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 2pum_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 0.000 174.789 174.600 0.315 0.000 1.055 1 S CA 0.000 58.327 58.200 0.212 0.000 1.107 1 S CB 0.000 63.340 63.200 0.233 0.000 0.593 2 W N 2.227 123.563 121.300 0.060 0.000 4.116 2 W HA -0.110 4.513 4.660 -0.062 0.000 0.438 2 W C -0.239 176.308 176.519 0.047 0.000 1.762 2 W CA 1.627 59.002 57.345 0.051 0.000 0.690 2 W CB -1.491 27.997 29.460 0.046 0.000 2.907 2 W HN 0.982 nan 8.180 nan 0.000 0.846 3 E N 0.871 121.168 120.200 0.161 0.000 3.279 3 E HA 0.033 4.346 4.350 -0.062 0.000 0.132 3 E C 1.407 178.031 176.600 0.040 0.000 0.907 3 E CA 0.618 57.090 56.400 0.120 0.000 1.491 3 E CB -0.482 29.289 29.700 0.118 0.000 1.021 3 E HN 0.003 nan 8.360 nan 0.000 0.390 4 V N -1.002 118.884 119.914 -0.046 0.000 2.395 4 V HA -0.333 3.750 4.120 -0.062 0.000 0.269 4 V C 1.083 177.094 176.094 -0.140 0.000 1.192 4 V CA 2.014 64.189 62.300 -0.208 0.000 1.120 4 V CB -1.133 30.396 31.823 -0.491 0.000 0.824 4 V HN 0.390 nan 8.190 nan 0.000 0.455 5 G N -1.490 107.267 108.800 -0.072 0.000 3.171 5 G HA2 0.523 4.446 3.960 -0.062 0.000 0.305 5 G HA3 0.523 4.446 3.960 -0.062 0.000 0.305 5 G C -1.122 173.772 174.900 -0.010 0.000 1.584 5 G CA 0.381 45.453 45.100 -0.048 0.000 1.070 5 G HN 0.494 nan 8.290 nan 0.000 0.535 6 c N 1.296 119.896 118.600 0.001 0.000 2.889 6 c HA 0.994 5.527 4.570 -0.062 0.000 0.307 6 c C 0.333 174.413 174.090 -0.016 0.000 1.251 6 c CA 0.734 57.071 56.329 0.012 0.000 1.593 6 c CB 1.112 43.657 42.510 0.058 0.000 2.104 6 c HN 1.915 nan 8.230 nan 0.000 0.476 7 G N 2.627 111.400 108.800 -0.046 0.000 2.781 7 G HA2 0.445 4.368 3.960 -0.062 0.000 0.468 7 G HA3 0.445 4.368 3.960 -0.062 0.000 0.468 7 G C -0.092 174.765 174.900 -0.071 0.000 1.186 7 G CA 0.034 45.093 45.100 -0.068 0.000 1.220 7 G HN 1.682 nan 8.290 nan 0.000 0.564 8 A N 3.077 125.835 122.820 -0.102 0.000 2.147 8 A HA 0.488 4.771 4.320 -0.062 0.000 0.211 8 A C 0.523 178.057 177.584 -0.083 0.000 1.160 8 A CA 1.395 53.380 52.037 -0.087 0.000 0.781 8 A CB -0.389 18.549 19.000 -0.102 0.000 0.842 8 A HN 0.475 nan 8.150 nan 0.000 0.475 9 P HA -0.119 nan 4.420 nan 0.000 0.216 9 P C 0.832 178.101 177.300 -0.053 0.000 1.154 9 P CA 1.539 64.587 63.100 -0.087 0.000 0.865 9 P CB -0.544 31.095 31.700 -0.102 0.000 0.789 10 V N -1.629 118.260 119.914 -0.042 0.000 2.555 10 V HA 0.025 4.107 4.120 -0.062 0.000 0.299 10 V C -2.251 173.836 176.094 -0.013 0.000 1.012 10 V CA -1.490 60.798 62.300 -0.020 0.000 1.180 10 V CB -1.201 30.613 31.823 -0.014 0.000 0.887 10 V HN -0.006 nan 8.190 nan 0.000 0.476 11 P HA 0.235 nan 4.420 nan 0.000 0.266 11 P C -0.663 176.641 177.300 0.007 0.000 1.195 11 P CA -0.044 63.059 63.100 0.005 0.000 0.768 11 P CB 0.559 32.269 31.700 0.017 0.000 0.838 12 L N 5.631 126.856 121.223 0.004 0.000 2.318 12 L HA 0.486 4.789 4.340 -0.062 0.000 0.277 12 L C -0.368 176.507 176.870 0.009 0.000 1.008 12 L CA -0.249 54.594 54.840 0.005 0.000 0.846 12 L CB 0.786 42.844 42.059 -0.001 0.000 1.220 12 L HN 0.219 nan 8.230 nan 0.000 0.423 13 V N 1.404 121.326 119.914 0.014 0.000 3.230 13 V HA 0.646 4.729 4.120 -0.062 0.000 0.302 13 V C -0.845 175.260 176.094 0.019 0.000 1.421 13 V CA -1.319 60.990 62.300 0.015 0.000 1.065 13 V CB 1.774 33.607 31.823 0.015 0.000 1.097 13 V HN 0.534 nan 8.190 nan 0.000 0.460 14 K N -0.119 120.291 120.400 0.018 0.000 2.098 14 K HA 0.722 5.005 4.320 -0.062 0.000 0.258 14 K C -0.904 175.710 176.600 0.023 0.000 0.973 14 K CA -0.117 56.182 56.287 0.019 0.000 0.898 14 K CB 1.368 33.877 32.500 0.014 0.000 1.057 14 K HN 0.964 nan 8.250 nan 0.000 0.447 15 c N 2.890 121.505 118.600 0.026 0.000 2.350 15 c HA 0.225 4.758 4.570 -0.062 0.000 0.348 15 c C 1.255 175.359 174.090 0.025 0.000 1.260 15 c CA -0.699 55.649 56.329 0.030 0.000 1.966 15 c CB 0.952 43.484 42.510 0.037 0.000 2.380 15 c HN 1.009 nan 8.230 nan 0.000 0.535 16 D N 0.630 121.045 120.400 0.026 0.000 2.183 16 D HA -0.072 4.531 4.640 -0.062 0.000 0.205 16 D C 1.213 177.523 176.300 0.016 0.000 0.962 16 D CA 1.110 55.120 54.000 0.018 0.000 0.849 16 D CB 0.072 40.880 40.800 0.014 0.000 0.978 16 D HN 0.828 nan 8.370 nan 0.000 0.488 17 E N -1.653 118.563 120.200 0.026 0.000 3.916 17 E HA -0.255 4.058 4.350 -0.062 0.000 0.331 17 E C -0.038 176.564 176.600 0.004 0.000 0.729 17 E CA 1.133 57.544 56.400 0.019 0.000 1.222 17 E CB -1.315 28.393 29.700 0.014 0.000 1.633 17 E HN 0.320 nan 8.360 nan 0.000 0.437 18 N N -0.955 117.745 118.700 -0.001 0.000 2.116 18 N HA 0.101 4.804 4.740 -0.062 0.000 0.230 18 N C -1.100 174.385 175.510 -0.042 0.000 1.326 18 N CA 0.316 53.353 53.050 -0.022 0.000 0.867 18 N CB 1.415 39.888 38.487 -0.024 0.000 1.174 18 N HN 0.012 nan 8.380 nan 0.000 0.506 19 S N 1.278 116.964 115.700 -0.024 0.000 2.531 19 S HA 0.204 4.637 4.470 -0.062 0.000 0.279 19 S C -1.771 172.761 174.600 -0.113 0.000 1.305 19 S CA -1.058 57.098 58.200 -0.073 0.000 1.058 19 S CB 0.655 63.844 63.200 -0.017 0.000 0.899 19 S HN 0.051 nan 8.310 nan 0.000 0.493 20 P HA 0.187 nan 4.420 nan 0.000 0.249 20 P C -1.175 175.770 177.300 -0.592 0.000 1.241 20 P CA 0.399 63.209 63.100 -0.483 0.000 0.781 20 P CB -0.047 31.163 31.700 -0.817 0.000 1.088 21 Y N -0.728 119.458 120.300 -0.191 0.000 2.462 21 Y HA 0.447 4.957 4.550 -0.067 0.000 0.346 21 Y C 0.985 176.499 175.900 -0.643 0.000 0.976 21 Y CA -1.668 56.176 58.100 -0.426 0.000 1.044 21 Y CB 1.280 39.585 38.460 -0.258 0.000 1.230 21 Y HN -0.340 nan 8.280 nan 0.000 0.455 22 R N 0.583 120.665 120.500 -0.696 0.000 2.694 22 R HA 0.308 4.611 4.340 -0.062 0.000 0.268 22 R C 0.305 176.458 176.300 -0.245 0.000 1.061 22 R CA -0.162 55.559 56.100 -0.633 0.000 1.133 22 R CB 0.354 30.359 30.300 -0.492 0.000 1.020 22 R HN 0.815 nan 8.270 nan 0.000 0.475 23 T N -0.852 113.625 114.554 -0.129 0.000 2.726 23 T HA 0.076 4.389 4.350 -0.062 0.000 0.294 23 T C 1.453 176.146 174.700 -0.012 0.000 1.013 23 T CA -0.780 61.299 62.100 -0.035 0.000 0.996 23 T CB 0.543 69.419 68.868 0.013 0.000 1.016 23 T HN 0.283 nan 8.240 nan 0.000 0.529 24 I N 1.430 122.016 120.570 0.025 0.000 2.500 24 I HA -0.051 4.082 4.170 -0.062 0.000 0.252 24 I C 2.751 178.918 176.117 0.083 0.000 1.142 24 I CA 1.573 62.907 61.300 0.055 0.000 1.451 24 I CB -1.507 36.532 38.000 0.064 0.000 1.093 24 I HN 0.995 nan 8.210 nan 0.000 0.430 25 T N -2.859 111.744 114.554 0.082 0.000 3.051 25 T HA 0.263 4.576 4.350 -0.062 0.000 0.255 25 T C 1.618 176.408 174.700 0.150 0.000 1.085 25 T CA 0.868 63.031 62.100 0.104 0.000 1.109 25 T CB 0.510 69.427 68.868 0.083 0.000 0.921 25 T HN 0.397 nan 8.240 nan 0.000 0.488 26 G N 1.109 110.004 108.800 0.159 0.000 2.259 26 G HA2 -0.184 3.739 3.960 -0.062 0.000 0.217 26 G HA3 -0.184 3.739 3.960 -0.062 0.000 0.217 26 G C -0.195 174.844 174.900 0.231 0.000 1.001 26 G CA -0.082 45.181 45.100 0.272 0.000 0.627 26 G HN 0.570 nan 8.290 nan 0.000 0.501 27 D N -0.113 120.380 120.400 0.155 0.000 2.478 27 D HA 0.283 4.886 4.640 -0.062 0.000 0.234 27 D C 1.461 177.819 176.300 0.098 0.000 1.154 27 D CA 1.389 55.463 54.000 0.123 0.000 0.874 27 D CB 0.708 41.559 40.800 0.084 0.000 1.198 27 D HN 0.895 nan 8.370 nan 0.000 0.455 28 c N 1.243 119.903 118.600 0.100 0.000 4.617 28 c HA -0.163 4.370 4.570 -0.062 0.000 0.260 28 c C 1.984 176.132 174.090 0.096 0.000 1.288 28 c CA 0.088 56.470 56.329 0.087 0.000 1.668 28 c CB -2.478 40.076 42.510 0.072 0.000 1.518 28 c HN 0.797 nan 8.230 nan 0.000 0.708 29 N N 1.664 120.411 118.700 0.077 0.000 2.135 29 N HA -0.086 4.617 4.740 -0.062 0.000 0.186 29 N C 0.433 175.966 175.510 0.039 0.000 1.027 29 N CA 1.228 54.278 53.050 -0.000 0.000 0.849 29 N CB -0.047 38.244 38.487 -0.326 0.000 1.002 29 N HN 0.767 nan 8.380 nan 0.000 0.425 30 N N 0.923 119.707 118.700 0.140 0.000 2.434 30 N HA 0.105 4.808 4.740 -0.062 0.000 0.272 30 N C 0.665 176.251 175.510 0.126 0.000 1.040 30 N CA -0.108 53.051 53.050 0.181 0.000 0.956 30 N CB 1.054 39.673 38.487 0.221 0.000 1.108 30 N HN 0.151 nan 8.380 nan 0.000 0.481 31 R N 2.040 122.610 120.500 0.117 0.000 2.075 31 R HA 0.031 4.334 4.340 -0.062 0.000 0.226 31 R C 1.645 177.985 176.300 0.066 0.000 1.114 31 R CA 1.078 57.225 56.100 0.078 0.000 0.972 31 R CB 0.168 30.509 30.300 0.068 0.000 0.869 31 R HN 0.612 nan 8.270 nan 0.000 0.437 32 R N -0.751 119.790 120.500 0.069 0.000 2.276 32 R HA 0.137 4.439 4.340 -0.062 0.000 0.196 32 R C 0.564 176.895 176.300 0.051 0.000 0.961 32 R CA 0.527 56.658 56.100 0.051 0.000 1.024 32 R CB 0.419 30.744 30.300 0.042 0.000 0.940 32 R HN -0.131 nan 8.270 nan 0.000 0.480 33 S N 1.468 117.210 115.700 0.071 0.000 2.216 33 S HA 0.332 4.765 4.470 -0.062 0.000 0.156 33 S C -2.234 172.421 174.600 0.091 0.000 1.665 33 S CA -1.453 56.788 58.200 0.068 0.000 1.262 33 S CB 1.325 64.568 63.200 0.072 0.000 1.207 33 S HN -0.055 nan 8.310 nan 0.000 0.427 34 P HA 0.064 nan 4.420 nan 0.000 0.225 34 P C 0.939 178.305 177.300 0.109 0.000 1.148 34 P CA 0.649 63.804 63.100 0.091 0.000 0.779 34 P CB 0.175 31.914 31.700 0.066 0.000 0.780 35 A N -1.481 121.397 122.820 0.097 0.000 2.220 35 A HA 0.116 4.399 4.320 -0.062 0.000 0.211 35 A C 0.780 178.441 177.584 0.129 0.000 1.176 35 A CA -0.077 52.020 52.037 0.101 0.000 0.834 35 A CB -0.754 18.283 19.000 0.062 0.000 0.868 35 A HN 0.068 nan 8.150 nan 0.000 0.488 36 L N 0.982 122.293 121.223 0.146 0.000 2.654 36 L HA 0.375 4.678 4.340 -0.062 0.000 0.271 36 L C 1.388 178.389 176.870 0.219 0.000 1.169 36 L CA 1.664 56.597 54.840 0.156 0.000 0.947 36 L CB -0.216 41.945 42.059 0.169 0.000 1.232 36 L HN 0.657 nan 8.230 nan 0.000 0.486 37 G N 2.676 111.522 108.800 0.076 0.000 2.176 37 G HA2 -0.174 3.749 3.960 -0.062 0.000 0.232 37 G HA3 -0.174 3.749 3.960 -0.062 0.000 0.232 37 G C 0.474 175.409 174.900 0.057 0.000 0.986 37 G CA 0.076 45.095 45.100 -0.135 0.000 0.643 37 G HN 1.061 nan 8.290 nan 0.000 0.522 38 A N 0.270 123.188 122.820 0.163 0.000 2.366 38 A HA 0.864 5.147 4.320 -0.062 0.000 0.249 38 A C 1.100 178.742 177.584 0.096 0.000 1.084 38 A CA 1.094 53.228 52.037 0.163 0.000 0.794 38 A CB 0.381 19.461 19.000 0.133 0.000 1.034 38 A HN 2.073 nan 8.150 nan 0.000 0.491 39 A N 0.783 123.666 122.820 0.105 0.000 2.296 39 A HA 0.479 4.762 4.320 -0.062 0.000 0.264 39 A C 0.779 178.396 177.584 0.055 0.000 1.097 39 A CA 0.050 52.137 52.037 0.083 0.000 0.811 39 A CB -0.191 18.871 19.000 0.104 0.000 1.072 39 A HN 1.239 nan 8.150 nan 0.000 0.495 40 N N -0.712 118.011 118.700 0.037 0.000 2.735 40 N HA -0.144 4.559 4.740 -0.062 0.000 0.248 40 N C -0.245 175.261 175.510 -0.007 0.000 1.083 40 N CA 1.577 54.630 53.050 0.005 0.000 0.703 40 N CB -0.805 37.685 38.487 0.005 0.000 1.005 40 N HN 0.711 nan 8.380 nan 0.000 0.550 41 R N -0.655 119.845 120.500 0.001 0.000 2.869 41 R HA 0.726 5.029 4.340 -0.062 0.000 0.263 41 R C -0.344 175.957 176.300 0.003 0.000 1.066 41 R CA -0.416 55.684 56.100 0.000 0.000 0.960 41 R CB 0.967 31.277 30.300 0.016 0.000 1.221 41 R HN 0.133 nan 8.270 nan 0.000 0.474 42 A N 1.482 124.310 122.820 0.014 0.000 2.498 42 A HA 0.202 4.485 4.320 -0.062 0.000 0.239 42 A C 0.074 177.673 177.584 0.026 0.000 1.068 42 A CA -0.086 51.968 52.037 0.028 0.000 0.766 42 A CB -0.092 18.937 19.000 0.049 0.000 1.003 42 A HN 0.536 nan 8.150 nan 0.000 0.497 43 L N 1.435 122.675 121.223 0.028 0.000 2.483 43 L HA 0.269 4.572 4.340 -0.062 0.000 0.276 43 L C 1.172 178.051 176.870 0.015 0.000 1.213 43 L CA -0.061 54.784 54.840 0.010 0.000 0.843 43 L CB 0.365 42.443 42.059 0.033 0.000 1.107 43 L HN 0.857 nan 8.230 nan 0.000 0.487 44 A N 4.179 126.987 122.820 -0.020 0.000 2.366 44 A HA 0.430 4.713 4.320 -0.062 0.000 0.249 44 A C -0.011 177.579 177.584 0.010 0.000 1.084 44 A CA -0.341 51.712 52.037 0.027 0.000 0.794 44 A CB 0.327 19.369 19.000 0.070 0.000 1.034 44 A HN 0.646 nan 8.150 nan 0.000 0.491 45 R N 1.125 121.699 120.500 0.123 0.000 2.310 45 R HA 0.111 4.413 4.340 -0.062 0.000 0.316 45 R C -0.297 176.189 176.300 0.309 0.000 1.004 45 R CA -0.414 55.780 56.100 0.156 0.000 0.900 45 R CB 0.603 30.997 30.300 0.157 0.000 1.152 45 R HN 0.956 nan 8.270 nan 0.000 0.513 46 W N 2.031 123.413 121.300 0.138 0.000 2.425 46 W HA 0.034 4.656 4.660 -0.064 0.000 0.277 46 W C 0.539 177.097 176.519 0.065 0.000 1.231 46 W CA 0.473 57.894 57.345 0.126 0.000 1.248 46 W CB -0.110 29.398 29.460 0.079 0.000 1.117 46 W HN 0.284 nan 8.180 nan 0.000 0.568 47 L N -1.009 120.352 121.223 0.231 0.000 2.359 47 L HA 0.366 4.669 4.340 -0.062 0.000 0.256 47 L C -2.259 174.644 176.870 0.055 0.000 1.026 47 L CA -2.253 52.609 54.840 0.036 0.000 0.828 47 L CB 1.860 43.758 42.059 -0.268 0.000 1.406 47 L HN -0.522 nan 8.230 nan 0.000 0.413 48 P HA 0.159 nan 4.420 nan 0.000 0.271 48 P C -0.690 176.617 177.300 0.011 0.000 1.216 48 P CA -0.275 62.848 63.100 0.038 0.000 0.771 48 P CB 0.727 32.445 31.700 0.030 0.000 0.864 49 A N 3.168 126.000 122.820 0.019 0.000 2.555 49 A HA 0.038 4.321 4.320 -0.062 0.000 0.233 49 A C 0.156 177.673 177.584 -0.113 0.000 1.060 49 A CA 0.266 52.248 52.037 -0.091 0.000 0.759 49 A CB -0.244 18.689 19.000 -0.112 0.000 0.995 49 A HN 0.572 nan 8.150 nan 0.000 0.506 50 E N 0.841 120.926 120.200 -0.193 0.000 2.207 50 E HA 0.414 4.727 4.350 -0.062 0.000 0.250 50 E C -1.783 174.809 176.600 -0.014 0.000 0.890 50 E CA -0.071 56.328 56.400 -0.002 0.000 0.749 50 E CB 1.161 30.922 29.700 0.101 0.000 1.193 50 E HN 0.611 nan 8.360 nan 0.000 0.423 51 Y N 0.747 121.087 120.300 0.066 0.000 2.509 51 Y HA 0.102 4.615 4.550 -0.062 0.000 0.341 51 Y C 1.568 177.143 175.900 -0.541 0.000 1.038 51 Y CA -0.872 57.111 58.100 -0.195 0.000 1.089 51 Y CB 1.441 39.788 38.460 -0.188 0.000 1.241 51 Y HN 0.509 nan 8.280 nan 0.000 0.468 52 E N 0.767 120.488 120.200 -0.799 0.000 2.097 52 E HA -0.247 4.066 4.350 -0.062 0.000 0.196 52 E C 0.343 176.729 176.600 -0.357 0.000 1.000 52 E CA 1.967 57.809 56.400 -0.930 0.000 0.804 52 E CB 0.099 29.421 29.700 -0.630 0.000 0.740 52 E HN 0.810 nan 8.360 nan 0.000 0.454 53 D N -1.920 118.331 120.400 -0.249 0.000 2.463 53 D HA 0.123 4.726 4.640 -0.062 0.000 0.224 53 D C 1.082 177.321 176.300 -0.102 0.000 1.174 53 D CA 0.499 54.404 54.000 -0.158 0.000 0.829 53 D CB 0.320 41.012 40.800 -0.179 0.000 0.993 53 D HN 0.324 nan 8.370 nan 0.000 0.497 54 G N 0.118 108.890 108.800 -0.047 0.000 2.257 54 G HA2 -0.345 3.578 3.960 -0.062 0.000 0.267 54 G HA3 -0.345 3.578 3.960 -0.062 0.000 0.267 54 G C 0.669 175.605 174.900 0.059 0.000 0.984 54 G CA 0.795 45.914 45.100 0.032 0.000 0.626 54 G HN 0.394 nan 8.290 nan 0.000 0.540 55 L N -1.607 119.578 121.223 -0.062 0.000 2.586 55 L HA 0.776 5.079 4.340 -0.062 0.000 0.204 55 L C 2.369 178.925 176.870 -0.524 0.000 1.053 55 L CA 2.430 57.170 54.840 -0.168 0.000 0.856 55 L CB -0.085 41.848 42.059 -0.210 0.000 1.192 55 L HN 0.900 nan 8.230 nan 0.000 0.484 56 A N -2.432 119.895 122.820 -0.820 0.000 2.604 56 A HA 0.274 4.557 4.320 -0.062 0.000 0.157 56 A C -0.250 176.664 177.584 -1.116 0.000 1.680 56 A CA -0.207 51.038 52.037 -1.319 0.000 1.227 56 A CB 0.249 18.744 19.000 -0.842 0.000 1.493 56 A HN 0.016 nan 8.150 nan 0.000 0.453 57 L N 2.180 122.954 121.223 -0.747 0.000 2.331 57 L HA 0.430 4.733 4.340 -0.062 