118.700 -0.529 0.000 2.576 332 N HA 0.036 4.631 4.740 -0.243 0.000 0.269 332 N C 0.401 175.492 175.510 -0.698 0.000 1.058 332 N CA -0.340 52.442 53.050 -0.448 0.000 0.860 332 N CB 0.341 38.696 38.487 -0.220 0.000 1.249 332 N HN 0.965 nan 8.380 nan 0.000 0.525 333 N N 1.845 120.181 118.700 -0.607 0.000 2.258 333 N HA -0.196 4.398 4.740 -0.243 0.000 0.187 333 N C 0.575 175.990 175.510 -0.158 0.000 1.012 333 N CA 1.582 54.430 53.050 -0.337 0.000 0.870 333 N CB -0.025 38.474 38.487 0.020 0.000 0.977 333 N HN 0.401 nan 8.380 nan 0.000 0.434 334 S N -0.397 115.222 115.700 -0.135 0.000 2.603 334 S HA 0.174 4.498 4.470 -0.243 0.000 0.220 334 S C 0.802 175.363 174.600 -0.065 0.000 0.967 334 S CA -0.515 57.644 58.200 -0.069 0.000 0.920 334 S CB -0.035 63.133 63.200 -0.054 0.000 0.773 334 S HN 0.089 nan 8.310 nan 0.000 0.529 335 V N 2.974 122.828 119.914 -0.100 0.000 2.546 335 V HA 0.267 4.241 4.120 -0.243 0.000 0.284 335 V C -0.054 176.036 176.094 -0.007 0.000 1.050 335 V CA -0.600 61.664 62.300 -0.059 0.000 0.981 335 V CB 1.271 33.049 31.823 -0.075 0.000 0.990 335 V HN 0.308 nan 8.190 nan 0.000 0.474 336 D N 7.080 127.490 120.400 0.017 0.000 2.365 336 D HA 0.260 4.755 4.640 -0.243 0.000 0.237 336 D C -1.313 175.014 176.300 0.044 0.000 1.190 336 D CA -2.012 52.020 54.000 0.053 0.000 0.867 336 D CB 1.613 42.460 40.800 0.077 0.000 1.050 336 D HN 0.275 nan 8.370 nan 0.000 0.491 337 P HA 0.009 nan 4.420 nan 0.000 0.249 337 P C 0.083 177.278 177.300 -0.176 0.000 1.229 337 P CA -0.020 63.048 63.100 -0.053 0.000 0.788 337 P CB 0.422 32.121 31.700 -0.002 0.000 1.072 338 R N 0.281 120.719 120.500 -0.104 0.000 2.734 338 R HA 0.190 4.384 4.340 -0.243 0.000 0.266 338 R C 0.625 176.831 176.300 -0.157 0.000 1.044 338 R CA -0.403 55.619 56.100 -0.131 0.000 1.128 338 R CB 0.286 30.567 30.300 -0.031 0.000 1.010 338 R HN 0.025 nan 8.270 nan 0.000 0.461 339 I N 2.078 122.517 120.570 -0.218 0.000 2.416 339 I HA 0.012 4.037 4.170 -0.243 0.000 0.288 339 I C 0.983 176.929 176.117 -0.285 0.000 1.051 339 I CA 0.166 61.277 61.300 -0.315 0.000 1.375 339 I CB 0.836 38.680 38.000 -0.260 0.000 1.407 339 I HN 0.697 nan 8.210 nan 0.000 0.516 340 S N 5.217 120.613 115.700 -0.507 0.000 2.632 340 S HA 0.176 4.500 4.470 -0.243 0.000 0.267 340 S C 1.041 175.421 174.600 -0.367 0.000 1.276 340 S CA -0.566 57.233 58.200 -0.669 0.000 0.998 340 S CB 1.377 63.500 63.200 -1.795 0.000 0.953 340 S HN 0.638 nan 8.310 nan 0.000 0.547 341 N N 0.494 119.063 118.700 -0.218 0.000 2.120 341 N HA -0.123 4.472 4.740 -0.243 0.000 0.188 341 N C 1.672 177.213 175.510 0.052 0.000 1.024 341 N CA 1.371 54.437 53.050 0.027 0.000 0.852 341 N CB -0.703 37.880 38.487 0.160 0.000 1.003 341 N HN 0.519 nan 8.380 nan 0.000 0.424 342 V N 0.693 120.510 119.914 -0.161 0.000 2.407 342 V HA -0.186 3.788 4.120 -0.243 0.000 0.248 342 V C 2.100 178.080 176.094 -0.191 0.000 1.055 342 V CA 1.533 63.689 62.300 -0.239 0.000 1.049 342 V CB -0.760 30.578 31.823 -0.810 0.000 0.662 342 V HN 0.294 nan 8.190 nan 0.000 0.455 343 F N 1.740 121.405 119.950 -0.475 0.000 2.154 343 F HA -0.253 4.128 4.527 -0.244 0.000 0.301 343 F C 2.663 178.342 175.800 -0.200 0.000 1.087 343 F CA 2.471 60.253 58.000 -0.363 0.000 1.274 343 F CB -0.705 38.006 39.000 -0.481 0.000 1.009 343 F HN 0.375 nan 8.300 nan 0.000 0.485 344 T N -1.999 112.521 114.554 -0.057 0.000 2.929 344 T HA -0.219 3.985 4.350 -0.243 0.000 0.271 344 T C 1.656 176.093 174.700 -0.438 0.000 1.085 344 T CA 1.613 63.580 62.100 -0.222 0.000 1.125 344 T CB -0.970 67.733 68.868 -0.274 0.000 0.874 344 T HN 0.325 nan 8.240 nan 0.000 0.494 345 F N 0.767 120.616 119.950 -0.170 0.000 2.582 345 F HA 0.564 4.946 4.527 -0.241 0.000 0.290 345 F C 2.723 178.495 175.800 -0.046 0.000 1.115 345 F CA 0.070 58.000 58.000 -0.118 0.000 1.445 345 F CB -0.317 38.621 39.000 -0.104 0.000 1.126 345 F HN 0.224 nan 8.300 nan 0.000 0.574 346 A N -0.459 122.364 122.820 0.005 0.000 2.014 346 A HA -0.161 4.013 4.320 -0.243 0.000 0.218 346 A C 1.826 179.465 177.584 0.092 0.000 1.163 346 A CA 1.067 53.109 52.037 0.010 0.000 0.652 346 A CB -0.944 17.983 19.000 -0.120 0.000 0.808 346 A HN 0.344 nan 8.150 nan 0.000 0.449 347 F N 0.903 120.589 119.950 -0.440 0.000 2.710 347 F HA 0.090 4.470 4.527 -0.245 0.000 0.298 347 F C 1.873 177.314 175.800 -0.599 0.000 1.137 347 F CA 0.079 57.748 58.000 -0.552 0.000 1.444 347 F CB -0.151 38.392 39.000 -0.760 0.000 1.111 347 F HN 0.198 nan 8.300 nan 0.000 0.580 348 R N 0.099 120.417 120.500 -0.303 0.000 2.346 348 R HA -0.127 4.067 4.340 -0.243 0.000 0.199 348 R C 1.828 177.984 176.300 -0.241 0.000 1.015 348 R CA 0.668 56.436 56.100 -0.553 0.000 1.058 348 R CB -1.101 28.953 30.300 -0.409 0.000 0.921 348 R HN 0.419 nan 8.270 nan 0.000 0.475 349 F N -0.443 119.480 119.950 -0.044 0.000 2.293 349 F HA 0.128 4.509 4.527 -0.243 0.000 0.300 349 F C 1.962 177.749 175.800 -0.022 0.000 1.086 349 F CA 0.576 58.579 58.000 0.004 0.000 1.375 349 F CB -1.060 37.931 39.000 -0.014 0.000 1.045 349 F HN -0.126 nan 8.300 nan 0.000 0.516 350 G N -0.184 108.121 108.800 -0.825 0.000 2.501 350 G HA2 -0.261 3.553 3.960 -0.243 0.000 0.220 350 G HA3 -0.261 3.553 3.960 -0.243 0.000 0.220 350 G C 1.260 176.136 174.900 -0.040 0.000 1.114 350 G CA 1.024 45.797 45.100 -0.545 0.000 0.757 350 G HN 0.646 nan 8.290 nan 0.000 0.559 351 H N -0.447 118.618 119.070 -0.009 0.000 2.524 351 H HA 0.118 4.528 4.556 -0.243 0.000 0.282 351 H C 2.210 177.648 175.328 0.183 0.000 1.016 351 H CA 0.447 56.557 56.048 0.104 0.000 1.270 351 H CB 0.114 29.995 29.762 0.199 0.000 1.394 351 H HN 0.360 nan 8.280 nan 0.000 0.568 352 M N 0.122 119.914 119.600 0.320 0.000 2.495 352 M HA 0.024 4.358 4.480 -0.243 0.000 0.237 352 M C 0.504 176.939 176.300 0.226 0.000 1.131 352 M CA 0.796 56.255 55.300 0.264 0.000 1.032 352 M CB 0.322 33.046 32.600 0.207 0.000 1.513 352 M HN 0.304 nan 8.290 nan 0.000 0.488 353 E N 0.817 121.146 120.200 0.214 0.000 2.476 353 E HA 0.151 4.355 4.350 -0.243 0.000 0.196 353 E C -0.086 176.617 176.600 0.170 0.000 1.029 353 E CA -0.092 56.430 56.400 0.204 0.000 0.896 353 E CB 0.771 30.596 29.700 0.207 0.000 1.012 353 E HN 0.176 nan 8.360 nan 0.000 0.475 354 V N 4.966 124.977 119.914 0.162 0.000 2.432 354 V HA 0.144 4.119 4.120 -0.243 0.000 0.271 354 V C -1.692 174.494 176.094 0.153 0.000 1.046 354 V CA -1.523 60.860 62.300 0.138 0.000 0.945 354 V CB 0.633 32.530 31.823 0.122 0.000 0.992 354 V HN 0.070 nan 8.190 nan 0.000 0.471 355 P HA 0.174 nan 4.420 nan 0.000 0.277 355 P C 0.604 177.977 177.300 0.121 0.000 1.271 355 P CA -0.377 62.804 63.100 0.135 0.000 0.795 355 P CB 0.962 32.731 31.700 0.115 0.000 1.101 356 S N -1.955 113.815 115.700 0.117 0.000 2.527 356 S HA 0.072 4.397 4.470 -0.243 0.000 0.222 356 S C 0.883 175.520 174.600 0.062 0.000 0.985 356 S CA 0.461 58.718 58.200 0.096 0.000 0.921 356 S CB -0.953 62.307 63.200 0.100 0.000 0.772 356 S HN 0.784 nan 8.310 nan 0.000 0.529 357 T N -1.558 113.027 114.554 0.051 0.000 2.868 357 T HA 0.670 4.875 4.350 -0.243 0.000 0.306 357 T C -1.131 173.577 174.700 0.013 0.000 1.224 357 T CA -0.819 61.291 62.100 0.018 0.000 1.012 357 T CB 1.689 70.570 68.868 0.021 0.000 1.221 357 T HN -0.060 nan 8.240 nan 0.000 0.499 358 V N 1.765 121.669 119.914 -0.016 0.000 2.459 358 V HA 0.674 4.649 4.120 -0.243 0.000 0.295 358 V C 0.285 176.372 176.094 -0.011 0.000 1.029 358 V CA -0.583 61.707 62.300 -0.017 0.000 0.874 358 V CB 1.674 33.467 31.823 -0.050 0.000 0.985 358 V HN 1.087 nan 8.190 nan 0.000 0.438 359 S N 3.523 119.228 115.700 0.008 0.000 2.608 359 S HA 0.749 5.073 4.470 -0.243 0.000 0.291 359 S C -0.361 174.241 174.600 0.003 0.000 1.146 359 S CA -0.691 57.522 58.200 0.022 0.000 1.043 359 S CB 1.165 64.393 63.200 0.046 0.000 1.037 359 S HN 0.688 nan 8.310 nan 0.000 0.520 360 R N 1.802 122.318 120.500 0.026 0.000 2.480 360 R HA 0.619 4.814 4.340 -0.243 0.000 0.306 360 R C -1.206 175.134 176.300 0.068 0.000 0.958 360 R CA -0.280 55.806 56.100 -0.025 0.000 0.861 360 R CB 1.085 31.376 30.300 -0.015 0.000 1.171 360 R HN 0.465 nan 8.270 nan 0.000 0.445 361 L N 2.010 123.203 121.223 -0.050 0.000 2.354 361 L HA 0.557 4.751 4.340 -0.243 0.000 0.269 361 L C -0.190 176.695 176.870 0.024 0.000 1.005 361 L CA -1.264 53.594 54.840 0.029 0.000 0.819 361 L CB 1.888 43.935 42.059 -0.020 0.000 1.311 361 L HN 0.653 nan 8.230 nan 0.000 0.423 362 D N -0.325 120.210 120.400 0.225 0.000 2.478 362 D HA 0.079 4.574 4.640 -0.243 0.000 0.269 362 D C 0.934 177.160 176.300 -0.124 0.000 1.232 362 D CA -0.551 53.592 54.000 0.240 0.000 1.059 362 D CB 0.518 41.464 40.800 0.243 0.000 1.104 362 D HN 0.635 nan 8.370 nan 0.000 0.566 363 E N 0.184 120.327 120.200 -0.096 0.000 2.130 363 E HA -0.293 3.912 4.350 -0.243 0.000 0.196 363 E C 0.105 176.564 176.600 -0.235 0.000 0.998 363 E CA 1.341 57.623 56.400 -0.197 0.000 0.806 363 E CB -0.976 28.682 29.700 -0.070 0.000 0.738 363 E HN 0.560 nan 8.360 nan 0.000 0.459 364 N N 0.530 119.175 118.700 -0.092 0.000 2.802 364 N HA 0.104 4.698 4.740 -0.243 0.000 0.288 364 N C -1.053 174.396 175.510 -0.102 0.000 1.268 364 N CA -0.279 52.792 53.050 0.035 0.000 1.035 364 N CB -0.401 38.191 38.487 0.175 0.000 1.353 364 N HN 0.097 nan 8.380 nan 0.000 0.522 365 Y N -0.010 119.995 120.300 -0.492 0.000 2.968 365 Y HA -0.311 4.092 4.550 -0.244 0.000 0.215 365 Y C 0.130 175.926 175.900 -0.173 0.000 1.150 365 Y CA 0.530 58.353 58.100 -0.462 0.000 1.044 365 Y CB -1.328 36.562 38.460 -0.950 0.000 1.216 365 Y HN 0.416 nan 8.280 nan 0.000 0.537 366 Q N -0.163 119.656 119.800 0.031 0.000 2.301 366 Q HA 0.410 4.604 4.340 -0.243 0.000 0.267 366 Q C -2.263 173.795 176.000 0.097 0.000 1.035 366 Q CA -2.539 53.308 55.803 0.073 0.000 0.856 366 Q CB 1.397 30.175 28.738 0.066 0.000 1.337 366 Q HN -0.092 nan 8.270 nan 0.000 0.450 367 P HA -0.141 nan 4.420 nan 0.000 0.252 367 P C -0.120 177.261 177.300 0.136 0.000 1.147 367 P CA 0.498 63.663 63.100 0.107 0.000 0.779 367 P CB 0.030 31.770 31.700 0.068 0.000 0.733 368 W N 5.368 126.657 121.300 -0.019 0.000 3.230 368 W HA 0.153 4.670 4.660 -0.240 0.000 0.271 368 W C 1.095 177.608 176.519 -0.010 0.000 1.344 368 W CA 1.890 59.222 57.345 -0.022 0.000 1.425 368 W CB -0.798 28.647 29.460 -0.025 0.000 1.059 368 W HN 0.626 nan 8.180 nan 0.000 0.724 369 G N -1.170 107.573 108.800 -0.094 0.000 2.541 369 G HA2 -0.216 3.598 3.960 -0.243 0.000 0.686 369 G HA3 -0.216 3.598 3.960 -0.243 0.000 0.686 369 G C -1.199 173.671 174.900 -0.050 0.000 1.286 369 G CA -0.787 44.217 45.100 -0.160 0.000 0.894 369 G HN -0.045 nan 8.290 nan 0.000 0.575 370 P HA -0.181 nan 4.420 nan 0.000 0.224 370 P C 0.983 178.292 177.300 0.015 0.000 1.130 370 P CA 2.257 65.348 63.100 -0.015 0.000 0.976 370 P CB 0.016 31.702 31.700 -0.023 0.000 0.781 371 E N -2.135 118.084 120.200 0.032 0.000 2.651 371 E HA 0.340 4.544 4.350 -0.243 0.000 0.213 371 E C 1.242 177.888 176.600 0.076 0.000 1.028 371 E CA -0.201 56.227 56.400 0.048 0.000 1.183 371 E CB -0.055 29.673 29.700 0.047 0.000 1.188 371 E HN 0.128 nan 8.360 nan 0.000 0.444 372 A N 1.419 124.298 122.820 0.099 0.000 2.076 372 A HA -0.192 3.982 4.320 -0.243 0.000 0.220 372 A C 1.166 178.804 177.584 0.090 0.000 1.160 372 A CA 1.110 53.238 52.037 0.151 0.000 0.653 372 A CB -0.140 18.963 19.000 0.171 0.000 0.801 372 A HN 0.360 nan 8.150 nan 0.000 0.455 373 E N -0.322 119.911 120.200 0.055 0.000 2.165 373 E HA 0.591 4.796 4.350 -0.243 0.000 0.266 373 E C -1.271 175.332 176.600 0.005 0.000 0.889 373 E CA -0.610 55.808 56.400 0.030 0.000 0.756 373 E CB 0.768 30.490 29.700 0.037 0.000 1.131 373 E HN 0.314 nan 8.360 nan 0.000 0.411 374 L N 5.472 126.681 121.223 -0.024 0.000 2.354 374 L HA 0.612 4.806 4.340 -0.243 0.000 0.269 374 L C -2.191 174.635 176.870 -0.074 0.000 1.005 374 L CA -2.548 52.255 54.840 -0.060 0.000 0.819 374 L CB 2.139 44.135 42.059 -0.105 0.000 1.311 374 L HN 0.559 nan 8.230 nan 0.000 0.423 375 P HA 0.069 nan 4.420 nan 0.000 0.279 375 P C 0.848 178.052 177.300 -0.159 0.000 1.239 375 P CA -0.384 62.678 63.100 -0.064 0.000 0.789 375 P CB 1.588 33.290 31.700 0.003 0.000 0.933 376 L N 2.693 123.854 121.223 -0.104 0.000 2.034 376 L HA -0.255 3.939 4.340 -0.243 0.000 0.217 376 L C 2.681 179.238 176.870 -0.523 0.000 1.077 376 L CA 2.042 56.759 54.840 -0.205 0.000 0.769 376 L CB -0.882 41.141 42.059 -0.060 0.000 0.890 376 L HN 0.649 nan 8.230 nan 0.000 0.435 377 H N -1.294 117.491 119.070 -0.474 0.000 2.489 377 H HA -0.131 4.279 4.556 -0.243 0.000 0.295 377 H C 1.665 176.719 175.328 -0.457 0.000 1.082 377 H CA 1.560 57.173 56.048 -0.725 0.000 1.295 377 H CB -0.717 29.018 29.762 -0.045 0.000 1.380 377 H HN 0.465 nan 8.280 nan 0.000 0.548 378 T N -1.058 113.033 114.554 -0.772 0.000 3.194 378 T HA 0.169 4.373 4.350 -0.243 0.000 0.251 378 T C 1.636 176.150 174.700 -0.309 0.000 1.132 378 T CA 0.057 61.876 62.100 -0.467 0.000 1.028 378 T CB -0.328 68.292 68.868 -0.413 0.000 0.976 378 T HN 0.388 nan 8.240 nan 0.000 0.535 379 L N -0.902 120.069 121.223 -0.420 0.000 2.858 379 L HA 0.453 4.647 4.340 -0.243 0.000 0.251 379 L C -0.240 176.519 176.870 -0.185 0.000 1.149 379 L CA -0.581 54.082 54.840 -0.294 0.000 0.955 379 L CB -0.052 41.845 42.059 -0.269 0.000 1.289 379 L HN 0.152 nan 8.230 nan 0.000 0.542 380 F N 1.042 120.951 119.950 -0.068 0.000 2.578 380 F HA 0.124 4.504 4.527 -0.244 0.000 0.381 380 F C 0.739 176.457 175.800 -0.137 0.000 1.069 380 F CA -0.617 57.275 58.000 -0.180 0.000 1.231 380 F CB -0.647 38.327 39.000 -0.042 0.000 1.086 380 F HN -0.043 nan 8.300 nan 0.000 0.564 381 F N 0.675 120.730 119.950 0.175 0.000 3.067 381 F HA -0.315 4.066 4.527 -0.243 0.000 0.279 381 F C 0.535 176.351 175.800 0.026 0.000 0.945 381 F CA 0.223 58.277 58.000 0.091 0.000 0.948 381 F CB -1.444 37.623 39.000 0.112 0.000 0.898 381 F HN 0.513 nan 8.300 nan 0.000 0.746 382 N N 0.650 119.390 118.700 0.066 0.000 2.546 382 N HA 0.255 4.849 4.740 -0.243 0.000 0.238 382 N C 0.999 176.478 175.510 -0.052 0.000 0.984 382 N CA 0.671 53.710 53.050 -0.019 0.000 0.935 382 N CB 1.096 39.487 38.487 -0.159 0.000 1.122 382 N HN 0.311 nan 8.380 nan 0.000 0.510 383 T N -0.214 114.335 114.554 -0.007 0.000 3.034 383 T HA 0.006 4.211 4.350 -0.243 0.000 0.248 383 T C 1.850 176.560 174.700 0.017 0.000 1.040 383 T CA -0.315 61.758 62.100 -0.044 0.000 1.107 383 T CB -0.357 68.368 68.868 -0.238 0.000 0.932 383 T HN 0.643 nan 8.240 nan 0.000 0.474 384 W N 2.413 123.700 121.300 -0.022 0.000 2.421 384 W HA 0.039 4.554 4.660 -0.242 0.000 0.270 384 W C 1.517 178.045 176.519 0.015 0.000 1.233 384 W CA -0.013 57.330 57.345 -0.003 0.000 1.226 384 W CB -0.668 28.783 29.460 -0.015 0.000 1.121 384 W HN 0.078 nan 8.180 nan 0.000 0.579 385 R N 1.172 121.285 120.500 -0.645 0.000 2.075 385 R HA -0.073 4.121 4.340 -0.243 0.000 0.232 385 R C 2.218 178.387 176.300 -0.218 0.000 1.126 385 R CA 1.616 57.331 56.100 -0.641 0.000 0.963 385 R CB -0.935 28.956 30.300 -0.682 0.000 0.858 385 R HN 0.381 nan 8.270 nan 0.000 0.435 386 I N 0.252 120.741 120.570 -0.135 0.000 2.090 386 I HA -0.279 3.745 4.170 -0.243 0.000 0.236 386 I C 2.290 178.416 176.117 0.014 0.000 1.064 386 I CA 1.085 62.350 61.300 -0.058 0.000 1.324 386 I CB -0.450 37.530 38.000 -0.033 0.000 1.044 386 I HN -0.025 nan 8.210 nan 0.000 0.399 387 I N 0.948 121.533 120.570 0.025 0.000 2.118 387 I HA -0.294 3.731 4.170 -0.243 0.000 0.241 387 I C 1.666 177.900 176.117 0.195 0.000 1.070 387 I CA 1.967 63.329 61.300 0.105 0.000 1.327 387 I CB -0.256 37.832 38.000 0.148 0.000 1.034 387 I HN 0.109 nan 8.210 nan 0.000 0.405 388 K N -0.550 119.985 120.400 0.224 0.000 2.576 388 K HA 0.163 4.337 4.320 -0.243 0.000 0.209 388 K C -0.263 176.493 176.600 0.261 0.000 1.049 388 K CA 0.198 56.643 56.287 0.263 0.000 1.140 388 K CB 0.350 33.051 32.500 0.335 0.000 0.871 388 K HN 0.071 nan 8.250 nan 0.000 0.479 389 D N -0.643 119.868 120.400 0.186 0.000 3.118 389 D HA 0.175 4.669 4.640 -0.243 0.000 0.352 389 D C 0.582 176.968 176.300 0.143 0.000 1.498 389 D CA 0.425 54.552 54.000 0.211 0.000 0.759 389 D CB 0.344 41.209 40.800 0.108 0.000 1.251 389 D HN 0.178 nan 8.370 nan 0.000 0.504 390 G N -0.642 108.247 108.800 0.148 0.000 2.352 390 G HA2 0.170 3.984 3.960 -0.243 0.000 0.204 390 G HA3 0.170 3.984 3.960 -0.243 0.000 0.204 390 G C 1.133 176.001 174.900 -0.052 0.000 1.004 390 G CA 0.442 45.508 45.100 -0.055 0.000 0.648 390 G HN 1.327 nan 8.290 nan 0.000 0.491 391 G N 0.161 108.939 108.800 -0.037 0.000 2.545 391 G HA2 0.035 3.850 3.960 -0.243 0.000 0.240 391 G HA3 0.035 3.850 3.960 -0.243 0.000 0.240 391 G C 0.995 175.870 174.900 -0.041 0.000 1.172 391 G CA 1.438 46.545 45.100 0.011 0.000 0.949 391 G HN 1.819 nan 8.290 nan 0.000 0.574 392 I N -2.804 117.747 120.570 -0.032 0.000 4.456 392 I HA 0.394 4.418 4.170 -0.243 0.000 0.329 392 I C 1.400 177.463 176.117 -0.090 0.000 1.313 392 I CA 1.042 62.304 61.300 -0.063 0.000 1.205 392 I CB 0.358 38.341 38.000 -0.027 0.000 1.179 392 I HN 0.234 nan 8.210 nan 0.000 0.419 393 D N 3.897 124.255 120.400 -0.070 0.000 2.104 393 D HA -0.111 4.383 4.640 -0.243 0.000 0.194 393 D C -0.401 175.783 176.300 -0.193 0.000 0.994 393 D CA 2.074 56.022 54.000 -0.086 0.000 0.830 393 D CB -1.629 39.158 40.800 -0.022 0.000 0.959 393 D HN 0.356 nan 8.370 nan 0.000 0.452 394 P HA -0.121 nan 4.420 nan 0.000 0.216 394 P C 1.972 179.088 177.300 -0.307 0.000 1.150 394 P CA 0.963 63.758 63.100 -0.509 0.000 0.837 394 P CB 0.048 31.077 31.700 -1.119 0.000 0.786 395 L N -0.729 120.351 121.223 -0.239 0.000 2.044 395 L HA -0.104 4.090 4.340 -0.243 0.000 0.205 395 L C 2.773 179.611 176.870 -0.054 0.000 1.075 395 L CA 1.153 55.913 54.840 -0.133 0.000 0.747 395 L CB -0.894 41.096 42.059 -0.116 0.000 0.903 395 L HN -0.191 nan 8.230 nan 0.000 0.435 396 V N -0.329 119.562 119.914 -0.038 0.000 2.407 396 V HA -0.260 3.715 4.120 -0.243 0.000 0.248 396 V C 2.552 178.692 176.094 0.077 0.000 1.055 396 V CA 1.561 63.881 62.300 0.033 0.000 1.049 396 V CB -0.713 31.130 31.823 0.034 0.000 0.662 396 V HN 0.406 nan 8.190 nan 0.000 0.455 397 R N 0.260 120.779 120.500 0.031 0.000 2.081 397 R HA -0.118 4.076 4.340 -0.243 0.000 0.235 397 R C 2.521 178.947 176.300 0.209 0.000 1.131 397 R CA 1.462 57.648 56.100 0.144 0.000 0.960 397 R CB -0.909 29.290 30.300 -0.168 0.000 0.856 397 R HN 0.597 nan 8.270 nan 0.000 0.436 398 G N 1.805 110.657 108.800 0.085 0.000 2.514 398 G HA2 -0.275 3.539 3.960 -0.243 0.000 0.217 398 G HA3 -0.275 3.539 3.960 -0.243 0.000 0.217 398 G C 1.412 176.377 