0.000 0.278 57 L C -2.532 174.098 176.870 -0.398 0.000 1.106 57 L CA -1.797 52.608 54.840 -0.725 0.000 0.824 57 L CB 0.389 42.032 42.059 -0.692 0.000 1.142 57 L HN 0.047 nan 8.230 nan 0.000 0.443 58 P HA 0.189 nan 4.420 nan 0.000 0.276 58 P C -0.627 176.672 177.300 -0.001 0.000 1.252 58 P CA -0.413 62.654 63.100 -0.054 0.000 0.802 58 P CB 0.465 32.034 31.700 -0.219 0.000 1.035 59 F N 0.436 120.485 119.950 0.165 0.000 2.484 59 F HA 0.371 4.860 4.527 -0.062 0.000 0.360 59 F C 1.882 177.837 175.800 0.258 0.000 1.101 59 F CA 1.841 59.953 58.000 0.186 0.000 1.251 59 F CB 0.005 39.094 39.000 0.148 0.000 1.132 59 F HN 0.656 nan 8.300 nan 0.000 0.570 60 G N 2.609 111.667 108.800 0.430 0.000 2.213 60 G HA2 -0.287 3.636 3.960 -0.062 0.000 0.226 60 G HA3 -0.287 3.636 3.960 -0.062 0.000 0.226 60 G C 1.014 176.136 174.900 0.370 0.000 0.992 60 G CA 0.174 45.482 45.100 0.347 0.000 0.632 60 G HN 0.755 nan 8.290 nan 0.000 0.511 61 W N 1.689 123.111 121.300 0.203 0.000 2.381 61 W HA 0.108 4.731 4.660 -0.062 0.000 0.321 61 W C 0.404 176.976 176.519 0.089 0.000 1.196 61 W CA 1.957 59.397 57.345 0.159 0.000 1.304 61 W CB -0.451 28.997 29.460 -0.020 0.000 1.166 61 W HN 0.181 nan 8.180 nan 0.000 0.473 62 T N 3.131 117.881 114.554 0.327 0.000 2.749 62 T HA 0.037 4.350 4.350 -0.062 0.000 0.295 62 T C 1.160 175.926 174.700 0.109 0.000 0.936 62 T CA -0.350 61.856 62.100 0.177 0.000 1.060 62 T CB 1.498 70.480 68.868 0.190 0.000 0.904 62 T HN 0.085 nan 8.240 nan 0.000 0.500 63 Q N 2.636 122.465 119.800 0.047 0.000 2.291 63 Q HA -0.137 4.165 4.340 -0.062 0.000 0.206 63 Q C 1.741 177.775 176.000 0.055 0.000 0.976 63 Q CA 1.096 56.922 55.803 0.039 0.000 0.875 63 Q CB -0.101 28.636 28.738 -0.002 0.000 0.927 63 Q HN 0.614 nan 8.270 nan 0.000 0.450 64 R N -0.183 120.351 120.500 0.057 0.000 2.397 64 R HA 0.218 4.521 4.340 -0.062 0.000 0.241 64 R C 0.226 176.566 176.300 0.067 0.000 0.914 64 R CA -0.101 56.031 56.100 0.054 0.000 1.071 64 R CB 0.168 30.490 30.300 0.036 0.000 1.116 64 R HN -0.206 nan 8.270 nan 0.000 0.524 65 K N 2.064 122.518 120.400 0.091 0.000 2.258 65 K HA 0.174 4.457 4.320 -0.062 0.000 0.284 65 K C -0.031 176.664 176.600 0.159 0.000 1.051 65 K CA 0.118 56.469 56.287 0.106 0.000 0.923 65 K CB 1.489 34.047 32.500 0.096 0.000 1.046 65 K HN 0.392 nan 8.250 nan 0.000 0.474 66 T N -0.013 114.628 114.554 0.146 0.000 2.897 66 T HA 0.406 4.718 4.350 -0.062 0.000 0.278 66 T C 0.106 174.958 174.700 0.254 0.000 0.981 66 T CA -0.896 61.303 62.100 0.166 0.000 0.973 66 T CB 1.572 70.477 68.868 0.062 0.000 1.092 66 T HN 0.524 nan 8.240 nan 0.000 0.543 67 R N 0.875 121.478 120.500 0.171 0.000 2.310 67 R HA 0.297 4.600 4.340 -0.062 0.000 0.324 67 R C -0.260 176.052 176.300 0.020 0.000 0.955 67 R CA -0.398 55.712 56.100 0.017 0.000 0.830 67 R CB 0.012 30.088 30.300 -0.373 0.000 1.154 67 R HN 0.843 nan 8.270 nan 0.000 0.458 68 N N 3.065 121.775 118.700 0.016 0.000 2.708 68 N HA -0.221 4.482 4.740 -0.062 0.000 0.251 68 N C 0.567 175.994 175.510 -0.138 0.000 1.123 68 N CA 1.628 54.676 53.050 -0.004 0.000 0.739 68 N CB -0.969 37.552 38.487 0.058 0.000 1.113 68 N HN 1.064 nan 8.380 nan 0.000 0.561 69 G N -2.043 106.634 108.800 -0.205 0.000 2.213 69 G HA2 -0.264 3.659 3.960 -0.062 0.000 0.226 69 G HA3 -0.264 3.659 3.960 -0.062 0.000 0.226 69 G C -0.075 174.409 174.900 -0.694 0.000 0.992 69 G CA 0.255 45.054 45.100 -0.502 0.000 0.632 69 G HN 0.352 nan 8.290 nan 0.000 0.511 70 F N 0.170 120.145 119.950 0.043 0.000 2.593 70 F HA 0.763 5.253 4.527 -0.062 0.000 0.320 70 F C 0.770 176.599 175.800 0.049 0.000 1.060 70 F CA -1.243 56.781 58.000 0.040 0.000 0.940 70 F CB 1.222 40.243 39.000 0.034 0.000 1.268 70 F HN -0.093 nan 8.300 nan 0.000 0.475 71 R N 1.126 121.775 120.500 0.248 0.000 2.442 71 R HA 0.392 4.695 4.340 -0.062 0.000 0.291 71 R C -0.865 175.506 176.300 0.119 0.000 1.069 71 R CA -0.455 55.737 56.100 0.154 0.000 1.022 71 R CB 0.669 31.034 30.300 0.108 0.000 0.976 71 R HN 0.537 nan 8.270 nan 0.000 0.443 72 V N 2.792 122.772 119.914 0.110 0.000 2.637 72 V HA 0.291 4.374 4.120 -0.062 0.000 0.296 72 V C -1.697 174.371 176.094 -0.044 0.000 1.046 72 V CA -1.785 60.543 62.300 0.047 0.000 1.066 72 V CB 0.411 32.301 31.823 0.113 0.000 0.968 72 V HN 0.701 nan 8.190 nan 0.000 0.483 73 P HA 0.232 nan 4.420 nan 0.000 0.272 73 P C -0.444 176.770 177.300 -0.144 0.000 1.223 73 P CA -0.641 62.326 63.100 -0.220 0.000 0.784 73 P CB 0.778 32.217 31.700 -0.434 0.000 0.923 74 L N 1.824 122.989 121.223 -0.096 0.000 2.514 74 L HA -0.019 4.284 4.340 -0.062 0.000 0.280 74 L C 1.967 178.801 176.870 -0.060 0.000 1.223 74 L CA 0.598 55.394 54.840 -0.072 0.000 0.864 74 L CB -0.816 41.211 42.059 -0.054 0.000 1.118 74 L HN 0.593 nan 8.230 nan 0.000 0.494 75 A N 4.475 127.258 122.820 -0.062 0.000 1.859 75 A HA -0.239 4.044 4.320 -0.062 0.000 0.217 75 A C 2.244 179.838 177.584 0.018 0.000 1.198 75 A CA 1.922 53.944 52.037 -0.025 0.000 0.629 75 A CB -0.407 18.539 19.000 -0.091 0.000 0.830 75 A HN 0.811 nan 8.150 nan 0.000 0.446 76 R N 0.018 120.527 120.500 0.015 0.000 2.152 76 R HA -0.087 4.216 4.340 -0.062 0.000 0.232 76 R C 1.993 178.324 176.300 0.051 0.000 1.117 76 R CA 1.848 57.987 56.100 0.066 0.000 0.981 76 R CB -0.430 29.957 30.300 0.144 0.000 0.870 76 R HN 0.718 nan 8.270 nan 0.000 0.451 77 E N -0.585 119.628 120.200 0.022 0.000 2.107 77 E HA -0.102 4.211 4.350 -0.062 0.000 0.191 77 E C 1.647 178.255 176.600 0.013 0.000 0.982 77 E CA 1.232 57.636 56.400 0.007 0.000 0.809 77 E CB 0.188 29.877 29.700 -0.019 0.000 0.756 77 E HN 0.221 nan 8.360 nan 0.000 0.459 78 V N 0.686 120.608 119.914 0.014 0.000 2.407 78 V HA -0.248 3.835 4.120 -0.062 0.000 0.248 78 V C 2.450 178.610 176.094 0.110 0.000 1.055 78 V CA 1.846 64.181 62.300 0.058 0.000 1.049 78 V CB -0.521 31.362 31.823 0.099 0.000 0.662 78 V HN 0.249 nan 8.190 nan 0.000 0.455 79 S N 0.634 116.404 115.700 0.117 0.000 2.348 79 S HA -0.219 4.214 4.470 -0.062 0.000 0.221 79 S C 1.930 176.590 174.600 0.099 0.000 1.033 79 S CA 1.980 60.263 58.200 0.138 0.000 1.010 79 S CB -0.434 62.842 63.200 0.128 0.000 0.891 79 S HN 0.673 nan 8.310 nan 0.000 0.442 80 N N 1.381 120.117 118.700 0.060 0.000 2.166 80 N HA -0.037 4.666 4.740 -0.062 0.000 0.186 80 N C 1.579 177.115 175.510 0.043 0.000 1.019 80 N CA 1.071 54.143 53.050 0.036 0.000 0.856 80 N CB -0.228 38.263 38.487 0.006 0.000 0.993 80 N HN 0.552 nan 8.380 nan 0.000 0.426 81 K N -0.395 120.032 120.400 0.046 0.000 2.284 81 K HA 0.205 4.488 4.320 -0.062 0.000 0.198 81 K C 1.462 178.097 176.600 0.057 0.000 1.048 81 K CA 0.470 56.782 56.287 0.041 0.000 0.987 81 K CB 0.634 33.150 32.500 0.026 0.000 0.800 81 K HN 0.172 nan 8.250 nan 0.000 0.486 82 I N -0.323 120.293 120.570 0.077 0.000 3.443 82 I HA -0.102 4.031 4.170 -0.062 0.000 0.277 82 I C 1.899 178.078 176.117 0.104 0.000 1.169 82 I CA 0.243 61.592 61.300 0.081 0.000 1.419 82 I CB 0.456 38.508 38.000 0.086 0.000 1.331 82 I HN -0.246 nan 8.210 nan 0.000 0.458 83 V N 0.861 120.857 119.914 0.137 0.000 2.488 83 V HA 0.091 4.174 4.120 -0.062 0.000 0.246 83 V C 1.416 177.641 176.094 0.219 0.000 1.046 83 V CA 1.058 63.466 62.300 0.179 0.000 1.053 83 V CB -1.119 30.847 31.823 0.238 0.000 0.679 83 V HN 0.399 nan 8.190 nan 0.000 0.458 84 G N -0.706 108.196 108.800 0.170 0.000 2.537 84 G HA2 0.497 4.420 3.960 -0.062 0.000 0.273 84 G HA3 0.497 4.420 3.960 -0.062 0.000 0.273 84 G C -0.920 174.122 174.900 0.237 0.000 1.189 84 G CA 0.037 45.223 45.100 0.143 0.000 0.881 84 G HN 0.511 nan 8.290 nan 0.000 0.535 85 Y N -2.289 118.044 120.300 0.055 0.000 2.713 85 Y HA 0.573 5.086 4.550 -0.062 0.000 0.335 85 Y C -0.281 175.645 175.900 0.044 0.000 1.222 85 Y CA -1.213 56.914 58.100 0.045 0.000 1.061 85 Y CB 1.022 39.511 38.460 0.048 0.000 1.314 85 Y HN 0.278 nan 8.280 nan 0.000 0.453 86 L N 0.066 121.379 121.223 0.149 0.000 2.609 86 L HA 0.247 4.550 4.340 -0.062 0.000 0.230 86 L C -0.337 176.607 176.870 0.123 0.000 1.064 86 L CA 0.369 55.232 54.840 0.039 0.000 0.873 86 L CB 0.526 42.616 42.059 0.052 0.000 1.139 86 L HN 0.661 nan 8.230 nan 0.000 0.490 87 D N 0.524 121.100 120.400 0.294 0.000 2.412 87 D HA 0.074 4.677 4.640 -0.062 0.000 0.224 87 D C 0.827 177.316 176.300 0.316 0.000 1.093 87 D CA -0.037 54.102 54.000 0.231 0.000 0.850 87 D CB 1.180 42.071 40.800 0.152 0.000 1.046 87 D HN -0.068 nan 8.370 nan 0.000 0.507 88 E N 2.076 122.430 120.200 0.256 0.000 2.418 88 E HA -0.074 4.239 4.350 -0.062 0.000 0.197 88 E C 0.228 176.919 176.600 0.152 0.000 1.026 88 E CA 0.287 56.846 56.400 0.264 0.000 0.862 88 E CB 0.124 29.940 29.700 0.194 0.000 0.799 88 E HN 0.627 nan 8.360 nan 0.000 0.518 89 E N 0.016 120.284 120.200 0.113 0.000 2.384 89 E HA 0.154 4.467 4.350 -0.062 0.000 0.266 89 E C 0.601 177.232 176.600 0.053 0.000 1.012 89 E CA 0.601 57.045 56.400 0.074 0.000 0.901 89 E CB 0.315 30.051 29.700 0.060 0.000 0.967 89 E HN 0.259 nan 8.360 nan 0.000 0.435 90 G N 2.712 111.538 108.800 0.042 0.000 2.148 90 G HA2 -0.270 3.653 3.960 -0.062 0.000 0.254 90 G HA3 -0.270 3.653 3.960 -0.062 0.000 0.254 90 G C 0.606 175.513 174.900 0.011 0.000 0.981 90 G CA 0.283 45.397 45.100 0.023 0.000 0.670 90 G HN 0.514 nan 8.290 nan 0.000 0.528 91 V N 0.601 120.530 119.914 0.024 0.000 3.590 91 V HA 0.384 4.467 4.120 -0.062 0.000 0.265 91 V C 1.534 177.651 176.094 0.039 0.000 1.239 91 V CA 0.505 62.808 62.300 0.005 0.000 1.117 91 V CB -0.050 31.777 31.823 0.008 0.000 0.818 91 V HN 0.407 nan 8.190 nan 0.000 0.451 92 L N 1.080 122.337 121.223 0.056 0.000 2.426 92 L HA 0.240 4.543 4.340 -0.062 0.000 0.271 92 L C 0.281 177.183 176.870 0.054 0.000 1.169 92 L CA -0.021 54.860 54.840 0.068 0.000 0.836 92 L CB 0.152 42.255 42.059 0.073 0.000 1.112 92 L HN 0.089 nan 8.230 nan 0.000 0.465 93 D N 2.725 123.163 120.400 0.064 0.000 2.359 93 D HA -0.015 4.588 4.640 -0.062 0.000 0.250 93 D C 0.976 177.292 176.300 0.026 0.000 1.264 93 D CA -0.138 53.886 54.000 0.040 0.000 0.911 93 D CB 1.073 41.901 40.800 0.047 0.000 1.056 93 D HN 0.405 nan 8.370 nan 0.000 0.499 94 Q N 2.372 122.181 119.800 0.016 0.000 2.325 94 Q HA -0.197 4.106 4.340 -0.062 0.000 0.211 94 Q C 0.703 176.704 176.000 0.001 0.000 0.988 94 Q CA 1.078 56.889 55.803 0.013 0.000 0.887 94 Q CB -0.047 28.694 28.738 0.006 0.000 0.915 94 Q HN 0.402 nan 8.270 nan 0.000 0.440 95 N N -0.071 118.613 118.700 -0.028 0.000 2.365 95 N HA 0.065 4.768 4.740 -0.062 0.000 0.257 95 N C -1.231 174.218 175.510 -0.101 0.000 1.287 95 N CA -0.052 52.968 53.050 -0.051 0.000 0.882 95 N CB 0.575 39.025 38.487 -0.062 0.000 1.250 95 N HN -0.125 nan 8.380 nan 0.000 0.507 96 R N 0.271 120.726 120.500 -0.075 0.000 2.510 96 R HA 0.284 4.587 4.340 -0.062 0.000 0.287 96 R C -0.404 175.942 176.300 0.077 0.000 1.084 96 R CA -0.528 55.514 56.100 -0.095 0.000 0.934 96 R CB 0.882 30.967 30.300 -0.358 0.000 1.201 96 R HN 0.242 nan 8.270 nan 0.000 0.431 97 S N 1.778 117.562 115.700 0.140 0.000 2.608 97 S HA 0.198 4.631 4.470 -0.062 0.000 0.261 97 S C 1.452 176.183 174.600 0.219 0.000 1.314 97 S CA -0.714 57.581 58.200 0.159 0.000 0.992 97 S CB 0.787 64.061 63.200 0.124 0.000 0.935 97 S HN 0.680 nan 8.310 nan 0.000 0.564 98 L N 0.429 121.754 121.223 0.171 0.000 2.187 98 L HA -0.090 4.213 4.340 -0.062 0.000 0.213 98 L C 2.284 179.252 176.870 0.162 0.000 1.100 98 L CA 1.189 56.127 54.840 0.164 0.000 0.765 98 L CB -0.497 41.631 42.059 0.114 0.000 0.904 98 L HN 0.833 nan 8.230 nan 0.000 0.437 99 L N -1.033 120.263 121.223 0.123 0.000 2.201 99 L HA -0.225 4.078 4.340 -0.062 0.000 0.212 99 L C 2.120 179.136 176.870 0.244 0.000 1.105 99 L CA 1.471 56.335 54.840 0.040 0.000 0.775 99 L CB -0.599 41.342 42.059 -0.196 0.000 0.913 99 L HN 0.185 nan 8.230 nan 0.000 0.440 100 F N -0.259 119.859 119.950 0.280 0.000 2.069 100 F HA -0.279 4.210 4.527 -0.064 0.000 0.298 100 F C 2.473 178.499 175.800 0.377 0.000 1.113 100 F CA 2.301 60.591 58.000 0.484 0.000 1.214 100 F CB -0.420 38.805 39.000 0.375 0.000 0.978 100 F HN 0.188 nan 8.300 nan 0.000 0.474 101 M N 0.289 120.029 119.600 0.232 0.000 2.106 101 M HA -0.274 4.168 4.480 -0.062 0.000 0.259 101 M C 2.129 178.400 176.300 -0.048 0.000 1.068 101 M CA 2.162 57.489 55.300 0.044 0.000 1.100 101 M CB -0.831 31.847 32.600 0.129 0.000 1.351 101 M HN 0.426 nan 8.290 nan 0.000 0.404 102 Q N -0.464 119.343 119.800 0.012 0.000 2.187 102 Q HA -0.159 4.144 4.340 -0.062 0.000 0.199 102 Q C 1.830 177.765 176.000 -0.107 0.000 0.957 102 Q CA 1.677 57.447 55.803 -0.055 0.000 0.857 102 Q CB -0.731 28.000 28.738 -0.012 0.000 0.929 102 Q HN 0.699 nan 8.270 nan 0.000 0.453 103 W N 0.180 121.342 121.300 -0.230 0.000 2.402 103 W HA -0.055 4.568 4.660 -0.062 0.000 0.286 103 W C 1.442 177.637 176.519 -0.541 0.000 1.221 103 W CA 1.443 58.584 57.345 -0.340 0.000 1.257 103 W CB -0.259 29.059 29.460 -0.237 0.000 1.120 103 W HN 0.325 nan 8.180 nan 0.000 0.551 104 G N 0.273 108.782 108.800 -0.485 0.000 2.422 104 G HA2 -0.340 3.583 3.960 -0.062 0.000 0.218 104 G HA3 -0.340 3.583 3.960 -0.062 0.000 0.218 104 G C 1.424 175.954 174.900 -0.617 0.000 1.146 104 G CA 0.930 45.742 45.100 -0.480 0.000 0.769 104 G HN 0.373 nan 8.290 nan 0.000 0.547 105 Q N -0.436 119.028 119.800 -0.559 0.000 2.172 105 Q HA 0.042 4.345 4.340 -0.062 0.000 0.200 105 Q C 2.512 178.072 176.000 -0.734 0.000 0.964 105 Q CA 0.535 55.941 55.803 -0.663 0.000 0.855 105 Q CB -0.119 28.298 28.738 -0.535 0.000 0.918 105 Q HN 0.561 nan 8.270 nan 0.000 0.444 106 I N -0.488 119.686 120.570 -0.661 0.000 2.163 106 I HA -0.282 3.850 4.170 -0.062 0.000 0.240 106 I C 2.163 177.957 176.117 -0.539 0.000 1.081 106 I CA 0.822 61.723 61.300 -0.665 0.000 1.353 106 I CB -0.152 37.319 38.000 -0.883 0.000 1.054 106 I HN 0.055 nan 8.210 nan 0.000 0.407 107 V N 0.850 120.402 119.914 -0.604 0.000 2.255 107 V HA -0.365 3.718 4.120 -0.062 0.000 0.247 107 V C 2.360 178.523 176.094 0.115 0.000 1.051 107 V CA 2.352 64.550 62.300 -0.171 0.000 1.018 107 V CB -0.774 31.062 31.823 0.022 0.000 0.641 107 V HN 0.576 nan 8.190 nan 0.000 0.445 108 D N -0.448 119.907 120.400 -0.075 0.000 2.133 108 D HA -0.254 4.348 4.640 -0.062 0.000 0.195 108 D C 1.950 178.342 176.300 0.154 0.000 0.997 108 D CA 1.986 55.962 54.000 -0.040 0.000 0.840 108 D CB -0.301 40.061 40.800 -0.731 0.000 0.947 108 D HN 0.706 nan 8.370 nan 0.000 0.452 109 H N -0.730 118.261 119.070 -0.132 0.000 2.495 109 H HA -0.065 4.455 4.556 -0.062 0.000 0.287 109 H C 1.552 176.865 175.328 -0.025 0.000 1.033 109 H CA 0.701 56.694 56.048 -0.093 0.000 1.307 109 H CB 0.370 30.047 29.762 -0.141 0.000 1.401 109 H HN 0.208 nan 8.280 nan 0.000 0.555 110 D N 0.673 121.140 120.400 0.112 0.000 2.277 110 D HA -0.060 4.543 4.640 -0.062 0.000 0.208 110 D C 1.905 178.303 176.300 0.163 0.000 0.962 110 D CA 0.428 54.497 54.000 0.115 0.000 0.865 110 D CB 0.390 41.249 40.800 0.100 0.000 0.939 110 D HN 0.370 nan 8.370 nan 0.000 0.510 111 L N -0.247 121.094 121.223 0.197 0.000 2.316 111 L HA 0.140 4.443 4.340 -0.062 0.000 0.207 111 L C -0.128 176.837 176.870 0.157 0.000 1.070 111 L CA 0.336 55.291 54.840 0.192 0.000 0.820 111 L CB 0.204 42.436 42.059 0.288 0.000 0.992 111 L HN -0.024 nan 8.230 nan 0.000 0.466 112 D N -1.962 118.548 120.400 0.183 0.000 2.803 112 D HA 0.436 5.039 4.640 -0.062 0.000 0.218 112 D C -1.149 175.268 176.300 0.195 0.000 1.245 112 D CA -0.461 53.633 54.000 0.158 0.000 0.821 112 D CB 1.855 42.747 40.800 0.154 0.000 1.626 112 D HN -0.165 nan 8.370 nan 0.000 0.487 113 F N 1.569 121.504 119.950 -0.025 0.000 2.839 113 F HA 0.642 5.133 4.527 -0.061 0.000 0.344 113 F C -1.714 174.070 175.800 -0.027 0.000 1.242 113 F CA -1.156 56.808 58.000 -0.061 0.000 1.091 113 F CB 1.718 40.685 39.000 -0.055 0.000 1.374 113 F HN 0.742 nan 8.300 nan 0.000 0.553 114 A N 8.329 130.999 122.820 -0.250 0.000 2.444 114 A HA 0.673 4.956 4.320 -0.062 0.000 0.332 114 A C -2.613 174.648 177.584 -0.538 0.000 1.430 114 A CA -1.377 50.481 52.037 -0.299 0.000 0.975 114 A CB -0.473 18.538 19.000 0.018 0.000 1.147 114 A HN 0.422 nan 8.150 nan 0.000 0.524 115 P HA 0.198 nan 4.420 nan 0.000 0.274 115 P C -0.215 176.893 177.300 -0.321 0.000 1.237 115 P CA -0.173 62.466 63.100 -0.769 0.000 0.793 115 P CB 0.864 32.098 31.700 -0.776 0.000 0.977 116 E N -0.068 120.005 120.200 -0.211 0.000 2.392 116 E HA 0.147 4.460 4.350 -0.062 0.000 0.259 116 E C 0.058 176.580 176.600 -0.131 0.000 1.108 116 E CA -0.216 56.107 56.400 -0.129 0.000 0.916 116 E CB 0.240 29.873 29.700 -0.110 0.000 0.989 116 E HN 0.444 nan 8.360 nan 0.000 0.432 117 T N 0.427 114.942 114.554 -0.065 0.000 2.817 117 T HA 0.054 4.367 4.350 -0.062 0.000 0.295 117 T C 0.546 175.160 174.700 -0.143 0.000 0.958 117 T CA -0.223 61.837 62.100 -0.067 0.000 1.157 117 T CB 1.015 69.911 68.868 0.046 0.000 0.898 117 T HN 0.444 nan 8.240 nan 0.000 0.536 118 E N 1.272 121.370 120.200 -0.171 0.000 2.075 118 E HA 0.275 4.587 4.350 -0.062 0.000 0.193 118 E C 0.457 176.944 176.600 -0.188 0.000 0.950 118 E CA -0.173 56.092 56.400 -0.224 0.000 0.859 118 E CB 0.039 29.630 29.700 -0.182 0.000 0.846 118 E HN 0.526 nan 8.360 nan 0.000 0.467 119 L N -0.501 120.638 121.223 -0.141 0.000 3.981 119 L HA -0.179 4.124 4.340 -0.062 0.000 0.403 119 L C -0.358 176.454 176.870 -0.097 0.000 1.192 119 L CA 0.581 55.361 54.840 -0.100 0.000 0.910 119 L CB -1.129 40.896 42.059 -0.058 0.000 2.088 119 L HN 0.409 nan 8.230 nan 0.000 0.769 120 G N -1.211 107.517 108.800 -0.120 0.000 2.760 120 G HA2 0.174 4.097 3.960 -0.062 0.000 0.540 120 G HA3 0.174 4.097 3.960 -0.062 0.000 0.540 120 G C -0.380 174.439 174.900 -0.136 0.000 1.476 120 G CA -0.211 44.821 45.100 -0.112 0.000 0.949 120 G HN 0.098 nan 8.290 nan 0.000 0.633 121 S N 1.106 116.732 115.700 -0.123 0.000 3.266 121 S HA 0.374 4.807 4.470 -0.062 0.000 0.209 121 S C 0.957 175.485 174.600 -0.121 0.000 1.409 121 S CA 0.042 58.165 58.200 -0.128 0.000 1.179 121 S CB -0.202 62.930 63.200 -0.113 0.000 1.218 121 S HN 0.678 nan 8.310 nan 0.000 0.514 122 N N 1.230 119.850 118.700 -0.134 0.000 2.801 122 N HA 0.100 4.803 4.740 -0.062 0.000 0.280 122 N C -0.266 175.120 175.510 -0.208 0.000 0.835 122 N CA 0.036 53.001 53.050 -0.142 0.000 1.145 122 N CB -0.008 38.418 38.487 -0.103 0.000 1.516 122 N HN 0.364 nan 8.380 nan 0.000 1.122 123 E N 0.489 120.590 120.200 -0.166 0.000 2.452 123 E HA -0.020 4.292 4.350 -0.062 0.000 0.261 123 E C -0.627 175.864 176.600 -0.181 0.000 0.987 123 E CA 0.234 56.541 56.400 -0.154 0.000 0.926 123 E CB 0.205 29.875 29.700 -0.049 0.000 0.934 123 E HN 0.330 nan 8.360 nan 0.000 0.452 124 H N 2.486 121.576 119.070 0.033 0.000 3.195 124 H HA 0.119 4.638 4.556 -0.062 0.000 0.241 124 H C 0.422 175.803 175.328 0.090 0.000 1.823 124 H CA 0.117 56.204 56.048 0.064 0.000 1.466 124 H CB 0.333 30.146 29.762 0.085 0.000 1.819 124 H HN 0.309 nan 8.280 nan 0.000 0.575 125 S N 1.250 117.033 115.700 0.138 0.000 2.617 125 S HA 0.041 4.474 4.470 -0.062 0.000 0.278 125 S C 1.144 175.873 174.600 0.214 0.000 1.082 125 S CA -0.410 57.895 58.200 0.176 0.000 1.228 125 S CB 0.374 63.650 63.200 0.126 0.000 1.130 125 S HN 0.439 nan 8.310 nan 0.000 0.621 126 K N 0.532 120.985 120.400 0.088 0.000 2.404 126 K HA 0.292 4.575 4.320 -0.062 0.000 0.194 126 K C 0.873 177.569 176.600 0.160 0.000 1.023 126 K CA 0.591 56.926 56.287 0.080 0.000 1.094 126 K CB 0.360 32.765 32.500 -0.157 0.000 0.841 126 K HN 0.169 nan 8.250 nan 0.000 0.523 127 T N 0.165 114.818 114.554 0.164 0.000 3.028 127 T HA -0.055 4.258 4.350 -0.062 0.000 0.250 127 T C 1.563 176.363 174.700 0.167 0.000 0.979 127 T CA 0.027 62.215 62.100 0.146 0.000 1.004 127 T CB 0.371 69.349 68.868 0.183 0.000 1.120 127 T HN 0.166 nan 8.240 nan 0.000 0.482 128 Q N 0.116 120.071 119.800 0.258 0.000 2.291 128 Q HA -0.100 4.203 4.340 -0.062 0.000 0.206 128 Q C 2.287 178.429 176.000 0.238 0.000 0.976 128 Q CA 1.430 57.425 55.803 0.321 0.000 0.875 128 Q CB -0.264 28.630 28.738 0.260 0.000 0.927 128 Q HN 0.542 nan 8.270 nan 0.000 0.450 129 c N -0.244 118.476 118.600 0.200 0.000 2.564 129 c HA 0.044 4.577 4.570 -0.062 0.000 0.281 129 c C 2.418 176.535 174.090 0.045 0.000 1.314 129 c CA 0.291 56.689 56.329 0.114 0.000 1.706 129 c CB -0.538 42.060 42.510 0.147 0.000 2.109 129 c HN 0.564 nan 8.230 nan 0.000 0.502 130 E N 0.870 121.139 120.200 0.116 0.000 2.035 130 E HA -0.203 4.110 4.350 -0.062 0.000 0.204 130 E C 2.112 178.654 176.600 -0.096 0.000 1.025 130 E CA 1.803 58.243 56.400 0.067 0.000 0.835 130 E CB -0.378 29.391 29.700 0.116 0.000 0.764 130 E HN 0.713 nan 8.360 nan 0.000 0.457 131 E N -0.716 119.334 120.200 -0.250 0.000 2.086 131 E HA -0.109 4.204 4.350 -0.062 0.000 0.190 131 E C 1.918 178.179 176.600 -0.565 0.000 0.975 131 E CA 0.823 56.882 56.400 -0.568 0.000 0.813 131 E CB -0.199 28.832 29.700 -1.114 0.000 0.768 131 E HN 0.462 nan 8.360 nan 0.000 0.457 132 Y N -0.596 119.699 120.300 -0.009 0.000 2.458 132 Y HA 0.189 4.702 4.550 -0.062 0.000 0.256 132 Y C 0.816 176.682 175.900 -0.057 0.000 1.159 132 Y CA -0.487 57.596 58.100 -0.028 0.000 1.261 132 Y CB 0.011 38.461 38.460 -0.017 0.000 1.119 132 Y HN -0.042 nan 8.280 nan 0.000 0.524 133 c N 1.727 120.328 118.600 0.002 0.000 4.268 133 c HA -0.247 4.286 4.570 -0.062 0.000 0.299 133 c C 0.453 174.509 174.090 -0.058 0.000 1.429 133 c CA -0.645 55.639 56.329 -0.074 0.000 2.018 133 c CB -3.121 39.311 42.510 -0.131 0.000 1.277 133 c HN 0.366 nan 8.230 nan 0.000 0.767 134 I N 1.086 121.657 120.570 0.002 0.000 2.301 134 I HA 0.179 4.312 4.170 -0.062 0.000 0.292 134 I C 0.729 176.814 176.117 -0.053 0.000 1.046 134 I CA 0.546 61.835 61.300 -0.018 0.000 1.282 134 I CB 0.620 38.637 38.000 0.030 0.000 1.409 134 I HN 0.391 nan 8.210 nan 0.000 0.484 135 Q N 5.366 125.082 119.800 -0.139 0.000 2.311 135 Q HA 0.483 4.786 4.340 -0.062 0.000 0.272 135 Q C -0.186 175.710 176.000 -0.173 0.000 1.012 135 Q CA 0.000 55.664 55.803 -0.232 0.000 0.891 135 Q CB 0.919 29.383 28.738 -0.458 0.000 1.201 135 Q HN 0.907 nan 8.270 nan 0.000 0.391 136 G N 3.057 111.847 108.800 -0.016 0.000 2.402 136 G HA2 0.191 4.114 3.960 -0.062 0.000 0.301 136 G HA3 0.191 4.114 3.960 -0.062 0.000 0.301 136 G C -1.267 173.856 174.900 0.372 0.000 1.615 136 G CA -0.273 44.957 45.100 0.217 0.000 0.889 136 G HN 0.742 nan 8.290 nan 0.000 0.647 137 D N -0.173 120.473 120.400 0.411 0.000 3.417 137 D HA -0.232 4.371 4.640 -0.062 0.000 0.163 137 D C 1.160 177.663 176.300 0.338 0.000 1.070 137 D CA 1.408 55.575 54.000 0.277 0.000 1.047 137 D CB -0.359 40.563 40.800 0.203 0.000 0.514 137 D HN 0.505 nan 8.370 nan 0.000 0.532 138 N N 0.079 118.954 118.700 0.292 0.000 2.449 138 N HA 0.038 4.741 4.740 -0.062 0.000 0.191 138 N C 0.270 176.054 175.510 0.456 0.000 1.161 138 N CA 0.169 53.425 53.050 0.344 0.000 0.863 138 N CB -0.204 38.462 38.487 0.298 0.000 0.980 138 N HN 0.308 nan 8.380 nan 0.000 0.458 139 c N 1.091 119.918 118.600 0.379 0.000 2.285 139 c HA 0.491 5.024 4.570 -0.062 0.000 0.335 139 c C -0.364 173.889 174.090 0.273 0.000 1.267 139 c CA -0.674 55.752 56.329 0.161 0.000 1.762 139 c CB -1.358 41.209 42.510 0.095 0.000 2.365 139 c HN 0.330 nan 8.230 nan 0.000 0.527 140 F N 9.515 129.497 119.950 0.052 0.000 2.872 140 F HA 0.461 4.950 4.527 -0.062 0.000 0.363 140 F C -2.549 173.238 175.800 -0.021 0.000 1.357 140 F CA -2.594 55.469 58.000 0.105 0.000 1.174 140 F CB 0.808 40.057 39.000 0.415 0.000 1.860 140 F HN 0.471 nan 8.300 nan 0.000 0.615 141 P HA 0.315 nan 4.420 nan 0.000 0.276 141 P C -0.246 176.750 177.300 -0.505 0.000 1.244 141 P CA -0.135 62.749 63.100 -0.361 0.000 0.801 141 P CB 1.969 33.496 31.700 -0.288 0.000 1.006 142 I N 2.664 122.979 120.570 -0.426 0.000 2.281 142 I HA 0.133 4.265 4.170 -0.062 0.000 0.293 142 I C 0.886 176.734 176.117 -0.449 0.000 1.085 142 I CA -0.402 60.648 61.300 -0.416 0.000 1.257 142 I CB 0.173 38.003 38.000 -0.284 0.000 1.430 142 I HN 0.084 nan 8.210 nan 0.000 0.489 143 M N 6.042 125.414 119.600 -0.381 0.000 2.243 143 M HA 0.273 4.716 4.480 -0.062 0.000 0.341 143 M C -0.231 175.937 176.300 -0.220 0.000 1.130 143 M CA 0.272 55.361 55.300 -0.350 0.000 1.162 143 M CB -0.143 32.325 32.600 -0.221 0.000 1.497 143 M HN 0.252 nan 8.290 nan 0.000 0.456 144 F N 2.565 122.454 119.950 -0.101 0.000 2.394 144 F HA 0.320 4.810 4.527 -0.062 0.000 0.340 144 F C -1.412 174.347 175.800 -0.069 0.000 1.105 144 F CA -2.027 55.923 58.000 -0.083 0.000 1.124 144 F CB 0.714 39.667 39.000 -0.077 0.000 1.145 144 F HN 0.348 nan 8.300 nan 0.000 0.505 145 P HA -0.041 nan 4.420 nan 0.000 0.268 145 P C -1.092 176.233 177.300 0.042 0.000 1.208 145 P CA -0.329 62.806 63.100 0.058 0.000 0.777 145 P CB 0.468 32.185 31.700 0.028 0.000 0.875 146 K N 1.853 122.264 120.400 0.017 0.000 2.326 146 K HA 0.106 4.389 4.320 -0.062 0.000 0.275 146 K C 0.019 176.614 176.600 -0.008 0.000 1.018 146 K CA 0.069 56.360 56.287 0.007 0.000 0.962 146 K CB -0.310 32.192 32.500 0.003 0.000 0.953 146 K HN 0.490 nan 8.250 nan 0.000 0.475 147 N N -0.435 118.255 118.700 -0.017 0.000 2.984 147 N HA -0.198 4.505 4.740 -0.062 0.000 0.227 147 N C -1.259 174.217 175.510 -0.056 0.000 0.903 147 N CA 1.032 54.064 53.050 -0.031 0.000 0.995 147 N CB -1.118 37.355 38.487 -0.023 0.000 1.065 147 N HN 0.819 nan 8.380 nan 0.000 0.585 148 D N 0.999 121.354 120.400 -0.075 0.000 2.339 148 D HA 0.097 4.700 4.640 -0.062 0.000 0.256 148 D C -1.326 174.857 176.300 -0.196 0.000 1.214 148 D CA -1.673 52.234 54.000 -0.154 0.000 0.877 148 D CB 1.025 41.688 40.800 -0.228 0.000 1.111 148 D HN 0.013 nan 8.370 nan 0.000 0.478 149 P HA -0.191 nan 4.420 nan 0.000 0.217 149 P C 1.185 178.344 177.300 -0.236 0.000 1.151 149 P CA 1.206 64.206 63.100 -0.167 0.000 0.849 149 P CB 0.275 31.896 31.700 -0.132 0.000 0.787 150 K N -0.863 119.287 120.400 -0.418 0.000 2.281 150 K HA -0.112 4.171 4.320 -0.062 0.000 0.203 150 K C 2.070 178.451 176.600 -0.365 0.000 1.046 150 K CA 0.849 56.816 56.287 -0.533 0.000 0.938 150 K CB -0.837 31.019 32.500 -1.073 0.000 0.737 150 K HN 0.298 nan 8.250 nan 0.000 0.458 151 L N 0.998 122.052 121.223 -0.280 0.000 2.017 151 L HA -0.224 4.079 4.340 -0.062 0.000 0.208 151 L C 2.283 179.146 176.870 -0.012 0.000 1.073 151 L CA 1.573 56.404 54.840 -0.014 0.000 0.745 151 L CB -0.213 41.846 42.059 -0.001 0.000 0.894 151 L HN 0.151 nan 8.230 nan 0.000 0.432 152 K N -1.645 118.723 120.400 -0.053 0.000 2.211 152 K HA -0.111 4.172 4.320 -0.062 0.000 0.203 152 K C 1.757 178.340 176.600 -0.028 0.000 1.050 152 K CA 1.459 57.726 56.287 -0.033 0.000 0.945 152 K CB 0.007 32.482 32.500 -0.042 0.000 0.732 152 K HN 0.189 nan 8.250 nan 0.000 0.451 153 T N -0.640 113.886 114.554 -0.045 0.000 2.955 153 T HA 0.116 4.429 4.350 -0.062 0.000 0.251 153 T C 1.255 175.945 174.700 -0.017 0.000 1.002 153 T CA 0.200 62.279 62.100 -0.034 0.000 0.970 153 T CB 0.533 69.368 68.868 -0.054 0.000 1.091 153 T HN 0.107 nan 8.240 nan 0.000 0.495 154 Q N -0.806 118.993 119.800 -0.002 0.000 2.471 154 Q HA 0.444 4.747 4.340 -0.062 0.000 0.259 154 Q C 0.973 177.011 176.000 0.064 0.000 0.850 154 Q CA 0.360 56.181 55.803 0.029 0.000 0.981 154 Q CB 1.859 30.622 28.738 0.041 0.000 1.180 154 Q HN 0.467 nan 8.270 nan 0.000 0.571 155 G N 0.175 109.052 108.800 0.128 0.000 2.366 155 G HA2 -0.044 3.879 3.960 -0.062 0.000 0.190 155 G HA3 -0.044 3.879 3.960 -0.062 0.000 0.190 155 G C -0.683 174.305 174.900 0.146 0.000 1.299 155 G CA -0.437 44.714 45.100 0.086 0.000 1.056 155 G HN -0.133 nan 8.290 nan 0.000 0.468 156 K N -0.458 119.929 120.400 -0.023 0.000 2.367 156 K HA 0.365 4.648 4.320 -0.062 0.000 0.195 156 K C 0.519 176.832 176.600 -0.478 0.000 1.060 156 K CA 1.126 57.355 56.287 -0.096 0.000 1.022 156 K CB 0.595 33.044 32.500 -0.084 0.000 0.894 156 K HN 1.145 nan 8.250 nan 0.000 0.540 157 c N -1.918 116.233 118.600 -0.749 0.000 3.295 157 c HA 0.602 5.134 4.570 -0.062 0.000 0.341 157 c C -1.071 172.502 174.090 -0.861 0.000 1.418 157 c CA -1.315 54.390 56.329 -1.041 0.000 1.240 157 c CB 0.872 43.062 42.510 -0.533 0.000 1.562 157 c HN 0.047 nan 8.230 nan 0.000 0.457 158 M N 3.080 122.279 119.600 -0.669 0.000 2.268 158 M HA 0.481 4.924 4.480 -0.062 0.000 0.344 158 M C -2.359 173.830 176.300 -0.185 0.000 1.106 158 M CA -1.539 53.559 55.300 -0.336 0.000 1.010 158 M CB 2.135 34.641 32.600 -0.156 0.000 1.649 158 M HN 0.581 nan 8.290 nan 0.000 0.443 159 P HA 0.114 nan 4.420 nan 0.000 0.268 159 P C -1.333 175.941 177.300 -0.045 0.000 1.205 159 P CA 0.295 63.315 63.100 -0.135 0.000 0.771 159 P CB 0.422 32.088 31.700 -0.057 0.000 0.858 160 F N 3.120 122.806 119.950 -0.440 0.000 2.650 160 F HA 0.562 5.051 4.527 -0.062 0.000 0.310 160 F C -1.979 173.553 175.800 -0.446 0.000 1.112 160 F CA -0.895 56.948 58.000 -0.261 0.000 0.986 160 F CB 1.312 40.221 39.000 -0.152 0.000 1.285 160 F HN 0.104 nan 8.300 nan 0.000 0.440 161 F N 4.610 124.364 119.950 -0.326 0.000 2.540 161 F HA 0.586 5.076 4.527 -0.062 0.000 0.317 161 F C 0.147 175.849 175.800 -0.164 0.000 1.104 161 F CA -0.908 57.043 58.000 -0.081 0.000 0.913 161 F CB 1.904 40.856 39.000 -0.080 0.000 1.170 161 F HN 0.281 nan 8.300 nan 0.000 0.450 162 R N 1.645 122.332 120.500 0.311 0.000 2.679 162 R HA 0.454 4.757 4.340 -0.062 0.000 0.268 162 R C 0.100 176.481 176.300 0.136 0.000 1.044 162 R CA -0.330 55.926 56.100 0.259 0.000 1.105 162 R CB 0.470 30.893 30.300 0.206 0.000 0.989 162 R HN 0.733 nan 8.270 nan 0.000 0.447 163 A N 1.774 124.662 122.820 0.114 0.000 2.406 163 A HA 0.356 4.639 4.320 -0.062 0.000 0.243 163 A C 0.617 178.241 177.584 0.067 0.000 1.082 163 A CA 0.062 52.130 52.037 0.052 0.000 0.786 163 A CB 0.231 19.277 19.000 0.077 0.000 1.029 163 A HN 0.777 nan 8.150 nan 0.000 0.495 164 G N -0.617 108.182 108.800 -0.002 0.000 2.544 164 G HA2 0.483 4.406 3.960 -0.062 0.000 0.242 164 G HA3 0.483 4.406 3.960 -0.062 0.000 0.242 164 G C -0.370 174.577 174.900 0.078 0.000 1.247 164 G CA 0.033 45.131 45.100 -0.004 0.000 0.840 164 G HN 1.106 nan 8.290 nan 0.000 0.578 165 F N 0.227 120.111 119.950 -0.110 0.000 2.603 165 F HA 0.699 5.189 4.527 -0.062 0.000 0.317 165 F C 0.046 175.787 175.800 -0.099 0.000 1.066 165 F CA -1.900 56.043 58.000 -0.094 0.000 0.941 165 F CB 0.679 39.631 39.000 -0.080 0.000 1.291 165 F HN 0.561 nan 8.300 nan 0.000 0.472 166 V N -1.020 118.893 119.914 -0.002 0.000 3.237 166 V HA 0.405 4.488 4.120 -0.062 0.000 0.305 166 V C 0.821 176.790 176.094 -0.208 0.000 1.096 166 V CA -0.662 61.574 62.300 -0.107 0.000 1.130 166 V CB 0.084 