174.900 0.109 0.000 1.198 398 G CA 0.904 46.056 45.100 0.085 0.000 0.780 398 G HN 0.188 nan 8.290 nan 0.000 0.565 399 L N -0.135 121.145 121.223 0.095 0.000 2.263 399 L HA -0.066 4.128 4.340 -0.243 0.000 0.216 399 L C 2.740 179.675 176.870 0.108 0.000 1.111 399 L CA 0.471 55.367 54.840 0.092 0.000 0.773 399 L CB -0.382 41.725 42.059 0.080 0.000 0.906 399 L HN 0.206 nan 8.230 nan 0.000 0.439 400 L N -0.986 120.333 121.223 0.160 0.000 2.189 400 L HA 0.064 4.259 4.340 -0.243 0.000 0.199 400 L C 2.762 179.760 176.870 0.214 0.000 1.074 400 L CA 0.807 55.754 54.840 0.179 0.000 0.783 400 L CB -0.504 41.714 42.059 0.264 0.000 0.955 400 L HN 0.139 nan 8.230 nan 0.000 0.460 401 A N -0.631 122.329 122.820 0.233 0.000 2.014 401 A HA -0.017 4.157 4.320 -0.243 0.000 0.218 401 A C 1.100 178.759 177.584 0.126 0.000 1.163 401 A CA 0.900 53.032 52.037 0.159 0.000 0.652 401 A CB -0.104 18.931 19.000 0.058 0.000 0.808 401 A HN 0.065 nan 8.150 nan 0.000 0.449 402 K N 0.629 121.102 120.400 0.122 0.000 2.090 402 K HA 0.483 4.657 4.320 -0.243 0.000 0.250 402 K C -0.444 176.221 176.600 0.108 0.000 1.004 402 K CA -0.138 56.211 56.287 0.103 0.000 0.919 402 K CB 0.727 33.283 32.500 0.093 0.000 1.045 402 K HN 0.265 nan 8.250 nan 0.000 0.471 403 K N 0.301 120.763 120.400 0.103 0.000 2.221 403 K HA 0.383 4.557 4.320 -0.243 0.000 0.243 403 K C -0.051 176.632 176.600 0.137 0.000 0.968 403 K CA -0.637 55.718 56.287 0.113 0.000 0.846 403 K CB 1.578 34.132 32.500 0.091 0.000 1.141 403 K HN 0.384 nan 8.250 nan 0.000 0.434 404 S N 0.771 116.578 115.700 0.178 0.000 2.645 404 S HA 0.128 4.452 4.470 -0.243 0.000 0.266 404 S C -0.297 174.409 174.600 0.176 0.000 1.258 404 S CA -0.594 57.737 58.200 0.218 0.000 0.990 404 S CB 0.671 64.095 63.200 0.374 0.000 0.967 404 S HN 0.432 nan 8.310 nan 0.000 0.556 405 K N 1.312 121.819 120.400 0.180 0.000 2.201 405 K HA 0.336 4.510 4.320 -0.243 0.000 0.278 405 K C -0.786 175.909 176.600 0.158 0.000 1.027 405 K CA -0.552 55.827 56.287 0.154 0.000 0.909 405 K CB 0.436 33.036 32.500 0.168 0.000 1.062 405 K HN 0.420 nan 8.250 nan 0.000 0.465 406 L N 4.882 126.171 121.223 0.110 0.000 2.380 406 L HA 0.176 4.370 4.340 -0.243 0.000 0.273 406 L C 0.014 176.932 176.870 0.080 0.000 1.138 406 L CA -0.014 54.881 54.840 0.092 0.000 0.832 406 L CB 1.008 43.092 42.059 0.042 0.000 1.124 406 L HN 0.744 nan 8.230 nan 0.000 0.454 407 M N 5.442 125.097 119.600 0.092 0.000 2.217 407 M HA 0.239 4.574 4.480 -0.243 0.000 0.354 407 M C -0.814 175.495 176.300 0.014 0.000 1.225 407 M CA 0.185 55.526 55.300 0.069 0.000 1.137 407 M CB 0.345 32.994 32.600 0.081 0.000 1.576 407 M HN 0.891 nan 8.290 nan 0.000 0.461 408 N N 3.223 121.914 118.700 -0.016 0.000 2.484 408 N HA 0.238 4.833 4.740 -0.243 0.000 0.269 408 N C -0.449 175.030 175.510 -0.051 0.000 1.237 408 N CA -0.465 52.560 53.050 -0.041 0.000 0.838 408 N CB 0.885 39.337 38.487 -0.058 0.000 1.593 408 N HN 0.671 nan 8.380 nan 0.000 0.485 409 Q N -0.062 119.709 119.800 -0.048 0.000 2.234 409 Q HA -0.074 4.120 4.340 -0.243 0.000 0.206 409 Q C -0.096 175.881 176.000 -0.039 0.000 0.980 409 Q CA 1.666 57.442 55.803 -0.044 0.000 0.869 409 Q CB 0.066 28.781 28.738 -0.039 0.000 0.912 409 Q HN 0.655 nan 8.270 nan 0.000 0.436 410 D N 0.007 120.374 120.400 -0.055 0.000 2.327 410 D HA 0.042 4.536 4.640 -0.243 0.000 0.205 410 D C 0.009 176.267 176.300 -0.070 0.000 0.989 410 D CA 0.599 54.572 54.000 -0.045 0.000 0.873 410 D CB 0.437 41.209 40.800 -0.047 0.000 0.955 410 D HN 0.051 nan 8.370 nan 0.000 0.515 411 K N 0.521 120.807 120.400 -0.191 0.000 2.535 411 K HA 0.390 4.564 4.320 -0.243 0.000 0.253 411 K C 0.445 176.951 176.600 -0.156 0.000 0.953 411 K CA -0.112 55.889 56.287 -0.475 0.000 0.863 411 K CB 2.512 34.298 32.500 -1.189 0.000 1.111 411 K HN -0.159 nan 8.250 nan 0.000 0.431 412 M N 0.618 120.331 119.600 0.188 0.000 2.969 412 M HA 0.172 4.506 4.480 -0.243 0.000 0.234 412 M C 0.127 176.628 176.300 0.335 0.000 1.409 412 M CA 0.461 55.879 55.300 0.196 0.000 1.314 412 M CB 0.685 33.365 32.600 0.133 0.000 1.130 412 M HN 0.156 nan 8.290 nan 0.000 0.558 413 V N 0.959 121.110 119.914 0.395 0.000 2.459 413 V HA 0.219 4.193 4.120 -0.243 0.000 0.295 413 V C 0.209 176.426 176.094 0.206 0.000 1.029 413 V CA -0.684 61.811 62.300 0.326 0.000 0.874 413 V CB 1.501 33.505 31.823 0.302 0.000 0.985 413 V HN 0.349 nan 8.190 nan 0.000 0.438 414 T N 2.961 117.619 114.554 0.172 0.000 2.855 414 T HA 0.016 4.221 4.350 -0.243 0.000 0.314 414 T C 1.404 176.042 174.700 -0.103 0.000 1.077 414 T CA 0.453 62.532 62.100 -0.035 0.000 1.095 414 T CB 0.844 69.772 68.868 0.101 0.000 0.987 414 T HN 0.779 nan 8.240 nan 0.000 0.546 415 S N 2.097 117.679 115.700 -0.196 0.000 2.428 415 S HA -0.047 4.277 4.470 -0.243 0.000 0.230 415 S C 1.948 176.553 174.600 0.009 0.000 1.014 415 S CA 0.447 58.581 58.200 -0.110 0.000 0.957 415 S CB -0.141 62.976 63.200 -0.139 0.000 0.784 415 S HN 0.700 nan 8.310 nan 0.000 0.499 416 E N 1.188 121.428 120.200 0.066 0.000 2.160 416 E HA -0.064 4.140 4.350 -0.243 0.000 0.195 416 E C 1.779 178.562 176.600 0.306 0.000 0.991 416 E CA 0.810 57.319 56.400 0.181 0.000 0.810 416 E CB -0.182 29.630 29.700 0.187 0.000 0.742 416 E HN 0.478 nan 8.360 nan 0.000 0.466 417 L N -0.504 120.844 121.223 0.209 0.000 2.357 417 L HA 0.108 4.302 4.340 -0.243 0.000 0.211 417 L C 2.555 179.475 176.870 0.084 0.000 1.075 417 L CA 0.187 55.119 54.840 0.153 0.000 0.830 417 L CB 0.051 42.157 42.059 0.078 0.000 0.996 417 L HN -0.062 nan 8.230 nan 0.000 0.467 418 R N -0.470 120.075 120.500 0.075 0.000 2.246 418 R HA 0.014 4.208 4.340 -0.243 0.000 0.199 418 R C 1.350 177.679 176.300 0.049 0.000 0.984 418 R CA 0.648 56.785 56.100 0.061 0.000 1.015 418 R CB 0.355 30.689 30.300 0.057 0.000 0.930 418 R HN 0.302 nan 8.270 nan 0.000 0.475 419 N N -0.506 118.220 118.700 0.043 0.000 2.474 419 N HA 0.056 4.650 4.740 -0.243 0.000 0.224 419 N C -0.141 175.396 175.510 0.045 0.000 1.092 419 N CA 0.499 53.558 53.050 0.015 0.000 0.844 419 N CB 0.771 39.239 38.487 -0.032 0.000 1.381 419 N HN 0.003 nan 8.380 nan 0.000 0.458 420 K N 1.051 121.511 120.400 0.100 0.000 2.832 420 K HA 0.231 4.406 4.320 -0.243 0.000 0.211 420 K C -0.221 176.649 176.600 0.450 0.000 1.112 420 K CA -0.387 56.002 56.287 0.171 0.000 1.108 420 K CB 0.794 33.253 32.500 -0.068 0.000 0.899 420 K HN -0.012 nan 8.250 nan 0.000 0.464 421 L N 0.972 122.399 121.223 0.339 0.000 2.417 421 L HA 0.319 4.513 4.340 -0.243 0.000 0.268 421 L C -0.545 176.532 176.870 0.345 0.000 1.158 421 L CA -0.197 54.765 54.840 0.203 0.000 0.819 421 L CB 0.322 42.363 42.059 -0.030 0.000 1.112 421 L HN 0.138 nan 8.230 nan 0.000 0.458 422 F N 4.117 124.066 119.950 -0.002 0.000 2.482 422 F HA 0.480 4.861 4.527 -0.243 0.000 0.331 422 F C -0.536 175.313 175.800 0.081 0.000 1.115 422 F CA -0.512 57.554 58.000 0.109 0.000 0.955 422 F CB 1.134 40.066 39.000 -0.112 0.000 1.136 422 F HN 0.444 nan 8.300 nan 0.000 0.452 423 Q N 6.827 126.284 119.800 -0.572 0.000 2.266 423 Q HA 0.285 4.479 4.340 -0.243 0.000 0.261 423 Q C -2.102 173.431 176.000 -0.778 0.000 0.985 423 Q CA -1.853 53.618 55.803 -0.553 0.000 0.873 423 Q CB 1.967 30.189 28.738 -0.861 0.000 1.306 423 Q HN 0.444 nan 8.270 nan 0.000 0.447 424 P HA -0.124 nan 4.420 nan 0.000 0.215 424 P C 0.997 178.098 177.300 -0.332 0.000 1.153 424 P CA 1.527 64.308 63.100 -0.531 0.000 0.853 424 P CB 0.262 31.687 31.700 -0.459 0.000 0.788 425 T N -1.662 112.785 114.554 -0.178 0.000 2.881 425 T HA -0.089 4.115 4.350 -0.243 0.000 0.270 425 T C 0.834 175.495 174.700 -0.066 0.000 1.068 425 T CA 1.250 63.332 62.100 -0.030 0.000 1.131 425 T CB -0.629 68.351 68.868 0.186 0.000 0.871 425 T HN 0.315 nan 8.240 nan 0.000 0.479 426 H N 0.303 119.190 119.070 -0.305 0.000 2.771 426 H HA 0.428 4.838 4.556 -0.243 0.000 0.344 426 H C 0.208 175.299 175.328 -0.394 0.000 1.260 426 H CA -1.032 54.887 56.048 -0.216 0.000 1.276 426 H CB 1.283 31.059 29.762 0.024 0.000 1.881 426 H HN 0.096 nan 8.280 nan 0.000 0.615 427 K N 0.982 121.308 120.400 -0.122 0.000 3.045 427 K HA 0.335 4.509 4.320 -0.243 0.000 0.211 427 K C -0.530 176.247 176.600 0.294 0.000 1.141 427 K CA -0.001 56.163 56.287 -0.205 0.000 1.036 427 K CB -0.323 31.817 32.500 -0.599 0.000 0.851 427 K HN 0.418 nan 8.250 nan 0.000 0.462 428 I N -2.348 118.402 120.570 0.300 0.000 2.607 428 I HA 0.388 4.412 4.170 -0.243 0.000 0.290 428 I C -1.236 175.209 176.117 0.548 0.000 1.129 428 I CA -1.348 60.220 61.300 0.446 0.000 1.042 428 I CB 1.314 39.432 38.000 0.196 0.000 1.242 428 I HN -0.046 nan 8.210 nan 0.000 0.421 429 H N 4.825 124.221 119.070 0.543 0.000 3.089 429 H HA 0.588 4.998 4.556 -0.243 0.000 0.262 429 H C 0.812 176.294 175.328 0.258 0.000 1.160 429 H CA 0.044 56.424 56.048 0.554 0.000 1.482 429 H CB 0.941 31.012 29.762 0.516 0.000 1.511 429 H HN 0.965 nan 8.280 nan 0.000 0.483 430 G N 2.730 111.675 108.800 0.242 0.000 4.636 430 G HA2 0.020 3.834 3.960 -0.243 0.000 0.212 430 G HA3 0.020 3.834 3.960 -0.243 0.000 0.212 430 G C -0.553 174.237 174.900 -0.184 0.000 0.829 430 G CA -0.330 44.763 45.100 -0.011 0.000 0.833 430 G HN 0.315 nan 8.290 nan 0.000 0.510 431 F N 0.657 120.649 119.950 0.070 0.000 2.410 431 F HA 0.668 5.050 4.527 -0.242 0.000 0.324 