31.898 31.823 -0.014 0.000 1.048 166 V HN 1.459 nan 8.190 nan 0.000 0.484 167 c N -0.414 118.047 118.600 -0.231 0.000 0.173 167 c HA -0.192 4.341 4.570 -0.062 0.000 0.017 167 c C -0.804 173.024 174.090 -0.437 0.000 0.172 167 c CA 0.715 56.842 56.329 -0.336 0.000 0.499 167 c CB -2.995 39.208 42.510 -0.512 0.000 3.212 167 c HN 1.010 nan 8.230 nan 0.000 1.118 168 P HA 0.107 nan 4.420 nan 0.000 0.316 168 P C 0.941 177.839 177.300 -0.670 0.000 1.413 168 P CA 2.909 65.690 63.100 -0.531 0.000 0.828 168 P CB 0.031 31.483 31.700 -0.413 0.000 1.787 169 T N -7.764 106.440 114.554 -0.584 0.000 3.680 169 T HA 0.225 4.538 4.350 -0.062 0.000 0.299 169 T C -2.350 172.275 174.700 -0.124 0.000 0.922 169 T CA -0.076 61.747 62.100 -0.463 0.000 1.100 169 T CB -1.253 67.451 68.868 -0.273 0.000 1.149 169 T HN 0.015 nan 8.240 nan 0.000 0.507 170 P HA 0.302 nan 4.420 nan 0.000 0.269 170 P C -2.645 174.824 177.300 0.281 0.000 1.217 170 P CA -0.714 62.449 63.100 0.103 0.000 0.783 170 P CB -0.299 31.430 31.700 0.049 0.000 0.898 171 P HA -0.064 nan 4.420 nan 0.000 0.254 171 P C -0.509 176.925 177.300 0.223 0.000 1.186 171 P CA 0.606 63.803 63.100 0.161 0.000 0.868 171 P CB -0.558 31.170 31.700 0.047 0.000 0.856 172 Y N 2.938 123.289 120.300 0.086 0.000 2.336 172 Y HA 0.069 4.582 4.550 -0.062 0.000 0.331 172 Y C 1.653 177.544 175.900 -0.015 0.000 1.211 172 Y CA -0.091 58.062 58.100 0.089 0.000 1.346 172 Y CB 0.828 39.436 38.460 0.247 0.000 1.271 172 Y HN 0.384 nan 8.280 nan 0.000 0.538 173 Q N 1.307 120.675 119.800 -0.721 0.000 1.911 173 Q HA 0.098 4.401 4.340 -0.062 0.000 0.202 173 Q C -0.360 175.237 176.000 -0.672 0.000 0.976 173 Q CA 1.207 56.660 55.803 -0.584 0.000 0.845 173 Q CB 0.113 28.654 28.738 -0.329 0.000 0.903 173 Q HN 0.592 nan 8.270 nan 0.000 0.437 174 S N -1.400 113.840 115.700 -0.766 0.000 2.543 174 S HA 0.534 4.967 4.470 -0.062 0.000 0.271 174 S C -0.815 173.679 174.600 -0.177 0.000 1.148 174 S CA -0.665 57.313 58.200 -0.370 0.000 0.914 174 S CB 0.973 64.043 63.200 -0.216 0.000 1.096 174 S HN 0.408 nan 8.310 nan 0.000 0.471 175 L N 2.487 123.656 121.223 -0.090 0.000 1.282 175 L HA 0.617 4.920 4.340 -0.062 0.000 0.066 175 L C -1.186 175.697 176.870 0.021 0.000 1.525 175 L CA 0.531 55.376 54.840 0.009 0.000 1.112 175 L CB -0.045 42.064 42.059 0.083 0.000 2.241 175 L HN 0.976 nan 8.230 nan 0.000 0.439 176 A N 0.876 123.712 122.820 0.027 0.000 2.259 176 A HA 0.343 4.626 4.320 -0.062 0.000 0.276 176 A C -0.954 176.673 177.584 0.072 0.000 0.938 176 A CA -0.283 51.785 52.037 0.052 0.000 0.750 176 A CB 0.178 19.253 19.000 0.125 0.000 0.919 176 A HN 0.342 nan 8.150 nan 0.000 0.346 177 R N 1.860 122.344 120.500 -0.026 0.000 2.449 177 R HA 0.443 4.746 4.340 -0.062 0.000 0.296 177 R C -0.593 175.792 176.300 0.141 0.000 1.047 177 R CA 0.582 56.656 56.100 -0.044 0.000 1.018 177 R CB 0.458 30.510 30.300 -0.413 0.000 0.962 177 R HN 0.566 nan 8.270 nan 0.000 0.428 178 E N 4.012 124.304 120.200 0.153 0.000 2.210 178 E HA 0.160 4.473 4.350 -0.062 0.000 0.266 178 E C -0.861 175.813 176.600 0.124 0.000 0.883 178 E CA -1.053 55.434 56.400 0.145 0.000 0.761 178 E CB 1.886 31.665 29.700 0.132 0.000 1.156 178 E HN 0.553 nan 8.360 nan 0.000 0.412 179 Q N 1.145 120.980 119.800 0.059 0.000 2.299 179 Q HA 0.375 4.678 4.340 -0.062 0.000 0.246 179 Q C 0.103 176.112 176.000 0.015 0.000 0.935 179 Q CA -0.080 55.721 55.803 -0.004 0.000 0.887 179 Q CB 0.962 29.589 28.738 -0.185 0.000 1.223 179 Q HN 0.451 nan 8.270 nan 0.000 0.439 180 I N 1.793 122.350 120.570 -0.021 0.000 2.581 180 I HA 0.103 4.236 4.170 -0.062 0.000 0.288 180 I C 0.233 176.324 176.117 -0.043 0.000 1.047 180 I CA -0.459 60.815 61.300 -0.044 0.000 1.374 180 I CB 0.709 38.651 38.000 -0.097 0.000 1.423 180 I HN 0.512 nan 8.210 nan 0.000 0.549 181 N N 4.219 122.906 118.700 -0.022 0.000 2.424 181 N HA 0.373 5.075 4.740 -0.062 0.000 0.271 181 N C 0.009 175.522 175.510 0.004 0.000 0.985 181 N CA -0.417 52.629 53.050 -0.006 0.000 0.921 181 N CB 1.803 40.297 38.487 0.012 0.000 1.149 181 N HN 0.673 nan 8.380 nan 0.000 0.492 182 A N 2.604 125.432 122.820 0.014 0.000 2.337 182 A HA 0.291 4.574 4.320 -0.062 0.000 0.227 182 A C 0.451 178.133 177.584 0.162 0.000 1.259 182 A CA 0.234 52.312 52.037 0.069 0.000 0.870 182 A CB -0.430 18.594 19.000 0.041 0.000 0.927 182 A HN 0.560 nan 8.150 nan 0.000 0.497 183 V N -3.604 116.400 119.914 0.150 0.000 3.156 183 V HA 0.799 4.882 4.120 -0.062 0.000 0.310 183 V C -0.216 175.949 176.094 0.118 0.000 1.234 183 V CA -0.198 62.194 62.300 0.154 0.000 1.065 183 V CB 1.218 33.148 31.823 0.178 0.000 1.088 183 V HN 0.357 nan 8.190 nan 0.000 0.451 184 T N -0.846 113.789 114.554 0.136 0.000 2.817 184 T HA 0.364 4.677 4.350 -0.062 0.000 0.293 184 T C 0.927 175.664 174.700 0.062 0.000 0.964 184 T CA 0.359 62.542 62.100 0.139 0.000 1.085 184 T CB 1.009 70.032 68.868 0.259 0.000 0.921 184 T HN 0.877 nan 8.240 nan 0.000 0.502 185 S N 1.603 117.229 115.700 -0.123 0.000 2.442 185 S HA 0.067 4.500 4.470 -0.062 0.000 0.236 185 S C 0.259 174.731 174.600 -0.213 0.000 1.007 185 S CA 0.501 58.557 58.200 -0.240 0.000 0.965 185 S CB -0.557 62.395 63.200 -0.414 0.000 0.773 185 S HN 0.704 nan 8.310 nan 0.000 0.504 186 F N 1.284 121.327 119.950 0.154 0.000 2.412 186 F HA 0.335 4.824 4.527 -0.063 0.000 0.348 186 F C 0.250 176.191 175.800 0.235 0.000 1.102 186 F CA -1.339 56.785 58.000 0.207 0.000 1.196 186 F CB 0.273 39.400 39.000 0.212 0.000 1.144 186 F HN -0.064 nan 8.300 nan 0.000 0.541 187 L N 5.198 126.701 121.223 0.467 0.000 2.505 187 L HA 0.113 4.416 4.340 -0.062 0.000 0.279 187 L C 0.400 177.500 176.870 0.383 0.000 1.211 187 L CA 0.229 55.329 54.840 0.432 0.000 1.059 187 L CB -1.108 41.292 42.059 0.568 0.000 1.340 187 L HN 0.659 nan 8.230 nan 0.000 0.447 188 D N 2.644 123.234 120.400 0.316 0.000 2.556 188 D HA 0.207 4.810 4.640 -0.062 0.000 0.237 188 D C 0.735 177.175 176.300 0.234 0.000 1.296 188 D CA 0.294 54.449 54.000 0.257 0.000 0.807 188 D CB 0.131 41.076 40.800 0.241 0.000 1.084 188 D HN 0.486 nan 8.370 nan 0.000 0.510 189 A N 0.730 123.688 122.820 0.231 0.000 2.925 189 A HA -0.234 4.049 4.320 -0.062 0.000 0.265 189 A C 1.616 179.339 177.584 0.232 0.000 1.419 189 A CA 1.091 53.262 52.037 0.223 0.000 0.807 189 A CB -2.690 16.516 19.000 0.345 0.000 1.043 189 A HN 0.700 nan 8.150 nan 0.000 0.600 190 S N -0.564 115.249 115.700 0.188 0.000 2.507 190 S HA 0.020 4.453 4.470 -0.062 0.000 0.235 190 S C 1.635 176.289 174.600 0.091 0.000 0.988 190 S CA 1.120 59.420 58.200 0.167 0.000 0.944 190 S CB -0.780 62.516 63.200 0.160 0.000 0.762 190 S HN 1.666 nan 8.310 nan 0.000 0.526 191 L N -1.530 119.720 121.223 0.046 0.000 2.341 191 L HA 0.279 4.582 4.340 -0.062 0.000 0.214 191 L C 1.917 178.782 176.870 -0.008 0.000 1.115 191 L CA 0.380 55.235 54.840 0.026 0.000 0.820 191 L CB -0.439 41.621 42.059 0.001 0.000 0.944 191 L HN 0.134 nan 8.230 nan 0.000 0.452 192 V N -0.456 119.365 119.914 -0.154 0.000 2.426 192 V HA -0.104 3.979 4.120 -0.062 0.000 0.242 192 V C 2.038 177.849 176.094 -0.471 0.000 1.036 192 V CA 1.337 63.402 62.300 -0.393 0.000 1.044 192 V CB -0.452 30.904 31.823 -0.778 0.000 0.688 192 V HN 0.366 nan 8.190 nan 0.000 0.462 193 Y N 0.756 121.034 120.300 -0.036 0.000 2.517 193 Y HA 0.512 5.020 4.550 -0.071 0.000 0.281 193 Y C 1.354 177.247 175.900 -0.012 0.000 1.125 193 Y CA 0.489 58.574 58.100 -0.027 0.000 1.283 193 Y CB -0.124 38.318 38.460 -0.030 0.000 1.042 193 Y HN 0.334 nan 8.280 nan 0.000 0.547 194 G N -0.474 108.373 108.800 0.078 0.000 2.629 194 G HA2 -0.134 3.789 3.960 -0.062 0.000 0.686 194 G HA3 -0.134 3.789 3.960 -0.062 0.000 0.686 194 G C 0.206 175.157 174.900 0.086 0.000 1.232 194 G CA -0.242 44.876 45.100 0.029 0.000 0.803 194 G HN 0.007 nan 8.290 nan 0.000 0.638 195 S N 0.259 116.007 115.700 0.080 0.000 2.559 195 S HA 0.285 4.718 4.470 -0.062 0.000 0.226 195 S C 0.535 175.194 174.600 0.098 0.000 1.000 195 S CA 0.568 58.833 58.200 0.107 0.000 0.948 195 S CB 0.337 63.613 63.200 0.127 0.000 0.870 195 S HN 0.593 nan 8.310 nan 0.000 0.497 196 E N 1.446 121.697 120.200 0.085 0.000 2.256 196 E HA 0.405 4.718 4.350 -0.062 0.000 0.267 196 E C -2.743 173.890 176.600 0.055 0.000 0.892 196 E CA -2.409 54.036 56.400 0.076 0.000 0.775 196 E CB 1.269 31.023 29.700 0.091 0.000 1.207 196 E HN -0.041 nan 8.360 nan 0.000 0.420 200 A N -0.074 122.754 122.820 0.014 0.000 1.927 200 A HA -0.264 4.019 4.320 -0.062 0.000 0.220 200 A C 2.346 179.919 177.584 -0.018 0.000 1.185 200 A CA 2.987 55.044 52.037 0.033 0.000 0.639 200 A CB -1.042 18.000 19.000 0.069 0.000 0.820 200 A HN 0.652 nan 8.150 nan 0.000 0.451 201 S N -0.359 115.315 115.700 -0.044 0.000 2.371 201 S HA -0.193 4.240 4.470 -0.062 0.000 0.224 201 S C 2.173 176.734 174.600 -0.065 0.000 1.029 201 S CA 1.306 59.456 58.200 -0.084 0.000 0.978 201 S CB -0.417 62.740 63.200 -0.070 0.000 0.833 201 S HN 0.679 nan 8.310 nan 0.000 0.466 202 R N -0.278 120.200 120.500 -0.037 0.000 2.241 202 R HA 0.023 4.326 4.340 -0.062 0.000 0.224 202 R C 1.543 177.822 176.300 -0.035 0.000 1.101 202 R CA 1.056 57.140 56.100 -0.027 0.000 0.995 202 R CB -0.272 30.023 30.300 -0.008 0.000 0.870 202 R HN 0.392 nan 8.270 nan 0.000 0.463 203 L N 0.792 121.989 121.223 -0.043 0.000 2.446 203 L HA 0.169 4.472 4.340 -0.062 0.000 0.219 203 L C 0.541 177.383 176.870 -0.047 0.000 1.116 203 L CA 0.957 55.768 54.840 -0.048 0.000 0.844 203 L CB -0.261 41.769 42.059 -0.049 0.000 0.970 203 L HN 0.095 nan 8.230 nan 0.000 0.457 204 R N -0.053 120.409 120.500 -0.063 0.000 2.560 204 R HA 0.168 4.471 4.340 -0.062 0.000 0.270 204 R C 0.108 176.379 176.300 -0.048 0.000 1.074 204 R CA -0.556 55.500 56.100 -0.073 0.000 1.140 204 R CB 0.270 30.452 30.300 -0.196 0.000 1.073 204 R HN -0.098 nan 8.270 nan 0.000 0.527 205 N N 2.393 121.082 118.700 -0.019 0.000 2.558 205 N HA 0.098 4.801 4.740 -0.062 0.000 0.233 205 N C -0.435 175.068 175.510 -0.011 0.000 1.038 205 N CA -0.110 52.940 53.050 -0.001 0.000 0.934 205 N CB 0.490 38.994 38.487 0.029 0.000 1.175 205 N HN 0.525 nan 8.380 nan 0.000 0.512 206 L N 1.772 122.979 121.223 -0.026 0.000 2.848 206 L HA 0.224 4.527 4.340 -0.062 0.000 0.240 206 L C 1.200 178.063 176.870 -0.012 0.000 1.232 206 L CA -0.111 54.710 54.840 -0.031 0.000 1.031 206 L CB 0.034 42.061 42.059 -0.053 0.000 1.338 206 L HN 0.342 nan 8.230 nan 0.000 0.509 207 S N -0.738 114.963 115.700 0.002 0.000 2.444 207 S HA 0.033 4.466 4.470 -0.062 0.000 0.223 207 S C 1.024 175.632 174.600 0.014 0.000 1.054 207 S CA 0.151 58.357 58.200 0.010 0.000 0.947 207 S CB 0.244 63.455 63.200 0.018 0.000 0.850 207 S HN 0.522 nan 8.310 nan 0.000 0.527 208 S N 2.736 118.449 115.700 0.020 0.000 2.554 208 S HA 0.479 4.912 4.470 -0.062 0.000 0.278 208 S C -2.936 171.678 174.600 0.023 0.000 1.242 208 S CA -1.331 56.884 58.200 0.025 0.000 1.051 208 S CB 0.921 64.140 63.200 0.033 0.000 0.986 208 S HN 0.085 nan 8.310 nan 0.000 0.502 209 P HA 0.404 nan 4.420 nan 0.000 0.205 209 P C -0.365 176.959 177.300 0.040 0.000 1.858 209 P CA -0.400 62.715 63.100 0.025 0.000 0.998 209 P CB -0.339 31.375 31.700 0.023 0.000 1.875 210 L N -1.069 120.184 121.223 0.049 0.000 2.906 210 L HA 0.445 4.748 4.340 -0.062 0.000 0.255 210 L C 1.366 178.285 176.870 0.082 0.000 1.166 210 L CA 0.048 54.923 54.840 0.059 0.000 0.977 210 L CB -0.269 41.820 42.059 0.049 0.000 1.313 210 L HN 0.238 nan 8.230 nan 0.000 0.549 211 G N 1.357 110.217 108.800 0.100 0.000 2.221 211 G HA2 -0.264 3.659 3.960 -0.062 0.000 0.265 211 G HA3 -0.264 3.659 3.960 -0.062 0.000 0.265 211 G C 0.080 175.166 174.900 0.310 0.000 1.041 211 G CA 0.113 45.323 45.100 0.184 0.000 0.807 211 G HN 0.245 nan 8.290 nan 0.000 0.502 212 L N -0.260 121.091 121.223 0.213 0.000 2.421 212 L HA 0.594 4.897 4.340 -0.062 0.000 0.263 212 L C 1.185 178.179 176.870 0.207 0.000 1.122 212 L CA -1.055 53.934 54.840 0.248 0.000 0.804 212 L CB 0.730 42.870 42.059 0.136 0.000 1.150 212 L HN 0.066 nan 8.230 nan 0.000 0.457 213 M N 1.195 120.901 119.600 0.177 0.000 2.288 213 M HA 0.346 4.789 4.480 -0.062 0.000 0.334 213 M C 0.161 176.469 176.300 0.013 0.000 1.150 213 M CA -0.482 54.830 55.300 0.021 0.000 1.118 213 M CB 1.277 33.821 32.600 -0.094 0.000 1.501 213 M HN 0.653 nan 8.290 nan 0.000 0.462 214 A N 2.326 125.133 122.820 -0.022 0.000 2.425 214 A HA 0.532 4.815 4.320 -0.062 0.000 0.249 214 A C -0.043 177.503 177.584 -0.063 0.000 1.084 214 A CA -0.509 51.512 52.037 -0.027 0.000 0.781 214 A CB 0.095 19.075 19.000 -0.033 0.000 1.019 214 A HN 0.780 nan 8.150 nan 0.000 0.490 215 V N 0.890 120.761 119.914 -0.072 0.000 3.046 215 V HA 0.521 4.604 4.120 -0.062 0.000 0.316 215 V C 0.279 176.242 176.094 -0.217 0.000 1.104 215 V CA -1.417 60.781 62.300 -0.170 0.000 1.006 215 V CB 1.623 33.322 31.823 -0.208 0.000 1.058 215 V HN 0.899 nan 8.190 nan 0.000 0.440 216 N N 1.633 120.121 118.700 -0.354 0.000 2.407 216 N HA 0.058 4.761 4.740 -0.062 0.000 0.250 216 N C 0.278 175.573 175.510 -0.357 0.000 1.236 216 N CA 0.262 53.078 53.050 -0.389 0.000 0.879 216 N CB 1.255 39.435 38.487 -0.510 0.000 1.088 216 N HN 0.798 nan 8.380 nan 0.000 0.450 217 Q N 1.916 121.644 119.800 -0.121 0.000 2.316 217 Q HA 0.074 4.377 4.340 -0.062 0.000 0.235 217 Q C 0.527 176.626 176.000 0.166 0.000 0.863 217 Q CA 0.370 56.226 55.803 0.088 0.000 0.939 217 Q CB 0.358 29.167 28.738 0.120 0.000 1.108 217 Q HN 0.592 nan 8.270 nan 0.000 0.522 218 E N 0.635 120.904 120.200 0.115 0.000 2.442 218 E HA 0.245 4.558 4.350 -0.062 0.000 0.195 218 E C -0.382 176.359 176.600 0.236 0.000 1.030 218 E CA 0.177 56.711 56.400 0.223 0.000 0.869 218 E CB 0.747 30.654 29.700 0.346 0.000 0.857 218 E HN 0.235 nan 8.360 nan 0.000 0.505 219 A N -0.724 122.151 122.820 0.092 0.000 2.594 219 A HA 0.615 4.898 4.320 -0.062 0.000 0.296 219 A C -1.885 175.619 177.584 -0.133 0.000 1.061 219 A CA -0.827 51.317 52.037 0.179 0.000 0.689 219 A CB 0.610 19.793 19.000 0.305 0.000 1.280 219 A HN 0.124 nan 8.150 nan 0.000 0.406 220 W N 0.043 121.417 121.300 0.123 0.000 2.962 220 W HA 0.611 5.232 4.660 -0.065 0.000 0.341 220 W C -0.829 175.456 176.519 -0.390 0.000 1.155 220 W CA 0.057 57.295 57.345 -0.179 0.000 1.165 220 W CB 1.904 31.317 29.460 -0.079 0.000 1.435 220 W HN 0.673 nan 8.180 nan 0.000 0.546 221 D N 0.226 120.373 120.400 -0.422 0.000 2.432 221 D HA 0.220 4.823 4.640 -0.062 0.000 0.265 221 D C -0.518 175.633 176.300 -0.249 0.000 1.160 221 D CA -0.377 53.316 54.000 -0.511 0.000 0.911 221 D CB -0.449 39.837 40.800 -0.856 0.000 1.052 221 D HN 0.570 nan 8.370 nan 0.000 0.508 222 H N 2.137 121.258 119.070 0.084 0.000 2.496 222 H HA -0.173 4.345 4.556 -0.062 0.000 0.323 222 H C 1.334 176.742 175.328 0.135 0.000 1.054 222 H CA 0.332 56.451 56.048 0.118 0.000 1.095 222 H CB -1.268 28.589 29.762 0.159 0.000 1.595 222 H HN 0.714 nan 8.280 nan 0.000 0.388 223 G N -0.053 108.862 108.800 0.192 0.000 2.203 223 G HA2 -0.332 3.591 3.960 -0.062 0.000 0.263 223 G HA3 -0.332 3.591 3.960 -0.062 0.000 0.263 223 G C 0.175 175.201 174.900 0.210 0.000 1.012 223 G CA 0.656 45.809 45.100 0.089 0.000 0.749 223 G HN 0.533 nan 8.290 nan 0.000 0.512 224 L N -0.239 121.104 121.223 0.199 0.000 2.334 224 L HA 0.789 