431 F C -0.027 175.785 175.800 0.021 0.000 1.093 431 F CA -0.796 57.218 58.000 0.024 0.000 1.028 431 F CB 1.534 40.502 39.000 -0.054 0.000 1.309 431 F HN -0.089 nan 8.300 nan 0.000 0.499 432 D N 1.434 121.975 120.400 0.234 0.000 2.462 432 D HA 0.156 4.650 4.640 -0.243 0.000 0.245 432 D C 0.443 176.778 176.300 0.058 0.000 1.122 432 D CA -0.353 53.719 54.000 0.120 0.000 0.864 432 D CB 1.502 42.368 40.800 0.110 0.000 1.098 432 D HN 0.411 nan 8.370 nan 0.000 0.541 433 L N 4.555 125.775 121.223 -0.005 0.000 2.191 433 L HA 0.010 4.204 4.340 -0.243 0.000 0.212 433 L C 1.944 178.734 176.870 -0.135 0.000 1.103 433 L CA 2.132 56.914 54.840 -0.097 0.000 0.769 433 L CB -0.385 41.556 42.059 -0.196 0.000 0.908 433 L HN 0.521 nan 8.230 nan 0.000 0.438 434 A N -0.634 122.151 122.820 -0.058 0.000 1.855 434 A HA -0.031 4.144 4.320 -0.243 0.000 0.215 434 A C 2.452 179.969 177.584 -0.112 0.000 1.191 434 A CA 1.626 53.605 52.037 -0.095 0.000 0.613 434 A CB -1.183 17.938 19.000 0.203 0.000 0.829 434 A HN 0.507 nan 8.150 nan 0.000 0.442 435 A N 0.100 122.920 122.820 -0.001 0.000 1.851 435 A HA -0.135 4.040 4.320 -0.243 0.000 0.216 435 A C 2.136 179.689 177.584 -0.052 0.000 1.195 435 A CA 1.616 53.653 52.037 -0.001 0.000 0.622 435 A CB -0.824 18.197 19.000 0.035 0.000 0.831 435 A HN 0.480 nan 8.150 nan 0.000 0.444 436 I N -0.113 120.443 120.570 -0.023 0.000 2.145 436 I HA -0.391 3.633 4.170 -0.243 0.000 0.244 436 I C 2.399 178.522 176.117 0.010 0.000 1.075 436 I CA 2.060 63.378 61.300 0.030 0.000 1.332 436 I CB -0.617 37.409 38.000 0.044 0.000 1.033 436 I HN 0.513 nan 8.210 nan 0.000 0.410 437 N N 0.425 119.039 118.700 -0.145 0.000 2.069 437 N HA -0.178 4.417 4.740 -0.243 0.000 0.191 437 N C 1.934 177.366 175.510 -0.130 0.000 1.031 437 N CA 1.038 53.933 53.050 -0.259 0.000 0.852 437 N CB -0.058 37.909 38.487 -0.866 0.000 1.018 437 N HN 0.257 nan 8.380 nan 0.000 0.423 438 L N 0.553 121.699 121.223 -0.129 0.000 2.083 438 L HA -0.208 3.986 4.340 -0.243 0.000 0.209 438 L C 2.551 179.441 176.870 0.033 0.000 1.083 438 L CA 1.130 55.991 54.840 0.034 0.000 0.752 438 L CB -0.364 41.764 42.059 0.115 0.000 0.899 438 L HN 0.289 nan 8.230 nan 0.000 0.433 439 Q N 0.096 119.871 119.800 -0.041 0.000 2.079 439 Q HA -0.223 3.971 4.340 -0.243 0.000 0.200 439 Q C 2.235 178.307 176.000 0.120 0.000 0.974 439 Q CA 1.297 57.024 55.803 -0.125 0.000 0.840 439 Q CB 0.001 28.371 28.738 -0.613 0.000 0.898 439 Q HN 0.089 nan 8.270 nan 0.000 0.430 440 R N -0.431 120.232 120.500 0.271 0.000 2.117 440 R HA -0.134 4.061 4.340 -0.243 0.000 0.243 440 R C 2.076 178.568 176.300 0.320 0.000 1.143 440 R CA 1.854 58.258 56.100 0.506 0.000 0.968 440 R CB -1.071 29.534 30.300 0.509 0.000 0.863 440 R HN 0.437 nan 8.270 nan 0.000 0.444 441 C N -0.319 118.939 119.300 -0.071 0.000 2.422 441 C HA -0.040 4.274 4.460 -0.243 0.000 0.279 441 C C 2.428 177.316 174.990 -0.169 0.000 1.305 441 C CA 0.956 59.566 59.018 -0.679 0.000 1.757 441 C CB -0.866 26.605 27.740 -0.449 0.000 1.962 441 C HN 0.496 nan 8.230 nan 0.000 0.499 442 R N 0.301 120.863 120.500 0.103 0.000 2.100 442 R HA -0.058 4.136 4.340 -0.243 0.000 0.220 442 R C 1.907 178.407 176.300 0.333 0.000 1.091 442 R CA 1.324 57.568 56.100 0.240 0.000 0.986 442 R CB -0.474 30.025 30.300 0.332 0.000 0.888 442 R HN 0.456 nan 8.270 nan 0.000 0.444 443 D N 0.842 121.519 120.400 0.462 0.000 2.123 443 D HA -0.193 4.301 4.640 -0.243 0.000 0.196 443 D C 1.382 177.974 176.300 0.486 0.000 0.992 443 D CA 1.414 55.725 54.000 0.517 0.000 0.833 443 D CB -0.135 41.134 40.800 0.783 0.000 0.954 443 D HN 0.381 nan 8.370 nan 0.000 0.455 444 H N -1.043 118.205 119.070 0.296 0.000 2.556 444 H HA 0.189 4.599 4.556 -0.243 0.000 0.268 444 H C 0.975 176.335 175.328 0.053 0.000 0.996 444 H CA 0.244 56.439 56.048 0.246 0.000 1.157 444 H CB 0.045 30.007 29.762 0.333 0.000 1.355 444 H HN 0.299 nan 8.280 nan 0.000 0.597 445 G N 1.808 110.630 108.800 0.038 0.000 2.314 445 G HA2 -0.274 3.540 3.960 -0.243 0.000 0.292 445 G HA3 -0.274 3.540 3.960 -0.243 0.000 0.292 445 G C 0.181 174.950 174.900 -0.218 0.000 1.059 445 G CA -0.129 44.697 45.100 -0.456 0.000 0.982 445 G HN 0.153 nan 8.290 nan 0.000 0.505 446 M N -0.035 119.522 119.600 -0.072 0.000 2.200 446 M HA 0.239 4.573 4.480 -0.243 0.000 0.355 446 M C -1.787 174.536 176.300 0.038 0.000 1.283 446 M CA -1.923 53.375 55.300 -0.003 0.000 1.124 446 M CB 0.327 32.850 32.600 -0.129 0.000 1.625 446 M HN -0.017 nan 8.290 nan 0.000 0.463 447 P HA 0.135 nan 4.420 nan 0.000 0.272 447 P C 0.388 177.703 177.300 0.024 0.000 1.223 447 P CA -0.087 62.974 63.100 -0.065 0.000 0.784 447 P CB 0.474 31.979 31.700 -0.325 0.000 0.923 448 G N 0.574 109.334 108.800 -0.067 0.000 2.680 448 G HA2 -0.166 3.648 3.960 -0.243 0.000 0.274 448 G HA3 -0.166 3.648 3.960 -0.243 0.000 0.274 448 G C 0.408 175.396 174.900 0.147 0.000 1.292 448 G CA 0.024 45.131 45.100 0.013 0.000 1.007 448 G HN 0.497 nan 8.290 nan 0.000 0.578 449 Y N 0.081 120.396 120.300 0.024 0.000 2.133 449 Y HA -0.129 4.275 4.550 -0.243 0.000 0.287 449 Y C 2.717 178.668 175.900 0.085 0.000 1.134 449 Y CA 2.245 60.394 58.100 0.082 0.000 1.133 449 Y CB -0.155 38.288 38.460 -0.029 0.000 0.987 449 Y HN 0.402 nan 8.280 nan 0.000 0.502 450 N N -0.111 118.555 118.700 -0.057 0.000 2.289 450 N HA -0.151 4.444 4.740 -0.243 0.000 0.184 450 N C 1.952 177.372 175.510 -0.150 0.000 1.016 450 N CA 1.288 54.246 53.050 -0.154 0.000 0.872 450 N CB -0.297 38.168 38.487 -0.037 0.000 0.973 450 N HN 0.346 nan 8.380 nan 0.000 0.433 451 S N 0.022 115.610 115.700 -0.187 0.000 2.351 451 S HA -0.137 4.187 4.470 -0.243 0.000 0.220 451 S C 1.671 176.096 174.600 -0.292 0.000 1.035 451 S CA 1.101 59.115 58.200 -0.310 0.000 1.031 451 S CB -0.436 62.441 63.200 -0.539 0.000 0.928 451 S HN 0.509 nan 8.310 nan 0.000 0.433 452 W N 1.771 123.053 121.300 -0.030 0.000 2.374 452 W HA -0.002 4.514 4.660 -0.241 0.000 0.288 452 W C 2.616 179.147 176.519 0.020 0.000 1.218 452 W CA 0.052 57.417 57.345 0.034 0.000 1.245 452 W CB -0.139 29.316 29.460 -0.009 0.000 1.126 452 W HN 0.101 nan 8.180 nan 0.000 0.545 453 R N 0.137 120.642 120.500 0.010 0.000 2.083 453 R HA -0.107 4.087 4.340 -0.243 0.000 0.237 453 R C 2.367 178.679 176.300 0.020 0.000 1.137 453 R CA 1.696 57.748 56.100 -0.079 0.000 0.951 453 R CB -1.590 28.553 30.300 -0.262 0.000 0.851 453 R HN 0.359 nan 8.270 nan 0.000 0.434 454 G N 0.121 108.923 108.800 0.004 0.000 2.421 454 G HA2 -0.290 3.524 3.960 -0.243 0.000 0.216 454 G HA3 -0.290 3.524 3.960 -0.243 0.000 0.216 454 G C 1.412 176.353 174.900 0.069 0.000 1.171 454 G CA 0.474 45.583 45.100 0.015 0.000 0.775 454 G HN 0.330 nan 8.290 nan 0.000 0.543 455 F N 1.097 121.036 119.950 -0.018 0.000 2.192 455 F HA -0.145 4.236 4.527 -0.243 0.000 0.301 455 F C 2.066 177.923 175.800 0.095 0.000 1.079 455 F CA 1.184 59.207 58.000 0.038 0.000 1.303 455 F CB -0.159 38.908 39.000 0.112 0.000 1.024 455 F HN 0.158 nan 8.300 nan 0.000 0.494 456 c N 0.830 119.496 118.600 0.110 0.000 2.673 456 c HA 0.435 4.860 4.570 -0.243 0.000 0.274 456 c C 1.626 175.752 174.090 0.061 0.000 1.276 456 c CA 0.494 56.855 56.329 0.053 0.000 1.701 456 c CB -1.317 41.312 42.510 0.198 0.000 1.836 456 c HN 0.866 nan 8.230 nan 0.000 0.596 457 G N 1.284 110.088 108.800 0.007 0.000 2.198 457 G HA2 -0.231 3.584 3.960 -0.243 0.000 0.257 457 G HA3 -0.231 3.584 3.960 -0.243 0.000 0.257 457 G C -0.232 174.685 174.900 0.027 0.000 1.042 457 G CA 0.049 45.152 45.100 0.006 0.000 0.791 457 G HN 0.540 nan 8.290 nan 0.000 0.502 458 L N 0.647 121.891 121.223 0.034 0.000 2.330 458 L HA 0.655 4.850 4.340 -0.243 0.000 0.271 458 L C 1.411 178.284 176.870 0.005 0.000 1.013 458 L CA -0.602 54.255 54.840 0.028 0.000 0.816 458 L CB 1.726 43.809 42.059 0.041 0.000 1.287 458 L HN 0.383 nan 8.230 nan 0.000 0.435 459 S N 1.166 116.870 115.700 0.007 0.000 2.580 459 S HA 0.125 4.450 4.470 -0.243 0.000 0.261 459 S C -0.380 174.215 174.600 -0.008 0.000 1.366 459 S CA -0.460 57.742 58.200 0.003 0.000 0.996 459 S CB 0.416 63.624 63.200 0.013 0.000 0.902 459 S HN 0.630 nan 8.310 nan 0.000 0.566 460 Q N 0.809 120.608 119.800 -0.002 0.000 2.337 460 Q HA 0.397 4.592 4.340 -0.243 0.000 0.260 460 Q C -2.823 173.195 176.000 0.029 0.000 0.982 460 Q CA -1.678 54.122 55.803 -0.004 0.000 0.734 460 Q CB 1.750 30.476 28.738 -0.020 0.000 1.272 460 Q HN 0.479 nan 8.270 nan 0.000 0.461 461 P HA 0.024 nan 4.420 nan 0.000 0.268 461 P C 0.008 177.348 177.300 0.067 0.000 1.205 461 P CA -0.162 62.980 63.100 0.072 0.000 0.771 461 P CB 0.849 32.612 31.700 0.105 0.000 0.858 462 K N -0.072 120.361 120.400 0.054 0.000 2.481 462 K HA 0.178 4.352 4.320 -0.243 0.000 0.210 462 K C 0.299 176.930 176.600 0.052 0.000 1.161 462 K CA 0.436 56.756 56.287 0.054 0.000 1.023 462 K CB 0.629 33.156 32.500 0.045 0.000 0.971 462 K HN 0.608 nan 8.250 nan 0.000 0.577 463 T N -2.784 111.796 114.554 0.044 0.000 2.883 463 T HA 0.369 4.574 4.350 -0.243 0.000 0.301 463 T C 1.017 175.734 174.700 0.029 0.000 1.158 463 T CA -0.799 61.322 62.100 0.036 0.000 1.007 463 T CB 1.686 70.573 68.868 0.031 0.000 1.186 463 T HN -0.089 nan 8.240 nan 0.000 0.499 464 L N 0.614 121.850 121.223 0.021 0.000 2.013 464 L HA -0.122 4.072 4.340 -0.243 0.000 0.212 464 L C 2.646 179.525 176.870 0.016 0.000 1.073 464 L CA 1.602 56.451 54.840 0.014 0.000 0.753 464 L CB -0.250 41.814 42.059 0.008 0.000 0.890 464 L HN 0.668 nan 8.230 nan 0.000 0.432 465 K N 0.108 120.518 120.400 0.017 0.000 2.103 465 K HA -0.135 4.039 4.320 -0.243 0.000 0.207 465 K C 1.861 178.473 176.600 0.020 0.000 1.048 465 K CA 1.496 57.793 56.287 0.016 0.000 0.930 465 K CB -0.756 31.753 32.500 0.016 0.000 0.716 465 K HN 0.509 nan 8.250 nan 0.000 0.444 466 G N 0.730 109.546 108.800 0.026 0.000 2.394 466 G HA2 -0.202 3.612 3.960 -0.243 0.000 0.215 466 G HA3 -0.202 3.612 3.960 -0.243 0.000 0.215 466 G C 1.514 176.439 174.900 0.041 0.000 1.165 466 G CA 0.510 45.630 45.100 0.033 0.000 0.784 466 G HN 0.309 nan 8.290 nan 0.000 0.535 467 L N 0.331 121.578 121.223 0.039 0.000 2.141 467 L HA 0.052 4.246 4.340 -0.243 0.000 0.209 467 L C 2.812 179.696 176.870 0.023 0.000 1.094 467 L CA 1.675 56.538 54.840 0.039 0.000 0.763 467 L CB -0.420 41.652 42.059 0.022 0.000 0.908 467 L HN 0.280 nan 8.230 nan 0.000 0.437 468 Q N -1.351 118.460 119.800 0.017 0.000 2.046 468 Q HA -0.171 4.024 4.340 -0.243 0.000 0.200 468 Q C 1.971 177.979 176.000 0.014 0.000 0.975 468 Q CA 2.283 58.092 55.803 0.010 0.000 0.836 468 Q CB -0.227 28.516 28.738 0.008 0.000 0.896 468 Q HN 0.527 nan 8.270 nan 0.000 0.428 469 T N 0.434 115.000 114.554 0.019 0.000 2.708 469 T HA -0.124 4.081 4.350 -0.243 0.000 0.266 469 T C 2.018 176.734 174.700 0.026 0.000 1.037 469 T CA 1.343 63.455 62.100 0.020 0.000 1.146 469 T CB -0.311 68.569 68.868 0.020 0.000 0.865 469 T HN 0.032 nan 8.240 nan 0.000 0.435 470 V N 1.291 121.230 119.914 0.040 0.000 2.261 470 V HA -0.092 3.882 4.120 -0.243 0.000 0.246 470 V C 2.410 178.533 176.094 0.048 0.000 1.047 470 V CA 1.337 63.671 62.300 0.057 0.000 1.015 470 V CB -0.607 31.274 31.823 0.097 0.000 0.642 470 V HN 0.307 nan 8.190 nan 0.000 0.446 471 L N -0.508 120.736 121.223 0.035 0.000 2.275 471 L HA 0.028 4.223 4.340 -0.243 0.000 0.215 471 L C 1.354 178.226 176.870 0.003 0.000 1.119 471 L CA 1.060 55.906 54.840 0.010 0.000 0.790 471 L CB -1.282 40.767 42.059 -0.016 0.000 0.919 471 L HN 0.424 nan 8.230 nan 0.000 0.443 472 K N 0.774 121.178 120.400 0.007 0.000 3.096 472 K HA -0.225 3.949 4.320 -0.243 0.000 0.266 472 K C -0.065 176.533 176.600 -0.004 0.000 1.043 472 K CA 0.610 56.898 56.287 0.002 0.000 0.758 472 K CB -1.414 31.087 32.500 0.002 0.000 1.260 472 K HN 0.386 nan 8.250 nan 0.000 0.481 473 N N 0.145 118.842 118.700 -0.005 0.000 2.905 473 N HA 0.092 4.686 4.740 -0.243 0.000 0.255 473 N C 0.116 175.621 175.510 -0.007 0.000 1.199 473 N CA -0.502 52.542 53.050 -0.009 0.000 0.911 473 N CB 1.293 39.771 38.487 -0.015 0.000 1.550 473 N HN 0.082 nan 8.380 nan 0.000 0.599 474 K N 2.865 123.262 120.400 -0.004 0.000 2.009 474 K HA -0.061 4.114 4.320 -0.243 0.000 0.210 474 K C 1.977 178.575 176.600 -0.003 0.000 1.049 474 K CA 1.940 58.225 56.287 -0.002 0.000 0.929 474 K CB -0.008 32.492 32.500 -0.001 0.000 0.714 474 K HN 0.719 nan 8.250 nan 0.000 0.440 475 I N -0.915 119.653 120.570 -0.003 0.000 2.252 475 I HA -0.175 3.850 4.170 -0.243 0.000 0.245 475 I C 2.110 178.226 176.117 -0.003 0.000 1.102 475 I CA 1.099 62.398 61.300 -0.002 0.000 1.385 475 I CB -0.414 37.586 38.000 0.000 0.000 1.064 475 I HN 0.098 nan 8.210 nan 0.000 0.414 476 L N 2.436 123.655 121.223 -0.007 0.000 2.042 476 L HA -0.102 4.092 4.340 -0.243 0.000 0.210 476 L C 2.695 179.556 176.870 -0.015 0.000 1.076 476 L CA 2.268 57.101 54.840 -0.012 0.000 0.749 476 L CB -1.024 41.021 42.059 -0.023 0.000 0.893 476 L HN 0.347 nan 8.230 nan 0.000 0.432 477 A N -0.657 122.153 122.820 -0.016 0.000 1.902 477 A HA -0.245 3.930 4.320 -0.243 0.000 0.217 477 A C 2.461 180.041 177.584 -0.006 0.000 1.181 477 A CA 1.875 53.901 52.037 -0.017 0.000 0.623 477 A CB -0.664 18.329 19.000 -0.011 0.000 0.818 477 A HN 0.512 nan 8.150 nan 0.000 0.443 478 K N 0.104 120.502 120.400 -0.003 0.000 2.063 478 K HA -0.196 3.979 4.320 -0.243 0.000 0.208 478 K C 1.929 178.529 176.600 0.000 0.000 1.048 478 K CA 1.848 58.134 56.287 -0.002 0.000 0.928 478 K CB -0.197 32.302 32.500 -0.002 0.000 0.713 478 K HN 0.493 nan 8.250 nan 0.000 0.442 479 K N 0.265 120.668 120.400 0.005 0.000 2.103 479 K HA -0.107 4.068 4.320 -0.243 0.000 0.204 479 K C 2.118 178.736 176.600 0.030 0.000 1.052 479 K CA 0.706 56.999 56.287 0.010 0.000 0.945 479 K CB -0.096 32.413 32.500 0.015 0.000 0.722 479 K HN 0.025 nan 8.250 nan 0.000 0.443 480 L N 0.982 122.233 121.223 0.046 0.000 2.046 480 L HA -0.144 4.050 4.340 -0.243 0.000 0.208 480 L C 2.219 179.170 176.870 0.133 0.000 1.077 480 L CA 1.695 56.604 54.840 0.116 0.000 0.747 480 L CB -0.467 41.605 42.059 0.023 0.000 0.896 480 L HN 0.244 nan 8.230 nan 0.000 0.432 481 M N -1.075 118.552 119.600 0.045 0.000 2.132 481 M HA -0.184 4.151 4.480 -0.243 0.000 0.263 481 M C 1.872 178.154 176.300 -0.030 0.000 1.065 481 M CA 1.395 56.702 55.300 0.012 0.000 1.122 481 M CB -1.163 31.432 32.600 -0.008 0.000 1.365 481 M HN 0.232 nan 8.290 nan 0.000 0.411 482 D N 0.233 120.614 120.400 -0.032 0.000 2.182 482 D HA -0.101 4.393 4.640 -0.243 0.000 0.201 482 D C 2.172 178.415 176.300 -0.095 0.000 0.986 482 D CA 1.101 55.064 54.000 -0.061 0.000 0.847 482 D CB 0.014 40.790 40.800 -0.041 0.000 0.942 482 D HN 0.350 nan 8.370 nan 0.000 0.467 483 L N -1.150 120.015 121.223 -0.096 0.000 2.168 483 L HA -0.055 4.139 4.340 -0.243 0.000 0.203 483 L C 1.784 178.463 176.870 -0.318 0.000 1.078 483 L CA 0.537 55.249 54.840 -0.213 0.000 0.780 483 L CB -0.062 41.833 42.059 -0.273 0.000 0.939 483 L HN -0.024 nan 8.230 nan 0.000 0.451 484 Y N -0.683 119.562 120.300 -0.092 0.000 2.462 484 Y HA 0.013 4.418 4.550 -0.243 0.000 0.261 484 Y C 1.179 176.957 175.900 -0.202 0.000 1.146 484 Y CA -0.273 57.772 58.100 -0.091 0.000 1.283 484 Y CB 0.229 38.657 38.460 -0.052 0.000 1.090 484 Y HN -0.052 nan 8.280 nan 0.000 0.526 485 K N -0.046 120.220 120.400 -0.224 0.000 3.456 485 K HA -0.257 3.917 4.320 -0.243 0.000 0.313 485 K C -0.007 176.363 176.600 -0.384 0.000 1.252 485 K CA 1.689 57.607 56.287 -0.614 0.000 0.991 485 K CB -1.529 29.989 32.500 -1.637 0.000 1.259 485 K HN 0.358 nan 8.250 nan 0.000 0.420 486 T N -2.823 111.697 114.554 -0.056 0.000 3.486 486 T HA 0.397 4.601 4.350 -0.243 0.000 0.375 486 T C -2.775 171.974 174.700 0.082 0.000 1.459 486 T CA -1.094 61.052 62.100 0.077 0.000 1.151 486 T CB 1.423 70.429 68.868 0.230 0.000 1.336 486 T HN -0.265 nan 8.240 nan 0.000 0.477 487 P HA 0.023 nan 4.420 nan 0.000 0.223 487 P C 0.774 178.132 177.300 0.096 0.000 1.144 487 P CA 0.720 63.859 63.100 0.065 0.000 0.783 487 P CB 0.176 31.946 31.700 0.116 0.000 0.771 488 D N -1.164 119.287 120.400 0.085 0.000 2.264 488 D HA -0.072 4.423 4.640 -0.243 0.000 0.208 488 D C 1.106 177.420 176.300 0.024 0.000 0.966 488 D CA 0.945 54.980 54.000 0.058 0.000 0.864 488 D CB -0.477 40.355 40.800 0.052 0.000 0.933 488 D HN 0.162 nan 8.370 nan 0.000 0.499 489 N N -0.056 118.668 118.700 0.041 0.000 2.236 489 N HA 0.110 4.704 4.740 -0.243 0.000 0.196 489 N C 0.253 175.715 175.510 -0.081 0.000 1.114 489 N CA -0.090 52.985 53.050 0.041 0.000 0.859 489 N CB 0.757 39.365 38.487 0.202 0.000 0.982 489 N HN 0.232 nan 8.380 nan 0.000 0.493 490 I N 2.088 122.451 120.570 -0.346 0.000 2.505 490 I HA -0.043 3.981 4.170 -0.243 0.000 0.287 490 I C 0.058 175.958 176.117 -0.362 0.000 1.104 490 I CA -0.057 60.701 61.300 -0.902 0.000 1.387 490 I CB 0.244 37.756 38.000 -0.812 0.000 1.404 490 I HN -0.147 nan 8.210 nan 0.000 0.528 491 D N 6.519 126.753 120.400 -0.276 0.000 2.531 491 D HA -0.096 4.399 4.640 -0.243 0.000 0.239 491 D C 1.243 177.574 176.300 0.052 0.000 1.144 491 D CA 0.148 54.155 54.000 0.012 0.000 0.869 491 D CB 1.287 42.180 40.800 0.154 0.000 1.160 491 D HN 0.471 nan 8.370 nan 0.000 0.484 492 I N 3.662 124.309 120.570 0.128 0.000 2.229 492 I HA -0.262 3.762 4.170 -0.243 0.000 0.250 492 I C 1.775 177.996 176.117 0.173 0.000 1.096 492 I CA 1.411 62.824 61.300 0.188 0.000 1.358 492 I CB -0.275 37.793 38.000 0.113 0.000 1.047 492 I HN 0.635 nan 8.210 nan 0.000 0.422 493 W N 0.641 121.948 121.300 0.013 0.000 2.332 493 W HA -0.260 4.254 4.660 -0.244 0.000 0.321 493 W C 2.406 178.952 176.519 0.046 0.000 1.219 493 W CA 2.129 59.507 57.345 0.054 0.000 1.277 493 W CB -0.767 28.750 29.460 0.094 0.000 1.161 493 W HN 0.220 nan 8.180 nan 0.000 0.476 494 I N 1.270 121.864 120.570 0.039 0.000 2.394 494 I HA -0.038 3.986 4.170 -0.243 0.000 0.251 494 I C 2.495 178.443 176.117 -0.282 0.000 1.136 494 I CA 2.039 63.195 61.300 -0.240 0.000 1.425 494 I CB -1.263 36.748 38.000 0.018 0.000 1.079 494 I HN 0.116 nan 8.210 nan 0.000 0.425 495 G N -0.119 108.546 108.800 -0.225 0.000 2.511 495 G HA2 -0.252 3.562 3.960 -0.243 0.000 0.216 495 G HA3 -0.252 3.562 3.960 -0.243 0.000 0.216 495 G C 1.748 176.592 174.900 -0.095 0.000 1.218 495 G CA 0.730 45.591 45.100 -0.398 0.000 0.788 495 G HN 0.519 nan 8.290 nan 0.000 0.560 496 G N 0.785 109.629 108.800 0.073 0.000 2.440 496 G HA2 -0.244 3.570 3.960 -0.243 0.000 0.218 496 G HA3 -0.244 3.570 3.960 -0.243 0.000 0.218 496 G C 1.651 176.515 174.900 -0.061 0.000 1.154 496 G CA 1.202 46.341 45.100 0.064 0.000 0.767 496 G HN 0.536 nan 8.290 nan 0.000 