5.092 4.340 -0.062 0.000 0.272 224 L C 1.034 177.894 176.870 -0.017 0.000 1.020 224 L CA -0.777 54.105 54.840 0.070 0.000 0.812 224 L CB 1.707 43.681 42.059 -0.142 0.000 1.264 224 L HN 0.242 nan 8.230 nan 0.000 0.439 225 A N 1.730 124.490 122.820 -0.099 0.000 2.483 225 A HA 0.320 4.603 4.320 -0.062 0.000 0.238 225 A C -1.007 176.299 177.584 -0.463 0.000 1.070 225 A CA 0.400 52.210 52.037 -0.378 0.000 0.770 225 A CB 0.017 18.889 19.000 -0.214 0.000 1.008 225 A HN 0.617 nan 8.150 nan 0.000 0.497 226 Y N -0.027 119.951 120.300 -0.536 0.000 2.598 226 Y HA 0.462 4.975 4.550 -0.062 0.000 0.340 226 Y C 0.334 175.916 175.900 -0.531 0.000 1.038 226 Y CA -1.169 56.622 58.100 -0.515 0.000 1.100 226 Y CB 1.595 39.770 38.460 -0.474 0.000 1.281 226 Y HN 0.521 nan 8.280 nan 0.000 0.488 227 L N 4.296 125.236 121.223 -0.472 0.000 2.461 227 L HA 0.163 4.465 4.340 -0.062 0.000 0.272 227 L C -2.125 174.608 176.870 -0.228 0.000 1.197 227 L CA -1.863 52.752 54.840 -0.375 0.000 0.836 227 L CB 0.101 41.868 42.059 -0.486 0.000 1.105 227 L HN 0.266 nan 8.230 nan 0.000 0.477 228 P HA -0.054 nan 4.420 nan 0.000 0.267 228 P C -0.645 176.634 177.300 -0.036 0.000 1.200 228 P CA 0.101 63.117 63.100 -0.140 0.000 0.772 228 P CB 0.282 31.945 31.700 -0.062 0.000 0.855 229 F N 1.229 121.222 119.950 0.073 0.000 2.450 229 F HA 0.134 4.626 4.527 -0.059 0.000 0.339 229 F C 1.569 177.379 175.800 0.017 0.000 1.146 229 F CA 0.128 58.143 58.000 0.024 0.000 1.267 229 F CB -0.276 38.707 39.000 -0.028 0.000 1.178 229 F HN 0.274 nan 8.300 nan 0.000 0.585 230 N N 2.206 121.043 118.700 0.227 0.000 2.488 230 N HA -0.017 4.686 4.740 -0.062 0.000 0.274 230 N C 1.006 176.578 175.510 0.104 0.000 1.111 230 N CA 0.020 53.151 53.050 0.136 0.000 0.974 230 N CB 0.346 38.904 38.487 0.118 0.000 1.089 230 N HN 0.555 nan 8.380 nan 0.000 0.465 231 N N 3.252 122.002 118.700 0.085 0.000 2.037 231 N HA -0.247 4.456 4.740 -0.062 0.000 0.196 231 N C -0.280 175.249 175.510 0.031 0.000 1.034 231 N CA 1.298 54.381 53.050 0.056 0.000 0.861 231 N CB -0.095 38.423 38.487 0.052 0.000 1.039 231 N HN 0.596 nan 8.380 nan 0.000 0.427 232 K N 1.700 122.122 120.400 0.036 0.000 2.351 232 K HA 0.028 4.311 4.320 -0.062 0.000 0.287 232 K C -0.586 176.011 176.600 -0.005 0.000 1.068 232 K CA 0.251 56.547 56.287 0.014 0.000 0.998 232 K CB 0.270 32.782 32.500 0.020 0.000 0.968 232 K HN 0.096 nan 8.250 nan 0.000 0.464 233 K N 4.618 125.009 120.400 -0.015 0.000 2.130 233 K HA 0.312 4.595 4.320 -0.062 0.000 0.268 233 K C -2.089 174.492 176.600 -0.031 0.000 0.983 233 K CA -1.862 54.411 56.287 -0.023 0.000 0.893 233 K CB 0.946 33.432 32.500 -0.023 0.000 1.066 233 K HN 0.501 nan 8.250 nan 0.000 0.450 234 P HA 0.039 nan 4.420 nan 0.000 0.271 234 P C -0.967 176.314 177.300 -0.031 0.000 1.216 234 P CA -0.367 62.715 63.100 -0.029 0.000 0.776 234 P CB 1.245 32.917 31.700 -0.047 0.000 0.881 235 S N 2.276 117.972 115.700 -0.007 0.000 2.552 235 S HA 0.472 4.905 4.470 -0.062 0.000 0.314 235 S C -1.879 172.741 174.600 0.033 0.000 1.099 235 S CA -1.717 56.481 58.200 -0.003 0.000 1.070 235 S CB 1.155 64.347 63.200 -0.013 0.000 0.998 235 S HN 0.158 nan 8.310 nan 0.000 0.474 236 P HA 0.081 nan 4.420 nan 0.000 0.221 236 P C 1.012 178.378 177.300 0.110 0.000 1.150 236 P CA 0.642 63.759 63.100 0.028 0.000 0.800 236 P CB -0.009 31.551 31.700 -0.232 0.000 0.787 237 c N -0.569 118.094 118.600 0.105 0.000 2.448 237 c HA -0.004 4.529 4.570 -0.062 0.000 0.280 237 c C 2.467 176.604 174.090 0.079 0.000 1.398 237 c CA 0.608 57.007 56.329 0.117 0.000 1.774 237 c CB -1.461 41.090 42.510 0.068 0.000 1.888 237 c HN 0.340 nan 8.230 nan 0.000 0.519 238 E N -0.264 119.969 120.200 0.054 0.000 2.158 238 E HA -0.111 4.202 4.350 -0.062 0.000 0.191 238 E C 1.732 178.372 176.600 0.068 0.000 0.982 238 E CA 0.768 57.179 56.400 0.019 0.000 0.823 238 E CB -0.145 29.546 29.700 -0.015 0.000 0.766 238 E HN 0.741 nan 8.360 nan 0.000 0.468 239 F N 1.799 121.745 119.950 -0.008 0.000 2.146 239 F HA -0.140 4.349 4.527 -0.062 0.000 0.298 239 F C 2.104 177.922 175.800 0.029 0.000 1.096 239 F CA 1.258 59.273 58.000 0.025 0.000 1.275 239 F CB -0.088 38.964 39.000 0.086 0.000 1.008 239 F HN -0.022 nan 8.300 nan 0.000 0.480 240 I N -0.824 119.816 120.570 0.118 0.000 2.567 240 I HA -0.121 4.012 4.170 -0.062 0.000 0.257 240 I C 0.120 176.232 176.117 -0.009 0.000 1.184 240 I CA 1.251 62.581 61.300 0.050 0.000 1.451 240 I CB -0.649 37.396 38.000 0.075 0.000 1.089 240 I HN 0.212 nan 8.210 nan 0.000 0.441 241 N N 0.335 118.994 118.700 -0.068 0.000 2.629 241 N HA 0.116 4.819 4.740 -0.062 0.000 0.277 241 N C 0.298 175.675 175.510 -0.222 0.000 1.188 241 N CA 0.340 53.270 53.050 -0.201 0.000 0.835 241 N CB 1.286 39.514 38.487 -0.430 0.000 1.420 241 N HN 0.223 nan 8.380 nan 0.000 0.542 242 T N -1.008 113.417 114.554 -0.216 0.000 3.129 242 T HA 0.053 4.366 4.350 -0.062 0.000 0.251 242 T C 1.320 175.916 174.700 -0.174 0.000 1.117 242 T CA 0.717 62.714 62.100 -0.172 0.000 1.034 242 T CB 0.184 68.959 68.868 -0.155 0.000 0.968 242 T HN 0.284 nan 8.240 nan 0.000 0.526 243 T N 1.952 116.374 114.554 -0.221 0.000 2.814 243 T HA 0.263 4.576 4.350 -0.062 0.000 0.254 243 T C 2.481 177.035 174.700 -0.243 0.000 1.037 243 T CA 0.914 62.885 62.100 -0.215 0.000 1.143 243 T CB -0.583 68.144 68.868 -0.235 0.000 0.866 243 T HN 0.513 nan 8.240 nan 0.000 0.431 244 A N 0.956 123.561 122.820 -0.359 0.000 1.972 244 A HA 0.020 4.303 4.320 -0.062 0.000 0.219 244 A C 1.243 178.701 177.584 -0.211 0.000 1.169 244 A CA 1.067 52.898 52.037 -0.343 0.000 0.635 244 A CB -0.476 18.164 19.000 -0.600 0.000 0.810 244 A HN 0.539 nan 8.150 nan 0.000 0.446 245 R N -1.743 118.638 120.500 -0.198 0.000 3.322 245 R HA -0.140 4.163 4.340 -0.062 0.000 0.253 245 R C -1.081 175.104 176.300 -0.192 0.000 0.987 245 R CA 0.525 56.528 56.100 -0.161 0.000 0.666 245 R CB -1.964 28.250 30.300 -0.144 0.000 1.072 245 R HN 0.267 nan 8.270 nan 0.000 0.447 246 V N 1.722 121.537 119.914 -0.166 0.000 2.350 246 V HA 0.310 4.393 4.120 -0.062 0.000 0.276 246 V C -1.372 174.556 176.094 -0.277 0.000 1.028 246 V CA -1.610 60.535 62.300 -0.259 0.000 0.860 246 V CB 1.465 33.234 31.823 -0.090 0.000 0.990 246 V HN 0.093 nan 8.190 nan 0.000 0.453 247 P HA 0.186 nan 4.420 nan 0.000 0.274 247 P C -0.089 177.089 177.300 -0.203 0.000 1.246 247 P CA -0.448 62.481 63.100 -0.285 0.000 0.795 247 P CB 0.605 32.112 31.700 -0.322 0.000 1.006 248 c N 0.634 119.184 118.600 -0.083 0.000 2.705 248 c HA 0.218 4.751 4.570 -0.062 0.000 0.382 248 c C 0.928 174.987 174.090 -0.051 0.000 1.322 248 c CA -0.040 56.248 56.329 -0.069 0.000 2.290 248 c CB -1.340 41.227 42.510 0.095 0.000 2.650 248 c HN 0.381 nan 8.230 nan 0.000 0.695 249 F N 1.079 121.079 119.950 0.084 0.000 2.389 249 F HA 0.435 4.927 4.527 -0.057 0.000 0.337 249 F C 0.342 176.118 175.800 -0.040 0.000 1.112 249 F CA -0.625 57.375 58.000 -0.000 0.000 1.192 249 F CB 0.415 39.352 39.000 -0.105 0.000 1.185 249 F HN 0.263 nan 8.300 nan 0.000 0.552 250 L N 3.406 124.721 121.223 0.153 0.000 2.261 250 L HA 0.686 4.989 4.340 -0.062 0.000 0.289 250 L C -0.311 176.508 176.870 -0.085 0.000 1.059 250 L CA -0.019 54.832 54.840 0.020 0.000 0.816 250 L CB -0.386 41.689 42.059 0.026 0.000 1.191 250 L HN 0.668 nan 8.230 nan 0.000 0.431 251 A N 3.217 125.926 122.820 -0.186 0.000 2.483 251 A HA 0.674 4.957 4.320 -0.062 0.000 0.286 251 A C 0.973 178.384 177.584 -0.289 0.000 1.207 251 A CA -0.131 51.760 52.037 -0.243 0.000 0.764 251 A CB 0.627 19.412 19.000 -0.359 0.000 1.341 251 A HN 0.747 nan 8.150 nan 0.000 0.428 252 G N -0.739 107.937 108.800 -0.205 0.000 2.462 252 G HA2 -0.005 3.918 3.960 -0.062 0.000 0.220 252 G HA3 -0.005 3.918 3.960 -0.062 0.000 0.220 252 G C 0.335 175.093 174.900 -0.237 0.000 1.121 252 G CA 1.394 46.386 45.100 -0.180 0.000 0.758 252 G HN 0.753 nan 8.290 nan 0.000 0.559 253 D N -1.637 118.625 120.400 -0.230 0.000 2.498 253 D HA 0.265 4.868 4.640 -0.062 0.000 0.247 253 D C 0.400 176.498 176.300 -0.335 0.000 1.070 253 D CA -0.873 52.979 54.000 -0.247 0.000 0.842 253 D CB 1.432 42.197 40.800 -0.059 0.000 1.361 253 D HN 0.022 nan 8.370 nan 0.000 0.484 254 F N 2.004 121.849 119.950 -0.175 0.000 2.250 254 F HA -0.106 4.385 4.527 -0.059 0.000 0.301 254 F C 2.075 177.783 175.800 -0.154 0.000 1.077 254 F CA 0.778 58.693 58.000 -0.142 0.000 1.348 254 F CB 0.164 39.123 39.000 -0.069 0.000 1.040 254 F HN 0.239 nan 8.300 nan 0.000 0.509 255 R N 0.082 120.507 120.500 -0.124 0.000 2.310 255 R HA 0.198 4.501 4.340 -0.062 0.000 0.202 255 R C 2.064 178.342 176.300 -0.035 0.000 0.933 255 R CA 0.567 56.623 56.100 -0.073 0.000 1.054 255 R CB -0.765 29.415 30.300 -0.200 0.000 0.985 255 R HN 0.152 nan 8.270 nan 0.000 0.489 256 A N 1.083 123.818 122.820 -0.142 0.000 1.940 256 A HA -0.261 4.022 4.320 -0.062 0.000 0.221 256 A C 1.739 179.246 177.584 -0.128 0.000 1.190 256 A CA 2.276 54.119 52.037 -0.323 0.000 0.647 256 A CB -0.579 17.984 19.000 -0.727 0.000 0.821 256 A HN 0.412 nan 8.150 nan 0.000 0.457 257 S N -0.922 114.745 115.700 -0.056 0.000 2.622 257 S HA 0.190 4.623 4.470 -0.062 0.000 0.236 257 S C 1.126 175.508 174.600 -0.363 0.000 0.956 257 S CA 0.346 58.516 58.200 -0.050 0.000 0.971 257 S CB 0.470 63.724 63.200 0.088 0.000 0.782 257 S HN 0.592 nan 8.310 nan 0.000 0.468 258 E N 2.037 121.955 120.200 -0.471 0.000 2.204 258 E HA -0.180 4.133 4.350 -0.062 0.000 0.195 258 E C 0.136 176.445 176.600 -0.485 0.000 0.990 258 E CA 1.103 56.979 56.400 -0.873 0.000 0.821 258 E CB 0.148 29.634 29.700 -0.358 0.000 0.750 258 E HN 0.893 nan 8.360 nan 0.000 0.477 259 Q N -1.416 118.257 119.800 -0.212 0.000 2.378 259 Q HA 0.250 4.553 4.340 -0.062 0.000 0.262 259 Q C 0.433 176.395 176.000 -0.064 0.000 0.978 259 Q CA -0.273 55.489 55.803 -0.067 0.000 0.918 259 Q CB 0.300 29.076 28.738 0.064 0.000 1.415 259 Q HN -0.015 nan 8.270 nan 0.000 0.409 260 I N 1.106 121.629 120.570 -0.078 0.000 2.182 260 I HA -0.341 3.792 4.170 -0.062 0.000 0.248 260 I C 0.760 176.847 176.117 -0.050 0.000 1.073 260 I CA 1.613 62.870 61.300 -0.072 0.000 1.335 260 I CB 0.136 38.059 38.000 -0.128 0.000 1.031 260 I HN 0.848 nan 8.210 nan 0.000 0.420 261 L N -0.354 120.840 121.223 -0.048 0.000 2.217 261 L HA -0.132 4.171 4.340 -0.062 0.000 0.211 261 L C 2.006 178.863 176.870 -0.021 0.000 1.107 261 L CA 1.453 56.274 54.840 -0.032 0.000 0.783 261 L CB -0.914 41.131 42.059 -0.024 0.000 0.919 261 L HN 0.354 nan 8.230 nan 0.000 0.442 262 L N -0.591 120.617 121.223 -0.025 0.000 2.095 262 L HA 0.057 4.360 4.340 -0.062 0.000 0.204 262 L C 2.453 179.363 176.870 0.067 0.000 1.080 262 L CA 1.812 56.645 54.840 -0.011 0.000 0.759 262 L CB -0.843 41.193 42.059 -0.039 0.000 0.914 262 L HN 0.108 nan 8.230 nan 0.000 0.439 263 A N -1.072 121.771 122.820 0.039 0.000 1.972 263 A HA -0.185 4.098 4.320 -0.062 0.000 0.219 263 A C 2.232 179.801 177.584 -0.025 0.000 1.169 263 A CA 2.222 54.279 52.037 0.035 0.000 0.635 263 A CB -1.257 17.815 19.000 0.120 0.000 0.810 263 A HN 0.533 nan 8.150 nan 0.000 0.446 264 T N 0.305 114.847 114.554 -0.021 0.000 2.622 264 T HA -0.080 4.232 4.350 -0.062 0.000 0.266 264 T C 2.281 176.971 174.700 -0.018 0.000 1.047 264 T CA 1.869 63.946 62.100 -0.039 0.000 1.159 264 T CB -0.570 68.281 68.868 -0.030 0.000 0.863 264 T HN 0.636 nan 8.240 nan 0.000 0.422 265 A N 1.391 124.221 122.820 0.016 0.000 1.917 265 A HA -0.253 4.030 4.320 -0.062 0.000 0.219 265 A C 2.112 179.675 177.584 -0.036 0.000 1.182 265 A CA 1.788 53.843 52.037 0.030 0.000 0.633 265 A CB -0.997 18.000 19.000 -0.005 0.000 0.819 265 A HN 0.619 nan 8.150 nan 0.000 0.448 266 H N -0.619 118.387 119.070 -0.106 0.000 2.387 266 H HA -0.095 4.426 4.556 -0.059 0.000 0.299 266 H C 2.319 177.535 175.328 -0.187 0.000 1.090 266 H CA 1.952 57.909 56.048 -0.152 0.000 1.332 266 H CB -0.266 29.391 29.762 -0.176 0.000 1.386 266 H HN 0.520 nan 8.280 nan 0.000 0.516 267 T N 1.349 115.849 114.554 -0.090 0.000 2.746 267 T HA -0.125 4.188 4.350 -0.062 0.000 0.267 267 T C 2.227 176.842 174.700 -0.141 0.000 1.039 267 T CA 0.754 62.751 62.100 -0.172 0.000 1.142 267 T CB -0.324 68.422 68.868 -0.203 0.000 0.866 267 T HN 0.035 nan 8.240 nan 0.000 0.444 268 L N 0.669 121.827 121.223 -0.109 0.000 2.042 268 L HA -0.006 4.297 4.340 -0.062 0.000 0.210 268 L C 2.358 179.143 176.870 -0.142 0.000 1.076 268 L CA 1.435 56.198 54.840 -0.128 0.000 0.749 268 L CB -0.930 41.071 42.059 -0.097 0.000 0.893 268 L HN 0.280 nan 8.230 nan 0.000 0.432 269 L N -1.789 119.368 121.223 -0.111 0.000 2.056 269 L HA -0.212 4.091 4.340 -0.062 0.000 0.207 269 L C 2.475 179.257 176.870 -0.146 0.000 1.078 269 L CA 0.715 55.479 54.840 -0.126 0.000 0.749 269 L CB -0.566 41.416 42.059 -0.129 0.000 0.901 269 L HN 0.250 nan 8.230 nan 0.000 0.433 270 L N 0.031 121.163 121.223 -0.153 0.000 2.012 270 L HA -0.219 4.084 4.340 -0.062 0.000 0.210 270 L C 2.799 179.616 176.870 -0.087 0.000 1.073 270 L CA 1.713 56.467 54.840 -0.144 0.000 0.748 270 L CB -0.387 41.574 42.059 -0.163 0.000 0.891 270 L HN 0.078 nan 8.230 nan 0.000 0.431 271 R N -0.717 119.711 120.500 -0.120 0.000 2.091 271 R HA -0.219 4.084 4.340 -0.062 0.000 0.238 271 R C 2.217 178.447 176.300 -0.117 0.000 1.136 271 R CA 1.517 57.547 56.100 -0.117 0.000 0.959 271 R CB -0.349 29.860 30.300 -0.152 0.000 0.856 271 R HN 0.380 nan 8.270 nan 0.000 0.437 272 E N -0.062 120.047 120.200 -0.152 0.000 2.204 272 E HA -0.203 4.110 4.350 -0.062 0.000 0.194 272 E C 1.656 178.177 176.600 -0.131 0.000 0.989 272 E CA 1.441 57.726 56.400 -0.192 0.000 0.824 272 E CB -0.083 29.440 29.700 -0.294 0.000 0.756 272 E HN 0.455 nan 8.360 nan 0.000 0.477 273 H N -0.239 118.753 119.070 -0.130 0.000 2.299 273 H HA -0.009 4.512 4.556 -0.058 0.000 0.302 273 H C 1.689 176.987 175.328 -0.049 0.000 1.078 273 H CA 2.097 58.108 56.048 -0.061 0.000 1.323 273 H CB -0.103 29.660 29.762 0.002 0.000 1.381 273 H HN 0.101 nan 8.280 nan 0.000 0.498 274 N N 0.565 119.303 118.700 0.063 0.000 2.104 274 N HA -0.164 4.539 4.740 -0.062 0.000 0.190 274 N C 2.001 177.453 175.510 -0.096 0.000 1.024 274 N CA 1.098 54.155 53.050 0.011 0.000 0.853 274 N CB -0.413 38.111 38.487 0.062 0.000 1.008 274 N HN 0.370 nan 8.380 nan 0.000 0.424 275 R N 0.093 120.526 120.500 -0.111 0.000 2.105 275 R HA -0.096 4.207 4.340 -0.062 0.000 0.239 275 R C 1.476 177.679 176.300 -0.162 0.000 1.135 275 R CA 0.944 56.968 56.100 -0.127 0.000 0.967 275 R CB -0.175 30.037 30.300 -0.147 0.000 0.861 275 R HN 0.123 nan 8.270 nan 0.000 0.442 276 L N -0.240 120.852 121.223 -0.219 0.000 2.209 276 L HA 0.102 4.405 4.340 -0.062 0.000 0.207 276 L C 2.162 178.886 176.870 -0.245 0.000 1.094 276 L CA 1.562 56.248 54.840 -0.256 0.000 0.790 276 L CB -0.612 41.265 42.059 -0.303 0.000 0.932 276 L HN 0.137 nan 8.230 nan 0.000 0.447 277 A N 0.286 122.941 122.820 -0.275 0.000 1.898 277 A HA -0.163 4.120 4.320 -0.062 0.000 0.214 277 A C 2.342 179.869 177.584 -0.096 0.000 1.183 277 A CA 1.268 53.184 52.037 -0.201 0.000 0.622 277 A CB -0.400 18.455 19.000 -0.243 0.000 0.824 277 A HN 0.516 nan 8.150 nan 0.000 0.444 278 R N -0.795 119.652 120.500 -0.088 0.000 2.092 278 R HA -0.083 4.220 4.340 -0.062 0.000 0.231 278 R C 1.598 177.861 176.300 -0.062 0.000 1.119 278 R CA 1.549 57.618 56.100 -0.052 0.000 0.970 278 R CB -0.452 29.826 30.300 -0.037 0.000 0.864 278 R HN 0.253 nan 8.270 nan 0.000 0.440 279 E N 1.412 121.558 120.200 -0.091 0.000 2.070 279 E HA -0.126 4.187 4.350 -0.062 0.000 0.197 279 E C 2.037 178.579 176.600 -0.097 0.000 1.004 279 E CA 1.352 57.693 56.400 -0.098 0.000 0.805 279 E CB -0.301 29.320 29.700 -0.131 0.000 0.744 279 E HN 0.369 nan 8.360 nan 0.000 0.451 280 L N 0.149 121.314 121.223 -0.097 0.000 2.056 280 L HA -0.196 4.107 4.340 -0.062 0.000 0.207 280 L C 2.354 179.185 176.870 -0.065 0.000 1.078 280 L CA 1.189 55.984 54.840 -0.074 0.000 0.749 280 L CB -0.398 41.677 42.059 0.026 0.000 0.901 280 L HN 0.088 nan 8.230 nan 0.000 0.433 281 K N 0.962 121.352 120.400 -0.016 0.000 2.044 281 K HA -0.228 4.055 4.320 -0.062 0.000 0.210 281 K C 1.990 178.563 176.600 -0.045 0.000 1.049 281 K CA 1.686 57.969 56.287 -0.007 0.000 0.927 281 K CB -0.182 32.326 32.500 0.013 0.000 0.713 281 K HN 0.037 nan 8.250 nan 0.000 0.443 282 K N -0.151 120.219 120.400 -0.049 0.000 2.089 282 K HA -0.154 4.129 4.320 -0.062 0.000 0.210 282 K C 1.922 178.481 176.600 -0.069 0.000 1.048 282 K CA 1.890 58.147 56.287 -0.050 0.000 0.926 282 K CB -0.189 32.281 32.500 -0.049 0.000 0.714 282 K HN 0.211 nan 8.250 nan 0.000 0.448 283 L N 0.006 121.163 121.223 -0.111 0.000 2.249 283 L HA -0.015 4.288 4.340 -0.062 0.000 0.207 283 L C 0.200 176.944 176.870 -0.211 0.000 1.090 283 L CA 0.476 55.232 54.840 -0.140 0.000 0.802 283 L CB -0.115 41.855 42.059 -0.149 0.000 0.947 283 L HN 0.101 nan 8.230 nan 0.000 0.453 284 N N 0.086 118.586 118.700 -0.333 0.000 2.841 284 N HA 0.209 4.911 4.740 -0.062 0.000 0.257 284 N C -2.153 173.190 175.510 -0.279 0.000 1.396 284 N CA -1.156 51.585 53.050 -0.514 0.000 0.823 284 N CB 1.325 38.920 38.487 -1.487 0.000 1.162 284 N HN -0.100 nan 8.380 nan 0.000 0.503 285 P HA -0.148 nan 4.420 nan 0.000 0.220 285 P C 1.342 178.712 177.300 0.117 0.000 1.148 285 P CA 1.246 64.381 63.100 0.058 0.000 0.803 285 P CB 0.089 31.839 31.700 0.083 0.000 0.782 286 H N -3.396 115.719 119.070 0.075 0.000 2.462 286 H HA -0.055 4.464 4.556 -0.061 0.000 0.292 286 H C 0.366 175.853 175.328 0.266 0.000 1.049 286 H CA 0.083 56.216 56.048 0.142 0.000 1.334 286 H CB -1.387 28.456 29.762 0.136 0.000 1.404 286 H HN 0.074 nan 8.280 nan 0.000 0.544 287 W N 3.195 124.224 121.300 -0.453 0.000 2.377 287 W HA 0.007 4.623 4.660 -0.073 0.000 0.341 287 W C 1.036 177.504 176.519 -0.085 0.000 1.240 287 W CA -0.169 57.015 57.345 -0.268 0.000 1.311 287 W CB -0.334 28.975 29.460 -0.251 0.000 1.175 287 W HN 0.198 nan 8.180 nan 0.000 0.571 288 N N 1.053 119.804 118.700 0.084 0.000 2.445 288 N HA 0.196 4.899 4.740 -0.062 0.000 0.264 288 N C 1.365 176.888 175.510 0.021 0.000 1.227 288 N CA 0.594 53.663 53.050 0.032 0.000 0.963 288 N CB 1.070 39.543 38.487 -0.024 0.000 1.188 288 N HN 0.448 nan 8.380 nan 0.000 0.491 289 G N 0.903 109.715 108.800 0.021 0.000 2.476 289 G HA2 -0.310 3.613 3.960 -0.062 0.000 0.218 289 G HA3 -0.310 3.613 3.960 -0.062 0.000 0.218 289 G C 1.191 176.096 174.900 0.008 0.000 1.164 289 G CA 1.212 46.324 45.100 0.020 0.000 0.768 289 G HN 0.709 nan 8.290 nan 0.000 0.560 290 E N 0.576 120.759 120.200 -0.029 0.000 2.031 290 E HA -0.086 4.227 4.350 -0.062 0.000 0.193 290 E C 2.360 178.917 176.600 -0.071 0.000 0.994 290 E CA 1.455 57.830 56.400 -0.042 0.000 0.800 290 E CB -0.334 29.333 29.700 -0.055 0.000 0.752 290 E HN 0.416 nan 8.360 nan 0.000 0.447 291 K N -0.354 119.957 120.400 -0.148 0.000 2.152 291 K HA -0.125 4.158 4.320 -0.062 0.000 0.206 291 K C 1.944 178.381 176.600 -0.272 0.000 1.048 291 K CA 0.936 57.032 56.287 -0.319 0.000 0.933 291 K CB -0.088 32.062 32.500 -0.583 0.000 0.721 291 K HN 0.168 nan 8.250 nan 0.000 0.447 292 L N 0.377 121.556 121.223 -0.073 0.000 2.017 292 L HA -0.227 4.076 4.340 -0.062 0.000 0.208 292 L C 2.261 179.135 176.870 0.006 0.000 1.073 292 L CA 1.737 56.599 54.840 0.038 0.000 0.745 292 L CB -1.380 40.734 42.059 0.090 0.000 0.894 292 L HN 0.256 nan 8.230 nan 0.000 0.432 293 Y N 0.954 121.203 120.300 -0.085 0.000 2.049 293 Y HA -0.291 4.227 4.550 -0.053 0.000 0.277 293 Y C 2.800 178.573 175.900 -0.211 0.000 1.143 293 Y CA 1.778 59.857 58.100 -0.035 0.000 1.115 293 Y CB -0.309 38.113 38.460 -0.062 0.000 0.975 293 Y HN 0.212 nan 8.280 nan 0.000 0.487 294 Q N 0.436 120.022 119.800 -0.355 0.000 2.152 294 Q HA -0.216 4.087 4.340 -0.062 0.000 0.206 294 Q C 2.027 177.575 176.000 -0.754 0.000 0.985 294 Q CA 1.923 57.209 55.803 -0.861 0.000 0.863 294 Q CB -0.372 27.436 28.738 -1.550 0.000 0.904 294 Q HN 0.666 nan 8.270 nan 0.000 0.422 295 E N 0.033 119.965 120.200 -0.446 0.000 2.112 295 E HA -0.023 4.290 4.350 -0.062 0.000 0.190 295 E C 1.915 178.461 176.600 -0.090 0.000 0.979 295 E CA 0.794 57.120 56.400 -0.123 0.000 0.814 295 E CB -0.022 29.720 29.700 0.070 0.000 0.762 295 E HN 0.296 nan 8.360 nan 0.000 0.460 296 A N 1.927 124.636 122.820 -0.185 0.000 1.858 296 A HA -0.229 4.054 4.320 -0.062 0.000 0.216 296 A C 2.222 179.726 177.584 -0.134 0.000 1.190 296 A CA 1.840 53.744 52.037 -0.222 0.000 0.617 296 A CB -0.608 18.107 19.000 -0.475 0.000 0.827 296 A HN 0.162 nan 8.150 nan 0.000 0.443 297 R N 0.133 120.467 120.500 -0.278 0.000 2.136 297 R HA -0.286 4.017 4.340 -0.062 0.000 0.242 297 R C 2.238 178.384 176.300 -0.256 0.000 1.131 297 R CA 2.561 58.322 56.100 -0.565 0.000 0.937 297 R CB -0.392 29.198 30.300 -1.184 0.000 0.863 297 R HN 0.519 nan 8.270 nan 0.000 0.435 298 K N -0.031 120.260 120.400 -0.181 0.000 2.063 298 K HA -0.150 4.133 4.320 -0.062 0.000 0.208 298 K C 2.023 178.788 176.600 0.275 0.000 1.048 298 K CA 1.997 58.310 56.287 0.044 0.000 0.928 298 K CB -0.160 32.398 32.500 0.097 0.000 0.713 298 K HN 0.332 nan 8.250 nan 0.000 0.442 299 I N 0.446 121.150 120.570 0.223 0.000 2.202 299 I HA -0.234 3.899 4.170 -0.062 0.000 0.242 299 I C 2.153 178.361 176.117 0.151 0.000 1.091 299 I CA 0.504 61.931 61.300 0.211 0.000 1.368 299 I CB -0.142 37.847 38.000 -0.017 0.000 1.058 299 I HN 0.192 nan 8.210 nan 0.000 0.410 300 L N 0.918 122.216 121.223 0.125 0.000 2.042 300 L HA -0.151 4.152 4.340 -0.062 0.000 0.210 300 L C 2.361 179.408 176.870 0.296 0.000 1.076 300 L CA 2.204 57.158 54.840 0.189 0.000 0.749 300 L CB -1.182 41.025 42.059 0.247 0.000 0.893 300 L HN 0.243 nan 8.230 nan 0.000 0.432 301 G N -1.328 107.622 108.800 0.250 0.000 2.446 301 G HA2 -0.302 3.621 3.960 -0.062 0.000 0.217 301 G HA3 -0.302 3.621 3.960 -0.062 0.000 0.217 301 G C 1.630 176.655 174.900 0.210 0.000 1.168 301 G CA 0.879 46.123 45.100 0.239 0.000 0.771 301 G HN 0.611 nan 8.290 nan 0.000 0.551 302 A N 0.335 123.279 122.820 0.206 0.000 1.940 302 A HA 0.008 4.291 4.320 -0.062 0.000 0.219 302 A C 2.181 179.688 177.584 -0.129 0.000 1.176 302 A CA 1.726 53.776 52.037 0.022 0.000 0.631 302 A CB -0.545 18.451 19.000 -0.007 0.000 0.814 302 A HN 0.502 nan 8.150 nan 0.000 0.446 303 F N 0.505 120.396 119.950 -0.098 0.000 2.084 303 F HA -0.121 4.325 4.527 -0.135 0.000 0.296 303 F C 1.937 177.773 175.800 0.060 0.000 1.111 303 F CA 1.807 59.757 58.000 -0.085 0.000 1.224 303 F CB -0.223 38.761 39.000 -0.028 0.000 0.991 303 F HN 0.161 nan 8.300 nan 0.000 0.471 304 I N 0.429 121.159 120.570 0.267 0.000 2.361 304 I HA -0.315 3.818 4.170 -0.062 0.000 0.251 304 I C 2.315 178.620 176.117 0.313 0.000 1.133 304 I CA 1.381 62.912 61.300 0.385 0.000 1.413 304 I CB -0.593 37.664 38.000 0.428 0.000 1.073 304 I HN 0.356 nan 8.210 nan 0.000 0.424 305 Q N 0.429 120.324 119.800 0.158 0.000 2.119 305 Q HA -0.158 4.145 4.340 -0.062 0.000 0.201 305 Q C 2.361 178.441 176.000 0.134 0.000 0.972 305 Q CA 1.395 57.305 55.803 0.178 0.000 0.847 305 Q CB -0.012 28.596 28.738 -0.216 0.000 0.903 305 Q HN 0.547 nan 8.270 nan 0.000 0.433 306 I N 0.631 121.065 120.570 -0.226 0.000 2.163 306 I HA -0.255 3.878 4.170 -0.062 0.000 0.240 306 I C 2.197 178.239 176.117 -0.125 0.000 1.081 306 I CA 0.849 61.978 61.300 -0.284 0.000 1.353 306 I CB -0.221 37.401 38.000 -0.630 0.000 1.054 306 I HN 0.202 nan 8.210 nan 0.000 0.407 307 I N 0.476 120.870 120.570 -0.293 0.000 2.286 307 I HA -0.252 3.881 4.170 -0.062 0.000 0.248 307 I C 2.513 178.522 176.117 -0.182 0.000 1.115 307 I CA 1.724 62.802 61.300 -0.370 0.000 1.392 307 I CB -1.377 36.128 38.000 -0.826 0.000 1.065 307 I HN 0.297 nan 8.210 nan 0.000 0.418 308 T N 0.859 115.507 114.554 0.157 0.000 2.737 308 T HA -0.107 4.206 4.350 -0.062 0.000 0.265 308 T C 1.731 176.557 174.700 0.210 0.000 1.038 308 T CA 1.425 63.746 62.100 0.369 0.000 1.144 308 T CB -0.291 68.954 68.868 0.628 0.000 0.866 308 T HN 0.095 nan 8.240 nan 0.000 0.434 309 F N 0.768 120.841 119.950 0.205 0.000 2.335 309 F HA 0.247 4.734 4.527 -0.066 0.000 0.296 309 F C 2.547 178.427 175.800 0.133 0.000 1.091 309 F CA 0.497 58.630 58.000 0.222 0.000 1.399 309 F CB -0.070 39.206 39.000 0.461 0.000 1.067 309 F HN -0.068 nan 8.300 nan 0.000 0.520 310 R N 0.135 120.778 120.500 0.238 0.000 2.075 310 R HA -0.058 4.245 4.340 -0.062 0.000 0.220 310 R C 1.151 177.468 176.300 0.028 0.000 1.118 310 R CA 1.625 57.805 56.100 0.134 0.000 0.986 310 R CB -0.096 30.265 30.300 0.101 0.000 0.884 310 R HN 0.117 nan 8.270 nan 0.000 0.439 311 D N -1.064 119.308 120.400 -0.047 0.000 2.338 311 D HA -0.064 4.539 4.640 -0.062 0.000 0.208 311 D C 1.196 177.313 176.300 -0.305 0.000 0.997 311 D CA 0.643 54.562 54.000 -0.134 0.000 0.880 311 D CB -0.021 40.723 40.800 -0.093 0.000 0.980 311 D HN 0.229 nan 8.370 nan 0.000 0.509 312 Y N 1.118 121.142 120.300 -0.461 0.000 2.353 312 Y HA 0.195 4.707 4.550 -0.063 0.000 0.294 312 Y C 1.974 177.736 175.900 -0.229 0.000 1.135 312 Y CA 0.608 58.420 58.100 -0.480 0.000 1.176 312 Y CB -0.244 37.957 38.460 -0.431 0.000 1.124 312 Y HN -0.228 nan 8.280 nan 0.000 0.537 313 L N 0.692 121.702 121.223 -0.354 0.000 2.046 313 L HA -0.110 4.193 4.340 -0.062 0.000 0.208 313 L C -0.654 176.030 176.870 -0.311 0.000 1.077 313 L CA 1.114 55.667 54.840 -0.478 0.000 0.747 313 L CB -1.693 40.012 42.059 -0.591 0.000 0.896 313 L HN 0.191 nan 8.230 nan 0.000 0.432 314 P HA -0.182 nan 4.420 nan 0.000 0.219 314 P C 1.520 178.744 177.300 -0.126 0.000 1.146 314 P CA 1.442 64.471 63.100 -0.119 0.000 0.808 314 P CB -0.096 31.561 31.700 -0.073 0.000 0.779 315 I N -5.488 114.988 120.570 -0.157 0.000 3.875 315 I HA 0.111 4.244 4.170 -0.062 0.000 0.329 315 I C 0.967 177.036 176.117 -0.079 0.000 1.295 315 I CA 0.203 61.428 61.300 -0.126 0.000 1.129 315 I CB -0.013 37.905 38.000 -0.135 0.000 1.008 315 I HN -0.242 nan 8.210 nan 0.000 0.413 316 V N 0.479 120.303 119.914 -0.150 0.000 2.627 316 V HA 0.038 4.121 4.120 -0.062 0.000 0.239 316 V C 2.134 178.137 176.094 -0.152 0.000 1.077 316 V CA 0.622 62.848 62.300 -0.124 0.000 1.103 316 V CB 0.005 31.640 31.823 -0.314 0.000 0.802 316 V HN 0.289 nan 8.190 nan 0.000 0.482 317 L N 0.594 121.720 121.223 -0.161 0.000 2.291 317 L HA 0.247 4.550 4.340 -0.062 0.000 0.214 317 L C 1.726 178.575 176.870 -0.035 0.000 1.120 317 L CA 1.786 56.575 54.840 -0.085 0.000 0.799 317 L CB -1.986 40.047 42.059 -0.043 0.000 0.925 317 L HN 0.535 nan 8.230 nan 0.000 0.446 318 G N 0.221 108.989 108.800 -0.054 0.000 2.596 318 G HA2 -0.426 3.497 3.960 -0.062 0.000 0.295 318 G HA3 -0.426 3.497 3.960 -0.062 0.000 0.295 318 G C 1.164 176.057 174.900 -0.012 0.000 1.240 318 G CA 1.390 46.467 45.100 -0.038 0.000 0.985 318 G HN 0.413 nan 8.290 nan 0.000 0.555 319 S N -0.006 115.690 115.700 -0.007 0.000 2.440 319 S HA -0.061 4.372 4.470 -0.062 0.000 0.238 319 S C 1.685 176.294 174.600 0.015 0.000 1.010 319 S CA 2.069 60.268 58.200 -0.002 0.000 0.972 319 S CB -0.142 63.054 63.200 -0.007 0.000 0.774 319 S HN 0.647 nan 8.310 nan 0.000 0.501 320 E N 0.733 120.967 120.200 0.057 0.000 2.358 320 E HA 0.002 4.315 4.350 -0.062 0.000 0.195 320 E C 1.659 178.370 176.600 0.185 0.000 1.010 320 E CA 0.588 57.068 56.400 0.133 0.000 0.856 320 E CB -0.369 29.500 29.700 0.281 0.000 0.795 320 E HN 0.630 nan 8.360 nan 0.000 0.504 321 M N 1.888 121.561 119.600 0.123 0.000 2.226 321 M HA -0.313 4.130 4.480 -0.062 0.000 0.257 321 M C 2.069 178.434 176.300 0.107 0.000 1.070 321 M CA 2.217 57.587 55.300 0.117 0.000 1.087 321 M CB -0.332 32.291 32.600 0.039 0.000 1.278 321 M HN -0.012 nan 8.290 nan 0.000 0.426 322 Q N -0.159 119.665 119.800 0.041 0.000 2.437 322 Q HA -0.180 4.123 4.340 -0.062 0.000 0.210 322 Q C 1.549 177.517 176.000 -0.054 0.000 0.972 322 Q CA 1.589 57.401 55.803 0.016 0.000 0.903 322 Q CB -0.757 27.984 28.738 0.005 0.000 0.967 322 Q HN 0.753 nan 8.270 nan 0.000 0.486 323 K N -0.684 119.624 120.400 -0.153 0.000 2.426 323 K HA -0.019 4.264 4.320 -0.062 0.000 0.193 323 K C 0.627 176.875 176.600 -0.585 0.000 1.028 323 K CA 0.352 56.400 56.287 -0.398 0.000 1.047 323 K CB 0.060 32.236 32.500 -0.541 0.000 0.821 323 K HN 0.334 nan 8.250 nan 0.000 0.513 324 W N 0.224 121.535 121.300 0.019 0.000 3.097 324 W HA 0.408 5.030 4.660 -0.064 0.000 0.245 324 W C 0.120 176.674 176.519 0.058 0.000 1.120 324 W CA -0.676 56.689 57.345 0.033 0.000 1.468 324 W CB 0.928 30.417 29.460 0.049 0.000 0.851 324 W HN -0.211 nan 8.180 nan 0.000 0.692 325 I N 2.999 123.739 120.570 0.285 0.000 2.697 325 I HA 0.206 4.339 4.170 -0.062 0.000 0.279 325 I C -2.034 174.182 176.117 0.163 0.000 1.171 325 I CA -1.828 59.614 61.300 0.237 0.000 1.135 325 I CB 0.300 38.454 38.000 0.258 0.000 1.445 325 I HN -0.434 nan 8.210 nan 0.000 0.541 326 P HA 0.266 nan 4.420 nan 0.000 0.275 326 P C -2.566 174.800 177.300 0.110 0.000 1.270 326 P CA -1.009 62.137 63.100 0.076 0.000 0.791 326 P CB -0.601 31.120 31.700 0.036 0.000 1.089 327 P HA 0.163 nan 4.420 nan 0.000 0.276 327 P C -0.704 176.681 177.300 0.143 0.000 1.244 327 P CA -0.331 62.850 63.100 0.136 0.000 0.801 327 P CB 0.095 31.858 31.700 0.106 0.000 1.006 328 Y N 1.402 121.722 120.300 0.033 0.000 2.526 328 Y HA 0.005 4.523 4.550 -0.055 0.000 0.330 328 Y C 1.217 177.111 175.900 -0.009 0.000 1.156 328 Y CA 0.788 58.878 58.100 -0.017 0.000 1.419 328 Y CB 0.531 38.981 38.460 -0.016 0.000 1.250 328 Y HN 0.366 nan 8.280 nan 0.000 0.540 329 Q N 4.499 124.040 119.800 -0.431 0.000 2.194 329 Q HA 0.315 4.618 4.340 -0.062 0.000 0.214 329 Q C 0.152 175.829 176.000 -0.538 0.000 0.838 329 Q CA 0.334 55.914 55.803 -0.372 0.000 0.972 329 Q CB 0.832 29.445 28.738 -0.207 0.000 1.131 329 Q HN 1.032 nan 8.270 nan 0.000 0.498 330 G N 1.190 109.299 108.800 -1.152 0.000 2.576 330 G HA2 -0.236 3.687 3.960 -0.062 0.000 0.686 330 G HA3 -0.236 3.687 3.960 -0.062 0.000 0.686 330 G C -1.218 173.450 174.900 -0.387 0.000 1.242 330 G CA -1.011 43.641 45.100 -0.748 0.000 0.819 330 G HN 0.169 nan 8.290 nan 0.000 0.655 331 Y N 1.867 122.088 120.300 -0.131 0.000 2.810 331 Y HA 0.363 4.878 4.550 -0.060 0.000 0.332 331 Y C 0.491 176.363 175.900 -0.046 0.000 1.243 331 Y CA 0.034 58.139 58.100 0.008 0.000 1.537 331 Y CB 0.715 39.202 38.460 0.046 0.000 1.265 331 Y HN 0.625 nan 8.280 nan 0.000 0.572 332 N N 6.059 124.503 118.700 -0.427 0.000 2.626 332 N HA 0.046 4.749 4.740 -0.062 0.000 0.242 332 N C 0.492 175.615 175.510 -0.646 0.000 1.005 332 N CA -0.229 52.539 53.050 -0.469 0.000 0.905 332 N CB 0.034 