0.552 497 N N 0.522 119.096 118.700 -0.210 0.000 2.515 497 N HA 0.248 4.842 4.740 -0.243 0.000 0.185 497 N C 1.938 177.334 175.510 -0.190 0.000 1.109 497 N CA 0.600 53.509 53.050 -0.235 0.000 0.903 497 N CB 0.113 38.347 38.487 -0.422 0.000 0.969 497 N HN 0.347 nan 8.380 nan 0.000 0.450 498 A N 0.427 123.138 122.820 -0.182 0.000 2.178 498 A HA 0.043 4.217 4.320 -0.243 0.000 0.211 498 A C 0.468 178.004 177.584 -0.080 0.000 1.157 498 A CA 0.104 52.057 52.037 -0.141 0.000 0.780 498 A CB 0.092 18.986 19.000 -0.177 0.000 0.828 498 A HN 0.211 nan 8.150 nan 0.000 0.476 499 E N 2.009 122.183 120.200 -0.043 0.000 2.373 499 E HA 0.221 4.425 4.350 -0.243 0.000 0.267 499 E C -2.288 174.301 176.600 -0.018 0.000 1.032 499 E CA -1.979 54.422 56.400 0.002 0.000 0.889 499 E CB 0.311 30.044 29.700 0.055 0.000 0.984 499 E HN 0.309 nan 8.360 nan 0.000 0.425 500 P HA -0.079 nan 4.420 nan 0.000 0.271 500 P C -0.464 176.824 177.300 -0.021 0.000 1.238 500 P CA 0.260 63.349 63.100 -0.017 0.000 0.794 500 P CB 0.599 32.293 31.700 -0.009 0.000 0.959 501 M N 0.419 120.002 119.600 -0.027 0.000 2.274 501 M HA 0.200 4.534 4.480 -0.243 0.000 0.344 501 M C 0.538 176.824 176.300 -0.024 0.000 1.161 501 M CA -0.903 54.376 55.300 -0.035 0.000 1.126 501 M CB 1.147 33.721 32.600 -0.043 0.000 1.522 501 M HN 0.146 nan 8.290 nan 0.000 0.461 502 V N -0.548 119.352 119.914 -0.022 0.000 3.051 502 V HA 0.210 4.184 4.120 -0.243 0.000 0.306 502 V C 0.310 176.392 176.094 -0.020 0.000 1.083 502 V CA -0.781 61.514 62.300 -0.010 0.000 1.104 502 V CB 0.527 32.354 31.823 0.007 0.000 1.027 502 V HN 0.861 nan 8.190 nan 0.000 0.483 503 E N 3.094 123.285 120.200 -0.015 0.000 2.493 503 E HA 0.047 4.252 4.350 -0.243 0.000 0.255 503 E C 0.426 177.009 176.600 -0.028 0.000 0.999 503 E CA 0.415 56.803 56.400 -0.021 0.000 0.934 503 E CB 0.108 29.797 29.700 -0.017 0.000 0.940 503 E HN 0.771 nan 8.360 nan 0.000 0.473 504 R N 0.693 121.171 120.500 -0.037 0.000 3.785 504 R HA -0.181 4.013 4.340 -0.243 0.000 0.476 504 R C 0.539 176.800 176.300 -0.065 0.000 0.905 504 R CA 1.019 57.090 56.100 -0.048 0.000 1.412 504 R CB -2.021 28.256 30.300 -0.039 0.000 2.077 504 R HN 0.628 nan 8.270 nan 0.000 0.504 505 G N -0.300 108.464 108.800 -0.060 0.000 2.736 505 G HA2 0.565 4.379 3.960 -0.243 0.000 0.229 505 G HA3 0.565 4.379 3.960 -0.243 0.000 0.229 505 G C 0.342 175.197 174.900 -0.076 0.000 1.380 505 G CA -0.412 44.644 45.100 -0.073 0.000 1.040 505 G HN 0.017 nan 8.290 nan 0.000 0.568 506 R N -0.482 119.969 120.500 -0.082 0.000 2.615 506 R HA 0.304 4.498 4.340 -0.243 0.000 0.448 506 R C -0.641 175.552 176.300 -0.177 0.000 1.009 506 R CA -0.037 56.025 56.100 -0.063 0.000 1.111 506 R CB 0.401 30.757 30.300 0.093 0.000 1.461 506 R HN 0.600 nan 8.270 nan 0.000 0.587 507 V N -4.250 115.544 119.914 -0.200 0.000 3.147 507 V HA 0.853 4.828 4.120 -0.243 0.000 0.299 507 V C 0.205 176.227 176.094 -0.120 0.000 1.302 507 V CA -1.072 61.078 62.300 -0.249 0.000 1.015 507 V CB 1.700 33.253 31.823 -0.449 0.000 1.086 507 V HN 0.076 nan 8.190 nan 0.000 0.437 508 G N 0.975 109.726 108.800 -0.081 0.000 2.621 508 G HA2 0.559 4.374 3.960 -0.243 0.000 0.271 508 G HA3 0.559 4.374 3.960 -0.243 0.000 0.271 508 G C -1.680 173.234 174.900 0.023 0.000 1.236 508 G CA -0.896 44.193 45.100 -0.017 0.000 0.958 508 G HN 0.663 nan 8.290 nan 0.000 0.512 509 P HA -0.171 nan 4.420 nan 0.000 0.216 509 P C 2.109 179.486 177.300 0.128 0.000 1.167 509 P CA 0.794 63.961 63.100 0.111 0.000 0.914 509 P CB 0.071 31.828 31.700 0.096 0.000 0.793 510 L N -1.144 120.139 121.223 0.101 0.000 1.943 510 L HA -0.170 4.024 4.340 -0.243 0.000 0.215 510 L C 2.250 179.159 176.870 0.066 0.000 1.074 510 L CA 1.936 56.836 54.840 0.099 0.000 0.759 510 L CB -1.640 40.480 42.059 0.101 0.000 0.888 510 L HN -0.155 nan 8.230 nan 0.000 0.433 511 L N -0.057 121.190 121.223 0.041 0.000 2.129 511 L HA -0.183 4.011 4.340 -0.243 0.000 0.212 511 L C 2.568 179.435 176.870 -0.005 0.000 1.087 511 L CA 1.990 56.837 54.840 0.011 0.000 0.757 511 L CB -1.230 40.814 42.059 -0.024 0.000 0.896 511 L HN 0.437 nan 8.230 nan 0.000 0.434 512 A N -1.861 120.963 122.820 0.006 0.000 1.972 512 A HA -0.274 3.900 4.320 -0.243 0.000 0.219 512 A C 2.552 180.040 177.584 -0.160 0.000 1.169 512 A CA 1.646 53.699 52.037 0.026 0.000 0.635 512 A CB -1.360 17.730 19.000 0.151 0.000 0.810 512 A HN 0.627 nan 8.150 nan 0.000 0.446 513 c N -0.450 118.027 118.600 -0.206 0.000 2.489 513 c HA 0.027 4.451 4.570 -0.243 0.000 0.279 513 c C 2.575 176.324 174.090 -0.570 0.000 1.266 513 c CA 1.091 56.964 56.329 -0.761 0.000 1.707 513 c CB -1.511 40.863 42.510 -0.228 0.000 2.059 513 c HN 0.570 nan 8.230 nan 0.000 0.481 514 L N 0.713 121.863 121.223 -0.121 0.000 1.989 514 L HA -0.141 4.053 4.340 -0.243 0.000 0.211 514 L C 2.722 179.694 176.870 0.170 0.000 1.071 514 L CA 1.746 56.652 54.840 0.110 0.000 0.749 514 L CB -0.777 41.319 42.059 0.061 0.000 0.890 514 L HN 0.398 nan 8.230 nan 0.000 0.431 515 L N -0.451 120.854 121.223 0.136 0.000 2.005 515 L HA -0.088 4.106 4.340 -0.243 0.000 0.207 515 L C 2.782 179.820 176.870 0.280 0.000 1.072 515 L CA 1.413 56.450 54.840 0.328 0.000 0.744 515 L CB -1.419 40.863 42.059 0.372 0.000 0.895 515 L HN 0.289 nan 8.230 nan 0.000 0.433 516 G N -0.083 108.718 108.800 0.003 0.000 2.505 516 G HA2 -0.301 3.513 3.960 -0.243 0.000 0.220 516 G HA3 -0.301 3.513 3.960 -0.243 0.000 0.220 516 G C 1.808 176.697 174.900 -0.017 0.000 1.145 516 G CA 0.929 45.987 45.100 -0.069 0.000 0.761 516 G HN 0.256 nan 8.290 nan 0.000 0.571 517 R N -0.653 119.728 120.500 -0.198 0.000 2.066 517 R HA -0.050 4.144 4.340 -0.243 0.000 0.232 517 R C 2.729 179.062 176.300 0.055 0.000 1.131 517 R CA 1.459 57.505 56.100 -0.090 0.000 0.955 517 R CB -0.374 29.779 30.300 -0.244 0.000 0.851 517 R HN 0.359 nan 8.270 nan 0.000 0.432 518 Q N 0.177 120.052 119.800 0.124 0.000 2.096 518 Q HA -0.141 4.053 4.340 -0.243 0.000 0.204 518 Q C 1.534 177.374 176.000 -0.267 0.000 0.982 518 Q CA 1.842 57.562 55.803 -0.138 0.000 0.850 518 Q CB -0.196 28.119 28.738 -0.704 0.000 0.901 518 Q HN 0.249 nan 8.270 nan 0.000 0.422 519 F N -0.010 119.939 119.950 -0.003 0.000 2.558 519 F HA 0.019 4.399 4.527 -0.245 0.000 0.298 519 F C 2.361 178.278 175.800 0.196 0.000 1.119 519 F CA 0.809 58.868 58.000 0.099 0.000 1.451 519 F CB -0.194 38.790 39.000 -0.026 0.000 1.091 519 F HN 0.228 nan 8.300 nan 0.000 0.563 520 Q N 0.667 120.635 119.800 0.281 0.000 2.049 520 Q HA -0.189 4.005 4.340 -0.243 0.000 0.198 520 Q C 1.994 178.061 176.000 0.111 0.000 0.971 520 Q CA 1.509 57.440 55.803 0.213 0.000 0.833 520 Q CB -0.184 28.663 28.738 0.181 0.000 0.896 520 Q HN 0.452 nan 8.270 nan 0.000 0.434 521 Q N 0.495 120.335 119.800 0.067 0.000 2.050 521 Q HA -0.126 4.069 4.340 -0.243 0.000 0.202 521 Q C 2.216 178.225 176.000 0.014 0.000 0.980 521 Q CA 1.719 57.536 55.803 0.023 0.000 0.840 521 Q CB -0.260 28.491 28.738 0.021 0.000 0.898 521 Q HN 0.620 nan 8.270 nan 0.000 0.424 522 I N -1.930 118.644 120.570 0.008 0.000 3.176 522 I HA -0.102 3.922 4.170 -0.243 0.000 0.275 522 I C 2.194 178.327 176.117 0.027 0.000 1.298 522 I CA 0.923 62.239 61.300 0.026 0.000 1.445 522 I CB -0.207 37.793 38.000 0.000 0.000 1.075 522 I HN 0.060 nan 8.210 nan 0.000 0.482 523 R N 1.334 121.768 120.500 -0.110 0.000 2.087 523 R HA -0.044 4.151 4.340 -0.243 0.000 0.216 523 R C 1.554 177.631 176.300 -0.372 0.000 1.114 523 R CA 1.113 56.851 56.100 -0.603 0.000 1.002 523 R CB 0.036 29.837 30.300 -0.832 0.000 0.903 523 R HN 0.258 nan 8.270 nan 0.000 0.445 524 D N -0.175 120.155 120.400 -0.117 0.000 2.219 524 D HA -0.056 4.438 4.640 -0.243 0.000 0.205 524 D C 1.399 177.696 176.300 -0.006 0.000 0.970 524 D CA 1.336 55.331 54.000 -0.007 0.000 0.851 524 D CB -0.153 40.639 40.800 -0.013 0.000 0.943 524 D HN 0.485 nan 8.370 nan 0.000 0.488 525 G N -0.320 108.498 108.800 0.030 0.000 3.141 525 G HA2 -0.044 3.770 3.960 -0.243 0.000 0.218 525 G HA3 -0.044 3.770 3.960 -0.243 0.000 0.218 525 G C -0.047 175.093 174.900 0.401 0.000 1.170 525 G CA -0.249 44.901 45.100 0.083 0.000 0.769 525 G HN 0.005 nan 8.290 nan 0.000 0.546 526 D N -0.085 120.584 120.400 0.449 0.000 2.359 526 D HA 0.276 4.771 4.640 -0.243 0.000 0.230 526 D C 1.415 178.036 176.300 0.535 0.000 1.118 526 D CA -0.600 53.737 54.000 0.562 0.000 0.844 526 D CB 1.126 42.260 40.800 0.556 0.000 1.059 526 D HN -0.001 nan 8.370 nan 0.000 0.493 527 R N 2.486 123.174 120.500 0.313 0.000 2.189 527 R HA -0.012 4.182 4.340 -0.243 0.000 0.223 527 R C 0.745 176.819 176.300 -0.378 0.000 1.092 527 R CA 0.943 56.829 56.100 -0.356 0.000 0.989 527 R CB 0.054 29.937 30.300 -0.695 0.000 0.876 527 R HN 0.403 nan 8.270 nan 0.000 0.457 528 F N -0.762 119.218 119.950 0.051 0.000 2.639 528 F HA 0.130 4.508 4.527 -0.249 0.000 0.300 528 F C 0.426 176.388 175.800 0.270 0.000 1.109 528 F CA -0.662 57.393 58.000 0.091 0.000 1.335 528 F CB -0.053 38.955 39.000 0.014 0.000 1.014 528 F HN 0.106 nan 8.300 nan 0.000 0.537 529 W N 2.406 123.809 121.300 0.172 0.000 2.231 529 W HA -0.133 4.393 4.660 -0.224 0.000 0.341 529 W C 1.254 177.866 176.519 0.154 0.000 1.298 529 W CA -0.574 56.840 57.345 0.116 0.000 1.266 529 W CB 0.474 29.890 29.460 -0.073 0.000 1.172 529 W HN 0.461 