38.404 38.487 -0.195 0.000 1.128 332 N HN 0.933 nan 8.380 nan 0.000 0.512 333 N N 1.178 119.388 118.700 -0.817 0.000 2.585 333 N HA -0.098 4.605 4.740 -0.062 0.000 0.188 333 N C 0.094 175.518 175.510 -0.143 0.000 1.102 333 N CA 0.481 53.242 53.050 -0.482 0.000 0.920 333 N CB 0.269 38.583 38.487 -0.290 0.000 0.963 333 N HN 0.144 nan 8.380 nan 0.000 0.447 334 S N 0.055 115.677 115.700 -0.130 0.000 2.517 334 S HA 0.155 4.588 4.470 -0.062 0.000 0.214 334 S C 0.530 175.131 174.600 0.001 0.000 0.991 334 S CA -0.483 57.693 58.200 -0.041 0.000 0.906 334 S CB 0.547 63.719 63.200 -0.047 0.000 0.789 334 S HN 0.113 nan 8.310 nan 0.000 0.513 335 V N 3.260 123.175 119.914 0.001 0.000 2.614 335 V HA 0.169 4.252 4.120 -0.062 0.000 0.291 335 V C 0.048 176.202 176.094 0.100 0.000 1.049 335 V CA -0.668 61.661 62.300 0.047 0.000 1.038 335 V CB 1.075 32.928 31.823 0.050 0.000 0.980 335 V HN 0.211 nan 8.190 nan 0.000 0.481 336 D N 7.087 127.552 120.400 0.108 0.000 2.365 336 D HA 0.243 4.846 4.640 -0.062 0.000 0.237 336 D C -1.373 175.008 176.300 0.135 0.000 1.190 336 D CA -2.156 51.924 54.000 0.134 0.000 0.867 336 D CB 1.598 42.489 40.800 0.151 0.000 1.050 336 D HN 0.263 nan 8.370 nan 0.000 0.491 337 P HA -0.004 nan 4.420 nan 0.000 0.245 337 P C 0.032 177.278 177.300 -0.089 0.000 1.212 337 P CA 0.085 63.218 63.100 0.055 0.000 0.774 337 P CB 0.265 32.037 31.700 0.120 0.000 0.999 338 R N 0.581 121.065 120.500 -0.028 0.000 2.442 338 R HA 0.203 4.506 4.340 -0.062 0.000 0.291 338 R C 0.548 176.787 176.300 -0.102 0.000 1.069 338 R CA -0.734 55.319 56.100 -0.078 0.000 1.022 338 R CB 0.303 30.602 30.300 -0.003 0.000 0.976 338 R HN -0.009 nan 8.270 nan 0.000 0.443 339 I N 2.883 123.337 120.570 -0.192 0.000 2.741 339 I HA -0.108 4.025 4.170 -0.062 0.000 0.288 339 I C 1.116 177.077 176.117 -0.260 0.000 1.192 339 I CA 0.622 61.757 61.300 -0.276 0.000 1.426 339 I CB -0.180 37.702 38.000 -0.197 0.000 1.367 339 I HN 0.685 nan 8.210 nan 0.000 0.563 340 S N 5.522 120.925 115.700 -0.495 0.000 2.617 340 S HA 0.184 4.617 4.470 -0.062 0.000 0.269 340 S C 1.083 175.451 174.600 -0.387 0.000 1.292 340 S CA -0.658 57.130 58.200 -0.686 0.000 1.010 340 S CB 1.529 63.587 63.200 -1.903 0.000 0.944 340 S HN 0.642 nan 8.310 nan 0.000 0.536 341 N N 0.771 119.334 118.700 -0.228 0.000 2.120 341 N HA -0.131 4.572 4.740 -0.062 0.000 0.188 341 N C 1.653 177.150 175.510 -0.023 0.000 1.024 341 N CA 1.449 54.487 53.050 -0.020 0.000 0.852 341 N CB -0.624 37.951 38.487 0.146 0.000 1.003 341 N HN 0.553 nan 8.380 nan 0.000 0.424 342 V N 0.589 120.407 119.914 -0.160 0.000 2.427 342 V HA -0.162 3.921 4.120 -0.062 0.000 0.248 342 V C 2.069 178.049 176.094 -0.190 0.000 1.051 342 V CA 1.328 63.509 62.300 -0.198 0.000 1.048 342 V CB -0.795 30.591 31.823 -0.729 0.000 0.666 342 V HN 0.254 nan 8.190 nan 0.000 0.456 343 F N 2.134 121.815 119.950 -0.449 0.000 2.115 343 F HA -0.269 4.220 4.527 -0.063 0.000 0.300 343 F C 2.641 178.340 175.800 -0.168 0.000 1.092 343 F CA 2.575 60.380 58.000 -0.325 0.000 1.245 343 F CB -0.807 37.946 39.000 -0.410 0.000 0.995 343 F HN 0.396 nan 8.300 nan 0.000 0.481 344 T N -2.395 112.046 114.554 -0.189 0.000 3.098 344 T HA -0.166 4.147 4.350 -0.062 0.000 0.266 344 T C 1.507 175.841 174.700 -0.611 0.000 1.145 344 T CA 1.377 63.245 62.100 -0.387 0.000 1.092 344 T CB -0.979 67.626 68.868 -0.438 0.000 0.908 344 T HN 0.331 nan 8.240 nan 0.000 0.526 345 F N 0.464 120.323 119.950 -0.151 0.000 2.602 345 F HA 0.580 5.070 4.527 -0.061 0.000 0.284 345 F C 2.706 178.527 175.800 0.036 0.000 1.111 345 F CA -0.094 57.868 58.000 -0.063 0.000 1.405 345 F CB -0.411 38.565 39.000 -0.041 0.000 1.121 345 F HN 0.187 nan 8.300 nan 0.000 0.603 346 A N 0.302 123.155 122.820 0.056 0.000 1.877 346 A HA -0.206 4.077 4.320 -0.062 0.000 0.216 346 A C 1.951 179.640 177.584 0.175 0.000 1.186 346 A CA 1.247 53.308 52.037 0.040 0.000 0.620 346 A CB -1.165 17.762 19.000 -0.121 0.000 0.822 346 A HN 0.334 nan 8.150 nan 0.000 0.443 347 F N 0.941 120.719 119.950 -0.287 0.000 2.494 347 F HA -0.027 4.461 4.527 -0.065 0.000 0.298 347 F C 1.953 177.605 175.800 -0.247 0.000 1.106 347 F CA 0.556 58.410 58.000 -0.242 0.000 1.452 347 F CB -0.465 38.158 39.000 -0.628 0.000 1.085 347 F HN 0.215 nan 8.300 nan 0.000 0.569 348 R N -0.251 120.271 120.500 0.036 0.000 2.346 348 R HA -0.124 4.179 4.340 -0.062 0.000 0.199 348 R C 1.896 178.205 176.300 0.016 0.000 1.015 348 R CA 0.608 56.581 56.100 -0.212 0.000 1.058 348 R CB -0.811 29.389 30.300 -0.167 0.000 0.921 348 R HN 0.426 nan 8.270 nan 0.000 0.475 349 F N -1.643 118.391 119.950 0.140 0.000 2.365 349 F HA 0.103 4.592 4.527 -0.064 0.000 0.300 349 F C 1.903 177.791 175.800 0.147 0.000 1.090 349 F CA 0.681 58.758 58.000 0.128 0.000 1.408 349 F CB -0.779 38.273 39.000 0.085 0.000 1.060 349 F HN -0.143 nan 8.300 nan 0.000 0.534 350 G N -0.260 108.021 108.800 -0.866 0.000 2.527 350 G HA2 -0.230 3.693 3.960 -0.062 0.000 0.219 350 G HA3 -0.230 3.693 3.960 -0.062 0.000 0.219 350 G C 1.207 176.114 174.900 0.011 0.000 1.117 350 G CA 0.901 45.680 45.100 -0.535 0.000 0.759 350 G HN 0.637 nan 8.290 nan 0.000 0.556 351 H N -0.403 118.702 119.070 0.059 0.000 2.524 351 H HA 0.110 4.629 4.556 -0.062 0.000 0.282 351 H C 2.254 177.712 175.328 0.217 0.000 1.016 351 H CA 0.482 56.631 56.048 0.169 0.000 1.270 351 H CB 0.126 30.065 29.762 0.294 0.000 1.394 351 H HN 0.361 nan 8.280 nan 0.000 0.568 352 M N -0.112 119.688 119.600 0.334 0.000 2.495 352 M HA 0.015 4.458 4.480 -0.062 0.000 0.237 352 M C 0.735 177.181 176.300 0.243 0.000 1.131 352 M CA 0.801 56.266 55.300 0.275 0.000 1.032 352 M CB 0.314 33.044 32.600 0.218 0.000 1.513 352 M HN 0.250 nan 8.290 nan 0.000 0.488 353 E N 0.751 121.093 120.200 0.237 0.000 2.474 353 E HA 0.119 4.432 4.350 -0.062 0.000 0.195 353 E C -0.245 176.477 176.600 0.203 0.000 1.039 353 E CA -0.125 56.416 56.400 0.234 0.000 0.881 353 E CB 0.755 30.603 29.700 0.247 0.000 0.970 353 E HN 0.156 nan 8.360 nan 0.000 0.486 354 V N 3.574 123.605 119.914 0.195 0.000 2.364 354 V HA 0.208 4.291 4.120 -0.062 0.000 0.272 354 V C -2.167 174.035 176.094 0.179 0.000 1.036 354 V CA -1.909 60.493 62.300 0.169 0.000 0.880 354 V CB 0.938 32.855 31.823 0.157 0.000 0.991 354 V HN 0.014 nan 8.190 nan 0.000 0.460 355 P HA 0.224 nan 4.420 nan 0.000 0.276 355 P C 0.776 178.155 177.300 0.132 0.000 1.261 355 P CA -0.459 62.731 63.100 0.150 0.000 0.800 355 P CB 0.700 32.475 31.700 0.125 0.000 1.066 356 S N -1.566 114.211 115.700 0.127 0.000 2.461 356 S HA 0.015 4.448 4.470 -0.062 0.000 0.228 356 S C 0.804 175.441 174.600 0.061 0.000 1.005 356 S CA 0.795 59.055 58.200 0.101 0.000 0.942 356 S CB -1.094 62.165 63.200 0.098 0.000 0.776 356 S HN 0.695 nan 8.310 nan 0.000 0.514 357 T N -1.155 113.429 114.554 0.050 0.000 2.901 357 T HA 0.757 5.069 4.350 -0.062 0.000 0.293 357 T C -0.930 173.774 174.700 0.006 0.000 1.084 357 T CA -0.841 61.268 62.100 0.015 0.000 1.008 357 T CB 1.888 70.770 68.868 0.022 0.000 1.170 357 T HN 0.040 nan 8.240 nan 0.000 0.509 358 V N 1.237 121.136 119.914 -0.025 0.000 2.709 358 V HA 0.681 4.764 4.120 -0.062 0.000 0.308 358 V C -0.256 175.822 176.094 -0.025 0.000 1.062 358 V CA -0.831 61.453 62.300 -0.027 0.000 0.901 358 V CB 2.051 33.839 31.823 -0.059 0.000 1.003 358 V HN 1.120 nan 8.190 nan 0.000 0.425 359 S N 3.052 118.746 115.700 -0.011 0.000 2.537 359 S HA 0.766 5.199 4.470 -0.062 0.000 0.301 359 S C -0.481 174.097 174.600 -0.036 0.000 1.092 359 S CA -0.832 57.367 58.200 -0.001 0.000 1.048 359 S CB 1.713 64.928 63.200 0.025 0.000 1.053 359 S HN 0.675 nan 8.310 nan 0.000 0.501 360 R N 1.426 121.913 120.500 -0.021 0.000 2.445 360 R HA 0.654 4.957 4.340 -0.062 0.000 0.308 360 R C -0.961 175.324 176.300 -0.024 0.000 0.961 360 R CA -0.250 55.782 56.100 -0.113 0.000 0.862 360 R CB 0.740 30.945 30.300 -0.158 0.000 1.144 360 R HN 0.487 nan 8.270 nan 0.000 0.447 361 L N 2.092 123.222 121.223 -0.155 0.000 2.333 361 L HA 0.517 4.820 4.340 -0.062 0.000 0.269 361 L C -0.166 176.609 176.870 -0.158 0.000 1.010 361 L CA -1.236 53.541 54.840 -0.105 0.000 0.818 361 L CB 1.901 43.830 42.059 -0.217 0.000 1.306 361 L HN 0.689 nan 8.230 nan 0.000 0.430 362 D N -0.497 119.930 120.400 0.044 0.000 2.478 362 D HA 0.070 4.673 4.640 -0.062 0.000 0.269 362 D C 0.615 176.841 176.300 -0.123 0.000 1.232 362 D CA -0.506 53.573 54.000 0.131 0.000 1.059 362 D CB 0.508 41.475 40.800 0.278 0.000 1.104 362 D HN 0.546 nan 8.370 nan 0.000 0.566 363 E N -0.895 119.275 120.200 -0.050 0.000 2.331 363 E HA -0.169 4.144 4.350 -0.062 0.000 0.199 363 E C 0.609 177.161 176.600 -0.080 0.000 1.008 363 E CA 0.734 57.078 56.400 -0.093 0.000 0.843 363 E CB -0.489 29.209 29.700 -0.003 0.000 0.761 363 E HN 0.454 nan 8.360 nan 0.000 0.507 364 N N -0.331 118.340 118.700 -0.048 0.000 2.235 364 N HA 0.039 4.742 4.740 -0.062 0.000 0.209 364 N C -0.748 174.698 175.510 -0.107 0.000 1.122 364 N CA -0.151 52.905 53.050 0.009 0.000 0.845 364 N CB 0.324 38.865 38.487 0.090 0.000 1.004 364 N HN 0.104 nan 8.380 nan 0.000 0.499 365 Y N -0.225 119.827 120.300 -0.414 0.000 4.272 365 Y HA -0.263 4.248 4.550 -0.064 0.000 0.232 365 Y C 0.102 175.892 175.900 -0.182 0.000 1.149 365 Y CA 0.418 58.251 58.100 -0.446 0.000 1.961 365 Y CB -1.552 36.330 38.460 -0.963 0.000 1.611 365 Y HN 0.245 nan 8.280 nan 0.000 0.682 366 Q N 0.327 120.127 119.800 0.001 0.000 2.205 366 Q HA 0.361 4.664 4.340 -0.062 0.000 0.249 366 Q C -2.215 173.829 176.000 0.073 0.000 0.948 366 Q CA -1.974 53.859 55.803 0.050 0.000 0.895 366 Q CB 1.031 29.802 28.738 0.055 0.000 1.249 366 Q HN -0.104 nan 8.270 nan 0.000 0.458 367 P HA -0.135 nan 4.420 nan 0.000 0.256 367 P C -0.770 176.609 177.300 0.132 0.000 1.173 367 P CA 0.634 63.791 63.100 0.095 0.000 0.768 367 P CB -0.020 31.718 31.700 0.062 0.000 0.758 368 W N 6.444 127.722 121.300 -0.037 0.000 2.085 368 W HA 0.458 5.083 4.660 -0.059 0.000 0.392 368 W C 0.644 177.150 176.519 -0.022 0.000 0.862 368 W CA 1.107 58.430 57.345 -0.037 0.000 1.542 368 W CB -0.243 29.185 29.460 -0.053 0.000 1.672 368 W HN 0.749 nan 8.180 nan 0.000 0.309 369 G N 4.684 113.303 108.800 -0.301 0.000 2.526 369 G HA2 -0.229 3.694 3.960 -0.062 0.000 0.250 369 G HA3 -0.229 3.694 3.960 -0.062 0.000 0.250 369 G C -1.945 172.882 174.900 -0.122 0.000 1.289 369 G CA -0.337 44.564 45.100 -0.332 0.000 0.947 369 G HN 0.227 nan 8.290 nan 0.000 0.517 370 P HA 0.218 nan 4.420 nan 0.000 0.245 370 P C 0.450 177.745 177.300 -0.008 0.000 1.199 370 P CA 0.857 63.932 63.100 -0.041 0.000 0.807 370 P CB 0.401 32.074 31.700 -0.045 0.000 1.002 371 E N 0.016 120.218 120.200 0.003 0.000 2.947 371 E HA 0.405 4.718 4.350 -0.062 0.000 0.229 371 E C 0.798 177.436 176.600 0.063 0.000 1.158 371 E CA -0.353 56.064 56.400 0.028 0.000 1.441 371 E CB 0.537 30.255 29.700 0.030 0.000 1.414 371 E HN 0.091 nan 8.360 nan 0.000 0.432 372 A N 1.107 123.969 122.820 0.071 0.000 1.970 372 A HA -0.042 4.241 4.320 -0.062 0.000 0.216 372 A C 1.044 178.669 177.584 0.069 0.000 1.170 372 A CA 0.690 52.798 52.037 0.118 0.000 0.645 372 A CB 0.239 19.310 19.000 0.118 0.000 0.816 372 A HN 0.263 nan 8.150 nan 0.000 0.447 373 E N 0.049 120.272 120.200 0.039 0.000 2.175 373 E HA 0.587 4.900 4.350 -0.062 0.000 0.278 373 E C -1.424 175.170 176.600 -0.009 0.000 0.969 373 E CA -0.343 56.067 56.400 0.017 0.000 0.796 373 E CB 0.883 30.596 29.700 0.023 0.000 1.104 373 E HN 0.350 nan 8.360 nan 0.000 0.395 374 L N 4.986 126.185 121.223 -0.038 0.000 2.354 374 L HA 0.521 4.824 4.340 -0.062 0.000 0.269 374 L C -2.369 174.441 176.870 -0.100 0.000 1.005 374 L CA -2.501 52.289 54.840 -0.083 0.000 0.819 374 L CB 1.973 43.956 42.059 -0.125 0.000 1.311 374 L HN 0.389 nan 8.230 nan 0.000 0.423 375 P HA 0.081 nan 4.420 nan 0.000 0.276 375 P C 0.777 177.936 177.300 -0.235 0.000 1.230 375 P CA -0.364 62.659 63.100 -0.129 0.000 0.776 375 P CB 0.960 32.590 31.700 -0.116 0.000 0.888 376 L N 3.426 124.563 121.223 -0.143 0.000 2.129 376 L HA -0.229 4.074 4.340 -0.062 0.000 0.212 376 L C 2.194 178.733 176.870 -0.551 0.000 1.087 376 L CA 1.968 56.667 54.840 -0.236 0.000 0.757 376 L CB -0.649 41.376 42.059 -0.056 0.000 0.896 376 L HN 0.657 nan 8.230 nan 0.000 0.434 377 H N -1.624 117.215 119.070 -0.385 0.000 2.521 377 H HA -0.088 4.431 4.556 -0.062 0.000 0.286 377 H C 1.581 176.655 175.328 -0.422 0.000 1.034 377 H CA 1.379 57.144 56.048 -0.472 0.000 1.278 377 H CB -0.395 29.391 29.762 0.041 0.000 1.386 377 H HN 0.425 nan 8.280 nan 0.000 0.567 378 T N -1.107 112.995 114.554 -0.753 0.000 3.169 378 T HA 0.197 4.510 4.350 -0.062 0.000 0.250 378 T C 1.592 176.082 174.700 -0.349 0.000 1.111 378 T CA -0.200 61.605 62.100 -0.492 0.000 1.010 378 T CB -0.306 68.295 68.868 -0.446 0.000 0.984 378 T HN 0.335 nan 8.240 nan 0.000 0.537 379 L N -0.380 120.563 121.223 -0.466 0.000 2.693 379 L HA 0.457 4.760 4.340 -0.062 0.000 0.235 379 L C -0.280 176.469 176.870 -0.203 0.000 1.127 379 L CA -0.607 54.031 54.840 -0.336 0.000 0.914 379 L CB -0.047 41.829 42.059 -0.305 0.000 1.193 379 L HN 0.153 nan 8.230 nan 0.000 0.502 380 F N 0.666 120.645 119.950 0.049 0.000 2.543 380 F HA 0.141 4.631 4.527 -0.063 0.000 0.375 380 F C 0.727 176.571 175.800 0.074 0.000 1.075 380 F CA -0.885 57.141 58.000 0.042 0.000 1.225 380 F CB -0.766 38.420 39.000 0.310 0.000 1.099 380 F HN -0.047 nan 8.300 nan 0.000 0.561 381 F N 0.698 120.755 119.950 0.178 0.000 3.048 381 F HA -0.317 4.174 4.527 -0.061 0.000 0.269 381 F C 0.512 176.309 175.800 -0.006 0.000 0.960 381 F CA 0.287 58.325 58.000 0.064 0.000 0.909 381 F CB -1.331 37.704 39.000 0.059 0.000 0.837 381 F HN 0.515 nan 8.300 nan 0.000 0.768 382 N N 0.775 119.494 118.700 0.032 0.000 2.558 382 N HA 0.270 4.973 4.740 -0.062 0.000 0.242 382 N C 0.806 176.247 175.510 -0.115 0.000 0.979 382 N CA 0.455 53.466 53.050 -0.064 0.000 0.931 382 N CB 1.118 39.483 38.487 -0.203 0.000 1.122 382 N HN 0.242 nan 8.380 nan 0.000 0.508 383 T N -0.321 114.187 114.554 -0.076 0.000 3.001 383 T HA 0.044 4.356 4.350 -0.062 0.000 0.251 383 T C 1.692 176.352 174.700 -0.066 0.000 1.040 383 T CA -0.421 61.604 62.100 -0.126 0.000 0.985 383 T CB -0.321 68.332 68.868 -0.359 0.000 1.011 383 T HN 0.643 nan 8.240 nan 0.000 0.509 384 W N 2.052 123.301 121.300 -0.084 0.000 2.467 384 W HA 0.141 4.765 4.660 -0.061 0.000 0.275 384 W C 1.389 177.894 176.519 -0.023 0.000 1.239 384 W CA -0.174 57.135 57.345 -0.060 0.000 1.266 384 W CB -0.579 28.844 29.460 -0.062 0.000 1.112 384 W HN 0.067 nan 8.180 nan 0.000 0.576 385 R N 0.990 121.099 120.500 -0.652 0.000 2.235 385 R HA 0.006 4.309 4.340 -0.062 0.000 0.213 385 R C 2.029 178.189 176.300 -0.233 0.000 1.059 385 R CA 0.847 56.559 56.100 -0.647 0.000 0.997 385 R CB -0.393 29.422 30.300 -0.810 0.000 0.884 385 R HN 0.391 nan 8.270 nan 0.000 0.462 386 I N 0.052 120.532 120.570 -0.151 0.000 2.188 386 I HA -0.213 3.919 4.170 -0.062 0.000 0.237 386 I C 2.133 178.243 176.117 -0.011 0.000 1.073 386 I CA 1.174 62.429 61.300 -0.075 0.000 1.359 386 I CB -0.163 37.811 38.000 -0.044 0.000 1.083 386 I HN -0.008 nan 8.210 nan 0.000 0.412 387 I N 0.390 120.949 120.570 -0.019 0.000 2.439 387 I HA -0.185 3.948 4.170 -0.062 0.000 0.251 387 I C 1.380 