nan 8.180 nan 0.000 0.568 530 W N 3.999 124.943 121.300 -0.593 0.000 2.519 530 W HA -0.051 4.470 4.660 -0.232 0.000 0.266 530 W C 0.570 176.901 176.519 -0.315 0.000 1.253 530 W CA 0.923 58.096 57.345 -0.287 0.000 1.274 530 W CB -0.551 28.570 29.460 -0.565 0.000 1.114 530 W HN 0.442 nan 8.180 nan 0.000 0.596 531 E N 1.245 120.290 120.200 -1.926 0.000 2.403 531 E HA -0.065 4.140 4.350 -0.243 0.000 0.187 531 E C -0.025 176.479 176.600 -0.161 0.000 1.073 531 E CA -0.194 55.428 56.400 -1.296 0.000 0.888 531 E CB -0.345 28.622 29.700 -1.221 0.000 1.035 531 E HN 0.003 nan 8.360 nan 0.000 0.471 532 N N 1.993 120.678 118.700 -0.025 0.000 2.406 532 N HA 0.081 4.675 4.740 -0.243 0.000 0.251 532 N C -2.656 172.900 175.510 0.076 0.000 1.069 532 N CA -2.300 50.873 53.050 0.204 0.000 0.947 532 N CB 0.810 39.416 38.487 0.200 0.000 1.111 532 N HN -0.236 nan 8.380 nan 0.000 0.497 533 P HA 0.015 nan 4.420 nan 0.000 0.235 533 P C 0.493 177.780 177.300 -0.021 0.000 1.080 533 P CA 0.834 63.943 63.100 0.015 0.000 1.096 533 P CB -0.163 31.540 31.700 0.005 0.000 1.085 534 G N 0.618 109.405 108.800 -0.023 0.000 3.709 534 G HA2 -0.228 3.587 3.960 -0.243 0.000 0.196 534 G HA3 -0.228 3.587 3.960 -0.243 0.000 0.196 534 G C 1.032 175.876 174.900 -0.094 0.000 1.177 534 G CA 0.056 45.113 45.100 -0.071 0.000 0.906 534 G HN 0.236 nan 8.290 nan 0.000 0.416 535 V N 1.181 121.038 119.914 -0.095 0.000 2.231 535 V HA 0.035 4.009 4.120 -0.243 0.000 0.250 535 V C 1.480 177.397 176.094 -0.296 0.000 1.058 535 V CA 2.325 64.517 62.300 -0.180 0.000 1.022 535 V CB -0.675 31.128 31.823 -0.034 0.000 0.640 535 V HN 0.310 nan 8.190 nan 0.000 0.445 536 F N -1.031 118.918 119.950 -0.001 0.000 2.639 536 F HA 0.556 4.909 4.527 -0.290 0.000 0.339 536 F C 0.610 176.350 175.800 -0.101 0.000 1.071 536 F CA -0.819 57.156 58.000 -0.042 0.000 0.994 536 F CB 0.900 39.922 39.000 0.038 0.000 1.341 536 F HN -0.108 nan 8.300 nan 0.000 0.498 537 T N -2.412 112.150 114.554 0.012 0.000 2.913 537 T HA 0.197 4.402 4.350 -0.243 0.000 0.287 537 T C 0.863 175.559 174.700 -0.008 0.000 1.008 537 T CA -0.593 61.482 62.100 -0.042 0.000 1.067 537 T CB 1.484 70.282 68.868 -0.117 0.000 0.996 537 T HN 0.640 nan 8.240 nan 0.000 0.513 538 E N 0.919 121.120 120.200 0.002 0.000 2.086 538 E HA -0.216 3.989 4.350 -0.243 0.000 0.200 538 E C 1.903 178.518 176.600 0.024 0.000 1.012 538 E CA 1.588 57.999 56.400 0.019 0.000 0.812 538 E CB -0.037 29.670 29.700 0.011 0.000 0.743 538 E HN 0.619 nan 8.360 nan 0.000 0.453 539 K N 0.150 120.551 120.400 0.002 0.000 2.057 539 K HA -0.146 4.028 4.320 -0.243 0.000 0.206 539 K C 2.310 178.927 176.600 0.028 0.000 1.050 539 K CA 0.934 57.233 56.287 0.020 0.000 0.935 539 K CB -0.278 32.229 32.500 0.011 0.000 0.715 539 K HN 0.238 nan 8.250 nan 0.000 0.439 540 Q N 0.379 120.125 119.800 -0.090 0.000 2.197 540 Q HA -0.158 4.037 4.340 -0.243 0.000 0.207 540 Q C 2.188 178.250 176.000 0.103 0.000 0.984 540 Q CA 1.359 57.018 55.803 -0.241 0.000 0.869 540 Q CB -0.008 28.250 28.738 -0.799 0.000 0.906 540 Q HN 0.246 nan 8.270 nan 0.000 0.426 541 R N 0.454 121.018 120.500 0.107 0.000 2.062 541 R HA -0.118 4.077 4.340 -0.243 0.000 0.231 541 R C 1.731 178.153 176.300 0.202 0.000 1.136 541 R CA 1.497 57.721 56.100 0.206 0.000 0.948 541 R CB -0.287 30.126 30.300 0.189 0.000 0.845 541 R HN 0.384 nan 8.270 nan 0.000 0.430 542 D N 0.275 120.763 120.400 0.147 0.000 2.218 542 D HA -0.125 4.369 4.640 -0.243 0.000 0.204 542 D C 1.754 178.120 176.300 0.110 0.000 0.976 542 D CA 0.936 55.007 54.000 0.118 0.000 0.853 542 D CB -0.214 40.640 40.800 0.090 0.000 0.939 542 D HN 0.068 nan 8.370 nan 0.000 0.481 543 S N 0.201 115.995 115.700 0.157 0.000 2.355 543 S HA -0.057 4.267 4.470 -0.243 0.000 0.222 543 S C 2.112 176.768 174.600 0.093 0.000 1.031 543 S CA 0.452 58.755 58.200 0.171 0.000 0.993 543 S CB -0.174 63.240 63.200 0.358 0.000 0.859 543 S HN 0.168 nan 8.310 nan 0.000 0.453 544 L N 1.856 123.130 121.223 0.086 0.000 2.093 544 L HA -0.106 4.088 4.340 -0.243 0.000 0.208 544 L C 2.475 179.228 176.870 -0.195 0.000 1.085 544 L CA 1.129 55.910 54.840 -0.098 0.000 0.755 544 L CB -0.602 41.316 42.059 -0.234 0.000 0.904 544 L HN 0.505 nan 8.230 nan 0.000 0.435 545 Q N 0.256 119.987 119.800 -0.116 0.000 2.557 545 Q HA -0.196 3.999 4.340 -0.243 0.000 0.217 545 Q C 1.274 177.223 176.000 -0.085 0.000 0.978 545 Q CA 0.862 56.601 55.803 -0.107 0.000 0.950 545 Q CB -0.346 28.409 28.738 0.028 0.000 0.991 545 Q HN 0.424 nan 8.270 nan 0.000 0.533 546 K N 1.377 121.731 120.400 -0.077 0.000 2.410 546 K HA 0.119 4.293 4.320 -0.243 0.000 0.200 546 K C 0.016 176.564 176.600 -0.086 0.000 1.023 546 K CA -0.131 56.120 56.287 -0.060 0.000 1.149 546 K CB 0.671 33.156 32.500 -0.025 0.000 0.859 546 K HN 0.174 nan 8.250 nan 0.000 0.514 547 V N -0.888 118.943 119.914 -0.138 0.000 2.617 547 V HA 0.567 4.541 4.120 -0.243 0.000 0.298 547 V C -0.148 175.831 176.094 -0.192 0.000 1.048 547 V CA -0.768 61.441 62.300 -0.152 0.000 0.964 547 V CB 1.499 33.206 31.823 -0.194 0.000 1.004 547 V HN 0.160 nan 8.190 nan 0.000 0.466 548 S N 2.421 118.029 115.700 -0.153 0.000 2.588 548 S HA 0.595 4.919 4.470 -0.243 0.000 0.275 548 S C -0.115 174.428 174.600 -0.095 0.000 1.130 548 S CA -0.508 57.607 58.200 -0.141 0.000 0.855 548 S CB 1.665 64.811 63.200 -0.091 0.000 1.116 548 S HN 0.809 nan 8.310 nan 0.000 0.472 549 F N 1.887 121.702 119.950 -0.225 0.000 2.456 549 F HA 0.111 4.497 4.527 -0.235 0.000 0.298 549 F C 2.230 177.996 175.800 -0.057 0.000 1.104 549 F CA 1.239 59.164 58.000 -0.125 0.000 1.435 549 F CB -0.222 38.598 39.000 -0.301 0.000 1.078 549 F HN 0.646 nan 8.300 nan 0.000 0.546 550 S N 0.187 115.897 115.700 0.017 0.000 2.382 550 S HA -0.209 4.115 4.470 -0.243 0.000 0.228 550 S C 1.974 176.541 174.600 -0.054 0.000 1.027 550 S CA 1.294 59.485 58.200 -0.015 0.000 0.991 550 S CB -0.309 62.874 63.200 -0.027 0.000 0.823 550 S HN 0.290 nan 8.310 nan 0.000 0.469 551 R N 1.543 122.010 120.500 -0.055 0.000 2.075 551 R HA 0.057 4.251 4.340 -0.243 0.000 0.232 551 R C 2.160 178.404 176.300 -0.093 0.000 1.126 551 R CA 0.982 57.050 56.100 -0.053 0.000 0.963 551 R CB -1.062 29.220 30.300 -0.031 0.000 0.858 551 R HN 0.381 nan 8.270 nan 0.000 0.435 552 L N 0.450 121.601 121.223 -0.121 0.000 2.021 552 L HA -0.186 4.009 4.340 -0.243 0.000 0.215 552 L C 1.962 178.656 176.870 -0.293 0.000 1.074 552 L CA 1.954 56.643 54.840 -0.252 0.000 0.760 552 L CB -0.478 41.323 42.059 -0.431 0.000 0.889 552 L HN 0.328 nan 8.230 nan 0.000 0.433 553 I N -1.427 118.963 120.570 -0.299 0.000 2.142 553 I HA -0.384 3.640 4.170 -0.243 0.000 0.240 553 I C 2.592 178.639 176.117 -0.117 0.000 1.078 553 I CA 1.544 62.733 61.300 -0.186 0.000 1.343 553 I CB -0.714 37.236 38.000 -0.083 0.000 1.046 553 I HN 0.413 nan 8.210 nan 0.000 0.405 554 c N 1.056 119.608 118.600 -0.080 0.000 2.398 554 c HA -0.222 4.202 4.570 -0.243 0.000 0.276 554 c C 2.421 176.468 174.090 -0.071 0.000 1.222 554 c CA 1.209 57.509 56.329 -0.048 0.000 1.746 554 c CB -1.162 41.334 42.510 -0.025 0.000 2.039 554 c HN 0.544 nan 8.230 nan 0.000 0.470 555 D N 0.417 120.761 120.400 -0.094 0.000 2.219 555 D HA -0.057 4.437 4.640 -0.243 0.000 0.205 555 D C 1.353 177.577 176.300 -0.126 0.000 0.970 555 D CA 1.040 54.980 54.000 -0.100 0.000 0.851 555 D CB -0.483 40.249 40.800 -0.113 0.000 0.943 555 D HN 0.558 nan 8.370 nan 0.000 0.488 556 N N -0.250 118.358 118.700 -0.154 0.000 2.200 556 N HA 0.050 4.645 4.740 -0.243 0.000 0.224 556 N C 0.051 175.438 175.510 -0.204 0.000 1.179 556 N CA 0.191 53.138 53.050 -0.172 0.000 0.877 556 N CB 1.446 39.828 38.487 -0.174 0.000 1.072 556 N HN 0.245 nan 8.380 nan 0.000 0.519 557 T N -3.495 110.924 114.554 -0.225 0.000 2.731 557 T HA 0.332 4.536 4.350 -0.243 0.000 0.300 557 T C -0.364 174.154 174.700 -0.303 0.000 1.283 557 T CA -0.549 61.391 62.100 -0.266 0.000 1.005 557 T CB 1.418 70.212 68.868 -0.124 0.000 1.420 557 T HN 0.050 nan 8.240 nan 0.000 0.503 558 H N -0.553 118.514 119.070 -0.004 0.000 2.524 558 H HA 0.493 4.905 4.556 -0.239 0.000 0.299 558 H C -0.158 175.156 175.328 -0.024 0.000 1.074 558 H CA -0.428 55.612 56.048 -0.013 0.000 1.115 558 H CB -0.177 29.574 29.762 -0.019 0.000 1.522 558 H HN 0.311 nan 8.280 nan 0.000 0.543 559 I N 1.262 121.866 120.570 0.056 0.000 2.371 559 I HA 0.008 4.032 4.170 -0.243 0.000 0.290 559 I C 0.813 176.981 176.117 0.085 0.000 1.028 559 I CA 0.125 61.450 61.300 0.042 0.000 1.345 559 I CB 1.593 39.620 38.000 0.045 0.000 1.407 559 I HN 0.303 nan 8.210 nan 0.000 0.501 560 T N 2.709 117.326 114.554 0.104 0.000 3.001 560 T HA 0.221 4.425 4.350 -0.243 0.000 0.251 560 T C 0.417 175.226 174.700 0.182 0.000 1.040 560 T CA -0.119 62.054 62.100 0.123 0.000 0.985 560 T CB 0.129 69.057 68.868 0.101 0.000 1.011 560 T HN 0.301 nan 8.240 nan 0.000 0.509 561 K N 2.533 123.105 120.400 0.288 0.000 2.463 561 K HA 0.669 4.843 4.320 -0.243 0.000 0.255 561 K C -0.710 176.227 176.600 0.562 0.000 0.942 561 K CA -0.565 55.977 56.287 0.424 0.000 0.814 561 K CB 2.700 35.547 32.500 0.578 0.000 1.122 561 K HN 0.212 nan 8.250 nan 0.000 0.425 562 V N -0.303 119.806 119.914 0.326 0.000 3.160 562 V HA 0.763 4.738 4.120 -0.243 0.000 0.310 562 V C -2.919 173.004 176.094 -0.285 0.000 1.181 562 V CA -2.539 59.829 62.300 0.114 0.000 1.047 562 V CB 2.401 34.272 31.823 0.081 0.000 1.068 562 V HN 0.432 nan 8.190 nan 0.000 0.441 563 P HA 0.580 nan 4.420 nan 0.000 0.285 563 P C 0.171 177.352 177.300 -0.198 0.000 1.285 563 P CA -0.612 62.167 63.100 -0.536 0.000 0.854 563 P CB 1.542 32.814 31.700 -0.713 0.000 1.180 564 L N 0.017 121.191 121.223 -0.081 0.000 2.240 564 L HA 0.020 4.214 4.340 -0.243 0.000 0.211 564 L C 0.998 178.017 176.870 0.248 0.000 1.106 564 L CA 1.430 56.342 54.840 0.121 0.000 0.793 564 L CB -0.857 41.349 42.059 0.246 0.000 0.927 564 L HN 0.442 nan 8.230 nan 0.000 0.446 565 H N -1.648 117.346 119.070 -0.127 0.000 2.340 565 H HA 0.342 4.754 4.556 -0.241 0.000 0.233 565 H C 1.290 176.554 175.328 -0.107 0.000 1.435 565 H CA 0.052 56.053 56.048 -0.078 0.000 1.389 565 H CB 0.699 30.433 29.762 -0.046 0.000 1.491 565 H HN 0.137 nan 8.280 nan 0.000 0.518 566 A N 1.487 124.263 122.820 -0.074 0.000 2.054 566 A HA -0.252 3.922 4.320 -0.243 0.000 0.223 566 A C 1.412 178.819 177.584 -0.294 0.000 1.169 566 A CA 1.662 53.565 52.037 -0.224 0.000 0.655 566 A CB -0.573 18.239 19.000 -0.312 0.000 0.812 566 A HN 0.438 nan 8.150 nan 0.000 0.462 567 F N 0.077 120.033 119.950 0.011 0.000 2.187 567 F HA 0.022 4.400 4.527 -0.247 0.000 0.295 567 F C 1.752 177.558 175.800 0.010 0.000 1.091 567 F CA 1.055 59.083 58.000 0.047 0.000 1.308 567 F CB -0.395 38.651 39.000 0.077 0.000 1.030 567 F HN 0.465 nan 8.300 nan 0.000 0.487 568 Q N 1.384 121.271 119.800 0.144 0.000 2.354 568 Q HA 0.504 4.698 4.340 -0.243 0.000 0.244 568 Q C -0.060 175.951 176.000 0.018 0.000 0.969 568 Q CA -0.604 55.222 55.803 0.039 0.000 0.885 568 Q CB 1.098 29.854 28.738 0.030 0.000 1.241 568 Q HN 0.153 nan 8.270 nan 0.000 0.461 569 A N 2.874 125.696 122.820 0.004 0.000 2.565 569 A HA 0.083 4.257 4.320 -0.243 0.000 0.237 569 A C -0.684 176.909 177.584 0.016 0.000 1.053 569 A CA 0.231 52.281 52.037 0.022 0.000 0.755 569 A CB -0.511 18.501 19.000 0.020 0.000 0.980 569 A HN 0.884 nan 8.150 nan 0.000 0.506 570 N N 1.897 120.625 118.700 0.047 0.000 2.478 570 N HA 0.247 4.842 4.740 -0.243 0.000 0.291 570 N C -1.494 174.155 175.510 0.233 0.000 1.090 570 N CA -0.764 52.318 53.050 0.054 0.000 0.911 570 N CB 1.479 39.902 38.487 -0.106 0.000 1.546 570 N HN 0.701 nan 8.380 nan 0.000 0.500 571 N N 1.172 120.009 118.700 0.228 0.000 2.508 571 N HA 0.194 4.789 4.740 -0.243 0.000 0.285 571 N C -1.264 174.453 175.510 0.344 0.000 1.144 571 N CA -0.122 53.073 53.050 0.242 0.000 0.978 571 N CB 1.339 39.910 38.487 0.139 0.000 1.180 571 N HN 0.497 nan 8.380 nan 0.000 0.484 572 Y N 1.938 122.161 120.300 -0.129 0.000 2.360 572 Y HA 0.417 4.821 4.550 -0.243 0.000 0.337 572 Y C -1.569 174.235 175.900 -0.160 0.000 1.039 572 Y CA -1.541 56.284 58.100 -0.459 0.000 1.109 572 Y CB 1.463 39.131 38.460 -1.321 0.000 1.201 572 Y HN 0.452 nan 8.280 nan 0.000 0.458 573 P HA 0.025 nan 4.420 nan 0.000 0.267 573 P C 0.694 177.939 177.300 -0.092 0.000 1.289 573 P CA 0.643 63.313 63.100 -0.716 0.000 0.866 573 P CB 0.296 31.420 31.700 -0.959 0.000 1.309 574 H N 2.339 121.364 119.070 -0.074 0.000 2.265 574 H HA -0.136 4.275 4.556 -0.241 0.000 0.293 574 H C 0.988 176.345 175.328 0.048 0.000 1.089 574 H CA 2.235 58.276 56.048 -0.010 0.000 1.244 574 H CB -0.481 29.273 29.762 -0.014 0.000 1.355 574 H HN -0.017 nan 8.280 nan 0.000 0.485 575 D N -0.481 119.850 120.400 -0.116 0.000 2.323 575 D HA -0.004 4.490 4.640 -0.243 0.000 0.239 575 D C -0.604 175.576 176.300 -0.201 0.000 1.129 575 D CA 0.239 54.090 54.000 -0.248 0.000 0.865 575 D CB -0.238 40.469 40.800 -0.155 0.000 0.913 575 D HN 0.197 nan 8.370 nan 0.000 0.517 576 F N 1.098 120.969 119.950 -0.132 0.000 2.402 576 F HA 0.196 4.577 4.527 -0.242 0.000 0.355 576 F C 0.524 176.319 175.800 -0.009 0.000 1.123 576 F CA -1.220 56.766 58.000 -0.025 0.000 1.021 576 F CB 1.466 40.529 39.000 0.105 0.000 1.160 576 F HN -0.289 nan 8.300 nan 0.000 0.451 577 V N 0.183 120.145 119.914 0.080 0.000 2.975 577 V HA 0.562 4.536 4.120 -0.243 0.000 0.318 577 V C -0.353 175.812 176.094 0.118 0.000 1.077 577 V CA -0.818 61.525 62.300 0.071 0.000 1.000 577 V CB 1.927 33.755 31.823 0.008 0.000 1.066 577 V HN 0.673 nan 8.190 nan 0.000 0.452 578 D N 0.883 121.343 120.400 0.100 0.000 2.304 578 D HA 0.160 4.654 4.640 -0.243 0.000 0.247 578 D C 1.112 177.455 176.300 0.071 0.000 1.089 578 D CA -0.028 54.034 54.000 0.104 0.000 0.910 578 D CB 1.919 42.772 40.800 0.087 0.000 1.199 578 D HN 0.775 nan 8.370 nan 0.000 0.426 579 c N 1.742 120.386 118.600 0.072 0.000 2.375 579 c HA -0.245 4.179 4.570 -0.243 0.000 0.274 579 c C 2.800 176.908 174.090 0.029 0.000 1.190 579 c CA 1.733 58.089 56.329 0.045 0.000 1.775 579 c CB -1.410 41.126 42.510 0.043 0.000 2.067 579 c HN 0.817 nan 8.230 nan 0.000 0.463 580 S N 0.559 116.278 115.700 0.031 0.000 2.461 580 S HA -0.215 4.109 4.470 -0.243 0.000 0.246 580 S C 1.301 175.912 174.600 0.017 0.000 1.007 580 S CA 2.001 60.214 58.200 0.022 0.000 0.976 580 S CB -1.053 62.161 63.200 0.025 0.000 0.763 580 S HN 0.867 nan 8.310 nan 0.000 0.508 581 T N -1.309 113.256 114.554 0.020 0.000 3.122 581 T HA 0.409 4.613 4.350 -0.243 0.000 0.250 581 T C 0.234 174.938 174.700 0.008 0.000 1.067 581 T CA -0.402 61.707 62.100 0.014 0.000 0.966 581 T CB -0.178 68.700 68.868 0.017 0.000 1.002 581 T HN 0.172 nan 8.240 nan 0.000 0.542 582 V N 2.892 122.809 119.914 0.004 0.000 2.394 582 V HA 0.298 4.272 4.120 -0.243 0.000 0.282 582 V C -0.280 175.807 176.094 -0.011 0.000 1.031 582 V CA -1.171 61.126 62.300 -0.005 0.000 0.881 582 V CB 1.002 32.820 31.823 -0.009 0.000 0.982 582 V HN 0.357 nan 8.190 nan 0.000 0.451 583 D N 4.122 124.513 120.400 -0.015 0.000 2.515 583 D HA 0.160 4.655 4.640 -0.243 0.000 0.232 583 D C 0.116 176.403 176.300 -0.023 0.000 1.157 583 D CA 0.758 54.748 54.000 -0.017 0.000 0.871 583 D CB 0.476 41.263 40.800 -0.022 0.000 1.200 583 D HN 0.534 nan 8.370 nan 0.000 0.466 584 K N 0.438 120.825 120.400 -0.021 0.000 2.395 584 K HA 0.510 4.684 4.320 -0.243 0.000 0.245 584 K C -0.909 175.670 176.600 -0.035 0.000 1.017 584 K CA -1.320 54.949 56.287 -0.029 0.000 0.852 584 K CB 1.414 33.898 32.500 -0.027 0.000 1.311 584 K HN 0.121 nan 8.250 nan 0.000 0.452 585 L N 2.194 123.385 121.223 -0.054 0.000 2.385 585 L HA 0.117 4.311 4.340 -0.243 0.000 0.281 585 L C -0.706 176.122 176.870 -0.070 0.000 1.106 585 L CA 0.210 55.002 54.840 -0.081 0.000 0.856 585 L CB -0.230 41.750 42.059 -0.132 0.000 1.186 585 L HN 0.473 nan 8.230 nan 0.000 0.453 586 D N 4.263 124.651 120.400 -0.020 0.000 2.422 586 D HA 0.094 4.588 4.640 -0.243 0.000 0.227 586 D C 1.002 177.332 176.300 0.049 0.000 1.190 586 D CA 0.131 54.146 54.000 0.024 0.000 0.905 586 D CB 0.364 41.204 40.800 0.066 0.000 1.034 586 D HN 0.598 nan 8.370 nan 0.000 0.507 587 L N 2.350 123.559 121.223 -0.023 0.000 2.675 587 L HA -0.071 4.123 4.340 -0.243 0.000 0.238 587 L C 1.998 179.002 176.870 0.223 0.000 1.155 587 L CA 0.225 55.039 54.840 -0.044 0.000 0.881 587 L CB -0.365 41.616 42.059 -0.130 0.000 1.008 587 L HN 0.374 nan 8.230 nan 0.000 0.443 588 S N -0.356 115.481 115.700 0.228 0.000 2.371 588 S HA -0.024 4.300 4.470 -0.243 0.000 0.224 588 S C -0.667 174.100 174.600 0.280 0.000 1.029 588 S CA 0.262 58.591 58.200 0.216 0.000 0.978 588 S CB -1.515 61.758 63.200 0.122 0.000 0.833 588 S HN 0.234 nan 8.310 nan 0.000 0.466 589 P HA -0.031 nan 4.420 nan 0.000 0.234 589 P C 0.556 177.888 177.300 0.055 0.000 1.162 589 P CA 0.793 63.984 63.100 0.152 0.000 0.759 589 P CB -0.188 31.561 31.700 0.082 0.000 0.813 590 W N -0.396 120.967 121.300 0.105 0.000 2.640 590 W HA 0.325 4.990 4.660 0.009 0.000 0.271 590 W C 0.811 177.377 176.519 0.079 0.000 1.218 590 W CA -0.144 57.293 57.345 0.153 0.000 1.382 590 W CB -0.479 29.088 29.460 0.178 0.000 1.067 590 W HN -0.200 nan 8.180 nan 0.000 0.590 591 A N 2.119 125.080 122.820 0.235 0.000 2.567 591 A HA 0.067 4.241 4.320 -0.243 0.000 0.263 591 A C 0.427 178.008 177.584 -0.005 0.000 1.030 591 A CA 1.116 53.175 52.037 0.037 0.000 0.833 591 A CB -0.185 18.839 19.000 0.040 0.000 0.924 591 A HN 0.038 nan 8.150 nan 0.000 0.518 592 S N 2.831 118.455 115.700 -0.126 0.000 2.654 592 S HA 0.779 5.103 4.470 -0.243 0.000 0.283 592 S C -0.053 174.535 174.600 -0.021 0.000 1.180 592 S CA -0.705 57.478 58.200 -0.029 0.000 1.021 592 S CB 0.630 63.848 63.200 0.030 0.000 1.018 592 S HN 0.760 nan 8.310 nan 0.000 0.532 593 R N 1.360 121.867 120.500 0.011 0.000 2.535 593 R HA 0.285 4.480 4.340 -0.243 0.000 0.274 593 R C -0.864 175.420 176.300 -0.027 0.000 1.090 593 R CA -0.368 55.707 56.100 -0.043 0.000 0.930 593 R CB 1.364 31.643 30.300 -0.034 0.000 1.223 593 R HN 0.985 nan 8.270 nan 0.000 0.441 594 E N -0.442 119.704 120.200 -0.089 0.000 4.146 594 E HA -0.215 3.990 4.350 -0.243 0.000 0.348 594 E C -0.597 176.025 176.600 0.037 0.000 0.708 594 E CA 0.713 57.091 56.400 -0.036 0.000 1.394 594 E CB -0.991 28.709 29.700 -0.002 0.000 1.727 594 E HN 0.685 nan 8.360 nan 0.000 0.393 595 N N 0.000 118.770 118.700 0.117 0.000 1.763 595 N HA 0.000 4.594 4.740 -0.243 0.000 0.220 595 N CA 0.000 53.244 53.050 0.324 0.000 0.885 595 N CB 0.000 38.875 38.487 0.647 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667