177.609 176.117 0.187 0.000 1.139 387 I CA 1.157 62.485 61.300 0.047 0.000 1.438 387 I CB -0.039 37.984 38.000 0.038 0.000 1.085 387 I HN 0.089 nan 8.210 nan 0.000 0.427 388 K N 0.336 120.871 120.400 0.225 0.000 2.576 388 K HA 0.226 4.509 4.320 -0.062 0.000 0.209 388 K C -0.607 176.169 176.600 0.294 0.000 1.049 388 K CA 0.294 56.750 56.287 0.282 0.000 1.140 388 K CB 0.353 33.060 32.500 0.346 0.000 0.871 388 K HN 0.065 nan 8.250 nan 0.000 0.479 389 D N 0.337 120.868 120.400 0.219 0.000 3.118 389 D HA 0.150 4.753 4.640 -0.062 0.000 0.286 389 D C 0.452 176.851 176.300 0.166 0.000 1.255 389 D CA 0.039 54.192 54.000 0.255 0.000 0.748 389 D CB 0.820 41.730 40.800 0.182 0.000 1.332 389 D HN 0.312 nan 8.370 nan 0.000 0.575 390 G N 0.642 109.574 108.800 0.220 0.000 2.148 390 G HA2 -0.023 3.900 3.960 -0.062 0.000 0.254 390 G HA3 -0.023 3.900 3.960 -0.062 0.000 0.254 390 G C 0.870 175.753 174.900 -0.028 0.000 0.981 390 G CA 0.482 45.671 45.100 0.149 0.000 0.670 390 G HN 1.173 nan 8.290 nan 0.000 0.528 391 G N -0.589 108.225 108.800 0.023 0.000 2.593 391 G HA2 -0.026 3.897 3.960 -0.062 0.000 0.237 391 G HA3 -0.026 3.897 3.960 -0.062 0.000 0.237 391 G C 0.961 175.820 174.900 -0.068 0.000 1.312 391 G CA 0.899 46.022 45.100 0.039 0.000 0.896 391 G HN 1.780 nan 8.290 nan 0.000 0.574 392 I N -2.755 117.775 120.570 -0.068 0.000 3.645 392 I HA 0.281 4.414 4.170 -0.062 0.000 0.300 392 I C 1.615 177.637 176.117 -0.159 0.000 1.260 392 I CA 1.296 62.533 61.300 -0.105 0.000 1.365 392 I CB -0.092 37.869 38.000 -0.065 0.000 1.077 392 I HN 0.285 nan 8.210 nan 0.000 0.439 393 D N 3.112 123.408 120.400 -0.173 0.000 2.106 393 D HA -0.126 4.477 4.640 -0.062 0.000 0.191 393 D C -0.377 175.770 176.300 -0.255 0.000 0.997 393 D CA 1.849 55.747 54.000 -0.171 0.000 0.834 393 D CB -1.697 39.044 40.800 -0.099 0.000 0.956 393 D HN 0.334 nan 8.370 nan 0.000 0.448 394 P HA -0.088 nan 4.420 nan 0.000 0.216 394 P C 1.652 178.746 177.300 -0.344 0.000 1.150 394 P CA 0.890 63.675 63.100 -0.526 0.000 0.837 394 P CB -0.030 31.066 31.700 -1.006 0.000 0.786 395 L N -1.526 119.536 121.223 -0.267 0.000 2.109 395 L HA -0.094 4.208 4.340 -0.062 0.000 0.207 395 L C 2.354 179.165 176.870 -0.098 0.000 1.086 395 L CA 0.964 55.705 54.840 -0.164 0.000 0.760 395 L CB -0.964 41.014 42.059 -0.136 0.000 0.910 395 L HN -0.165 nan 8.230 nan 0.000 0.437 396 V N 0.053 119.908 119.914 -0.097 0.000 2.407 396 V HA -0.246 3.837 4.120 -0.062 0.000 0.248 396 V C 2.536 178.627 176.094 -0.004 0.000 1.055 396 V CA 1.702 63.985 62.300 -0.028 0.000 1.049 396 V CB -0.664 31.140 31.823 -0.032 0.000 0.662 396 V HN 0.443 nan 8.190 nan 0.000 0.455 397 R N 0.471 120.911 120.500 -0.100 0.000 2.090 397 R HA 0.019 4.322 4.340 -0.062 0.000 0.228 397 R C 2.537 178.866 176.300 0.049 0.000 1.110 397 R CA 1.145 57.194 56.100 -0.085 0.000 0.973 397 R CB -0.870 29.062 30.300 -0.612 0.000 0.869 397 R HN 0.528 nan 8.270 nan 0.000 0.440 398 G N 1.758 110.540 108.800 -0.028 0.000 2.469 398 G HA2 -0.266 3.657 3.960 -0.062 0.000 0.219 398 G HA3 -0.266 3.657 3.960 -0.062 0.000 0.219 398 G C 1.438 176.386 174.900 0.081 0.000 1.150 398 G CA 0.653 45.770 45.100 0.028 0.000 0.763 398 G HN 0.142 nan 8.290 nan 0.000 0.561 399 L N -0.446 120.819 121.223 0.071 0.000 2.079 399 L HA -0.039 4.264 4.340 -0.062 0.000 0.210 399 L C 2.808 179.749 176.870 0.119 0.000 1.081 399 L CA 0.773 55.664 54.840 0.084 0.000 0.752 399 L CB -0.186 41.918 42.059 0.075 0.000 0.896 399 L HN 0.245 nan 8.230 nan 0.000 0.433 400 L N -1.602 119.733 121.223 0.186 0.000 2.249 400 L HA 0.033 4.336 4.340 -0.062 0.000 0.207 400 L C 2.528 179.579 176.870 0.303 0.000 1.090 400 L CA 0.677 55.657 54.840 0.233 0.000 0.802 400 L CB -0.400 41.863 42.059 0.339 0.000 0.947 400 L HN 0.120 nan 8.230 nan 0.000 0.453 401 A N -1.058 121.965 122.820 0.338 0.000 2.081 401 A HA 0.090 4.373 4.320 -0.062 0.000 0.214 401 A C 1.083 178.790 177.584 0.205 0.000 1.158 401 A CA 0.511 52.736 52.037 0.313 0.000 0.724 401 A CB 0.131 19.330 19.000 0.332 0.000 0.826 401 A HN 0.014 nan 8.150 nan 0.000 0.463 402 K N 0.501 121.000 120.400 0.166 0.000 2.168 402 K HA 0.520 4.803 4.320 -0.062 0.000 0.239 402 K C -0.726 175.951 176.600 0.128 0.000 0.999 402 K CA -0.337 56.027 56.287 0.129 0.000 0.900 402 K CB 1.070 33.634 32.500 0.105 0.000 1.111 402 K HN 0.171 nan 8.250 nan 0.000 0.452 403 K N 0.374 120.844 120.400 0.117 0.000 2.166 403 K HA 0.343 4.625 4.320 -0.062 0.000 0.245 403 K C 0.025 176.709 176.600 0.140 0.000 0.967 403 K CA -0.575 55.785 56.287 0.122 0.000 0.863 403 K CB 1.563 34.123 32.500 0.100 0.000 1.107 403 K HN 0.385 nan 8.250 nan 0.000 0.436 404 S N 0.896 116.700 115.700 0.173 0.000 2.596 404 S HA 0.044 4.477 4.470 -0.062 0.000 0.260 404 S C -0.098 174.606 174.600 0.173 0.000 1.336 404 S CA -0.348 57.981 58.200 0.214 0.000 0.993 404 S CB 0.505 63.911 63.200 0.343 0.000 0.923 404 S HN 0.396 nan 8.310 nan 0.000 0.567 405 K N 1.035 121.545 120.400 0.184 0.000 2.174 405 K HA 0.312 4.595 4.320 -0.062 0.000 0.275 405 K C -0.840 175.857 176.600 0.163 0.000 1.015 405 K CA -0.558 55.825 56.287 0.159 0.000 0.933 405 K CB 0.443 33.048 32.500 0.176 0.000 1.025 405 K HN 0.379 nan 8.250 nan 0.000 0.463 406 L N 5.027 126.316 121.223 0.110 0.000 2.305 406 L HA 0.210 4.512 4.340 -0.062 0.000 0.281 406 L C 0.073 176.991 176.870 0.079 0.000 1.085 406 L CA -0.133 54.763 54.840 0.093 0.000 0.813 406 L CB 1.090 43.176 42.059 0.045 0.000 1.157 406 L HN 0.738 nan 8.230 nan 0.000 0.436 407 M N 5.282 124.946 119.600 0.107 0.000 2.250 407 M HA 0.073 4.515 4.480 -0.062 0.000 0.337 407 M C -0.633 175.680 176.300 0.021 0.000 1.161 407 M CA 0.784 56.132 55.300 0.080 0.000 1.088 407 M CB -0.102 32.557 32.600 0.099 0.000 1.639 407 M HN 0.799 nan 8.290 nan 0.000 0.447 408 N N 3.549 122.240 118.700 -0.015 0.000 2.537 408 N HA 0.134 4.837 4.740 -0.062 0.000 0.281 408 N C -0.177 175.300 175.510 -0.055 0.000 1.097 408 N CA -0.200 52.821 53.050 -0.048 0.000 0.964 408 N CB 1.064 39.496 38.487 -0.092 0.000 1.588 408 N HN 0.706 nan 8.380 nan 0.000 0.511 409 Q N 0.741 120.516 119.800 -0.042 0.000 2.308 409 Q HA -0.147 4.156 4.340 -0.062 0.000 0.209 409 Q C 0.034 176.015 176.000 -0.031 0.000 0.985 409 Q CA 1.720 57.500 55.803 -0.037 0.000 0.881 409 Q CB 0.284 29.002 28.738 -0.032 0.000 0.917 409 Q HN 0.570 nan 8.270 nan 0.000 0.443 410 D N -0.130 120.242 120.400 -0.047 0.000 2.324 410 D HA 0.031 4.634 4.640 -0.062 0.000 0.212 410 D C 0.015 176.277 176.300 -0.062 0.000 0.984 410 D CA 0.769 54.748 54.000 -0.035 0.000 0.885 410 D CB 0.341 41.119 40.800 -0.038 0.000 0.996 410 D HN 0.080 nan 8.370 nan 0.000 0.505 411 K N 0.647 120.923 120.400 -0.207 0.000 2.464 411 K HA 0.379 4.662 4.320 -0.062 0.000 0.252 411 K C 0.390 176.814 176.600 -0.293 0.000 1.000 411 K CA -0.111 55.823 56.287 -0.589 0.000 0.951 411 K CB 2.394 34.192 32.500 -1.170 0.000 1.183 411 K HN -0.091 nan 8.250 nan 0.000 0.445 412 M N 1.328 121.007 119.600 0.132 0.000 2.858 412 M HA 0.148 4.591 4.480 -0.062 0.000 0.255 412 M C -0.506 175.971 176.300 0.295 0.000 1.336 412 M CA 0.692 56.090 55.300 0.165 0.000 1.220 412 M CB 1.180 33.855 32.600 0.125 0.000 1.252 412 M HN 0.208 nan 8.290 nan 0.000 0.538 413 V N 0.188 120.355 119.914 0.423 0.000 2.686 413 V HA 0.266 4.349 4.120 -0.062 0.000 0.306 413 V C -0.303 175.976 176.094 0.308 0.000 1.065 413 V CA -0.932 61.592 62.300 0.372 0.000 0.894 413 V CB 1.660 33.690 31.823 0.345 0.000 1.004 413 V HN 0.261 nan 8.190 nan 0.000 0.424 414 T N 2.234 116.938 114.554 0.251 0.000 2.918 414 T HA 0.103 4.416 4.350 -0.062 0.000 0.302 414 T C 1.404 176.096 174.700 -0.012 0.000 1.045 414 T CA 0.490 62.616 62.100 0.045 0.000 1.114 414 T CB 1.072 70.029 68.868 0.148 0.000 0.965 414 T HN 0.759 nan 8.240 nan 0.000 0.540 415 S N 2.916 118.532 115.700 -0.140 0.000 2.419 415 S HA -0.093 4.340 4.470 -0.062 0.000 0.235 415 S C 1.940 176.567 174.600 0.046 0.000 1.019 415 S CA 0.788 58.949 58.200 -0.065 0.000 0.982 415 S CB -0.233 62.900 63.200 -0.112 0.000 0.789 415 S HN 0.723 nan 8.310 nan 0.000 0.490 416 E N 1.046 121.304 120.200 0.097 0.000 2.171 416 E HA -0.108 4.205 4.350 -0.062 0.000 0.197 416 E C 1.778 178.574 176.600 0.327 0.000 0.997 416 E CA 0.941 57.472 56.400 0.218 0.000 0.810 416 E CB -0.239 29.586 29.700 0.209 0.000 0.738 416 E HN 0.500 nan 8.360 nan 0.000 0.467 417 L N -0.855 120.506 121.223 0.229 0.000 2.470 417 L HA 0.161 4.464 4.340 -0.062 0.000 0.219 417 L C 2.439 179.381 176.870 0.120 0.000 1.071 417 L CA 0.075 55.024 54.840 0.182 0.000 0.850 417 L CB 0.060 42.186 42.059 0.112 0.000 1.040 417 L HN -0.088 nan 8.230 nan 0.000 0.475 418 R N -0.198 120.367 120.500 0.107 0.000 2.246 418 R HA 0.038 4.341 4.340 -0.062 0.000 0.199 418 R C 1.196 177.537 176.300 0.068 0.000 0.984 418 R CA 0.605 56.759 56.100 0.090 0.000 1.015 418 R CB 0.331 30.678 30.300 0.079 0.000 0.930 418 R HN 0.325 nan 8.270 nan 0.000 0.475 419 N N -0.952 117.787 118.700 0.065 0.000 2.272 419 N HA 0.055 4.757 4.740 -0.062 0.000 0.228 419 N C 0.014 175.563 175.510 0.066 0.000 1.206 419 N CA 0.321 53.389 53.050 0.031 0.000 0.855 419 N CB 0.881 39.355 38.487 -0.021 0.000 1.248 419 N HN -0.022 nan 8.380 nan 0.000 0.476 420 K N 0.897 121.381 120.400 0.140 0.000 2.564 420 K HA 0.232 4.514 4.320 -0.062 0.000 0.205 420 K C -0.067 176.820 176.600 0.478 0.000 1.053 420 K CA -0.403 56.012 56.287 0.214 0.000 1.072 420 K CB 0.934 33.442 32.500 0.013 0.000 0.822 420 K HN -0.017 nan 8.250 nan 0.000 0.497 421 L N 1.320 122.751 121.223 0.345 0.000 2.416 421 L HA 0.229 4.532 4.340 -0.062 0.000 0.272 421 L C -0.441 176.627 176.870 0.330 0.000 1.161 421 L CA -0.091 54.864 54.840 0.192 0.000 0.845 421 L CB 0.115 42.159 42.059 -0.025 0.000 1.119 421 L HN 0.043 nan 8.230 nan 0.000 0.464 422 F N 4.902 124.919 119.950 0.111 0.000 2.415 422 F HA 0.410 4.900 4.527 -0.062 0.000 0.348 422 F C -0.115 175.675 175.800 -0.016 0.000 1.119 422 F CA -0.322 57.729 58.000 0.085 0.000 1.069 422 F CB 0.705 39.731 39.000 0.043 0.000 1.124 422 F HN 0.466 nan 8.300 nan 0.000 0.472 423 Q N 8.076 127.491 119.800 -0.641 0.000 2.271 423 Q HA 0.247 4.550 4.340 -0.062 0.000 0.258 423 Q C -1.835 173.750 176.000 -0.692 0.000 0.936 423 Q CA -1.891 53.528 55.803 -0.639 0.000 0.909 423 Q CB 1.997 30.036 28.738 -1.165 0.000 1.253 423 Q HN 0.471 nan 8.270 nan 0.000 0.440 424 P HA -0.108 nan 4.420 nan 0.000 0.229 424 P C 0.510 177.555 177.300 -0.425 0.000 1.150 424 P CA 1.140 63.893 63.100 -0.578 0.000 0.765 424 P CB 0.437 31.835 31.700 -0.503 0.000 0.783 425 T N -3.009 111.325 114.554 -0.367 0.000 2.990 425 T HA 0.100 4.413 4.350 -0.062 0.000 0.249 425 T C 0.414 174.764 174.700 -0.584 0.000 1.039 425 T CA 0.365 62.224 62.100 -0.402 0.000 1.036 425 T CB -0.097 68.579 68.868 -0.320 0.000 0.994 425 T HN 0.270 nan 8.240 nan 0.000 0.489 426 H N -0.001 118.818 119.070 -0.418 0.000 2.754 426 H HA 0.592 5.111 4.556 -0.062 0.000 0.352 426 H C 0.738 175.768 175.328 -0.497 0.000 1.213 426 H CA -0.850 55.025 56.048 -0.289 0.000 1.244 426 H CB 1.293 31.067 29.762 0.019 0.000 1.843 426 H HN -0.161 nan 8.280 nan 0.000 0.587 427 K N 0.116 120.430 120.400 -0.144 0.000 2.242 427 K HA 0.188 4.471 4.320 -0.062 0.000 0.200 427 K C 0.189 176.923 176.600 0.223 0.000 1.050 427 K CA 0.376 56.608 56.287 -0.093 0.000 0.981 427 K CB 0.341 32.931 32.500 0.150 0.000 0.795 427 K HN 0.470 nan 8.250 nan 0.000 0.477 428 I N -0.730 119.918 120.570 0.130 0.000 2.499 428 I HA 0.230 4.363 4.170 -0.062 0.000 0.296 428 I C -0.646 175.614 176.117 0.239 0.000 0.992 428 I CA -0.896 60.545 61.300 0.234 0.000 1.297 428 I CB 0.898 38.958 38.000 0.099 0.000 1.410 428 I HN -0.042 nan 8.210 nan 0.000 0.507 429 H N 4.193 123.527 119.070 0.441 0.000 3.157 429 H HA 0.505 5.024 4.556 -0.062 0.000 0.260 429 H C 0.701 176.155 175.328 0.210 0.000 1.232 429 H CA 0.203 56.524 56.048 0.455 0.000 1.488 429 H CB 0.511 30.559 29.762 0.477 0.000 1.548 429 H HN 0.941 nan 8.280 nan 0.000 0.487 430 G N 2.708 111.629 108.800 0.202 0.000 5.540 430 G HA2 0.065 3.988 3.960 -0.062 0.000 0.197 430 G HA3 0.065 3.988 3.960 -0.062 0.000 0.197 430 G C -0.749 174.062 174.900 -0.148 0.000 0.747 430 G CA -0.318 44.782 45.100 -0.001 0.000 0.706 430 G HN 0.309 nan 8.290 nan 0.000 0.292 431 F N 0.620 120.591 119.950 0.034 0.000 2.483 431 F HA 0.594 5.084 4.527 -0.061 0.000 0.329 431 F C -0.245 175.567 175.800 0.019 0.000 1.064 431 F CA -0.869 57.133 58.000 0.003 0.000 0.986 431 F CB 2.166 41.127 39.000 -0.064 0.000 1.218 431 F HN -0.053 nan 8.300 nan 0.000 0.484 432 D N 2.586 123.128 120.400 0.237 0.000 2.460 432 D HA 0.131 4.734 4.640 -0.062 0.000 0.232 432 D C 0.758 177.120 176.300 0.104 0.000 1.079 432 D CA -0.321 53.765 54.000 0.143 0.000 0.864 432 D CB 1.183 42.056 40.800 0.122 0.000 1.048 432 D HN 0.409 nan 8.370 nan 0.000 0.523 433 L N 4.729 125.980 121.223 0.047 0.000 2.081 433 L HA -0.116 4.187 4.340 -0.062 0.000 0.212 433 L C 1.878 178.716 176.870 -0.053 0.000 1.080 433 L CA 2.352 57.170 54.840 -0.037 0.000 0.754 433 L CB -0.738 41.232 42.059 -0.148 0.000 0.893 433 L HN 0.483 nan 8.230 nan 0.000 0.433 434 A N -0.544 122.298 122.820 0.036 0.000 1.835 434 A HA -0.081 4.202 4.320 -0.062 0.000 0.215 434 A C 2.489 180.067 177.584 -0.010 0.000 1.199 434 A CA 2.115 54.193 52.037 0.067 0.000 0.615 434 A CB -1.428 17.756 19.000 0.307 0.000 0.838 434 A HN 0.546 nan 8.150 nan 0.000 0.444 435 A N -0.138 122.723 122.820 0.068 0.000 1.915 435 A HA -0.230 4.053 4.320 -0.062 0.000 0.220 435 A C 2.152 179.723 177.584 -0.021 0.000 1.198 435 A CA 1.970 54.028 52.037 0.035 0.000 0.647 435 A CB -0.863 18.167 19.000 0.051 0.000 0.825 435 A HN 0.534 nan 8.150 nan 0.000 0.456 436 I N -0.180 120.406 120.570 0.026 0.000 2.069 436 I HA -0.365 3.768 4.170 -0.062 0.000 0.237 436 I C 2.401 178.564 176.117 0.076 0.000 1.053 436 I CA 2.026 63.399 61.300 0.122 0.000 1.311 436 I CB -0.605 37.494 38.000 0.166 0.000 1.030 436 I HN 0.475 nan 8.210 nan 0.000 0.398 437 N N 0.425 119.059 118.700 -0.110 0.000 2.091 437 N HA -0.224 4.478 4.740 -0.062 0.000 0.193 437 N C 1.946 177.353 175.510 -0.172 0.000 1.021 437 N CA 1.239 54.129 53.050 -0.267 0.000 0.862 437 N CB -0.193 37.694 38.487 -0.999 0.000 1.018 437 N HN 0.299 nan 8.380 nan 0.000 0.429 438 L N 0.622 121.771 121.223 -0.123 0.000 2.056 438 L HA -0.189 4.114 4.340 -0.062 0.000 0.207 438 L C 2.600 179.471 176.870 0.002 0.000 1.078 438 L CA 1.031 55.885 54.840 0.024 0.000 0.749 438 L CB -0.348 41.787 42.059 0.128 0.000 0.901 438 L HN 0.172 nan 8.230 nan 0.000 0.433 439 Q N 0.225 119.971 119.800 -0.089 0.000 2.226 439 Q HA -0.229 4.074 4.340 -0.062 0.000 0.204 439 Q C 2.153 178.180 176.000 0.046 0.000 0.975 439 Q CA 1.414 57.082 55.803 -0.226 0.000 0.866 439 Q CB -0.034 28.181 28.738 -0.872 0.000 0.915 439 Q HN 0.125 nan 8.270 nan 0.000 0.440 440 R N -1.357 119.278 120.500 0.225 0.000 2.193 440 R HA 0.049 4.352 4.340 -0.062 0.000 0.213 440 R C 1.896 178.347 176.300 0.252 0.000 1.055 440 R CA 1.053 57.466 56.100 0.521 0.000 0.995 440 R CB -0.717 29.957 30.300 0.623 0.000 0.893 440 R HN 0.363 nan 8.270 nan 0.000 0.459 441 C N -0.262 118.920 119.300 -0.196 0.000 2.446 441 C HA 0.025 4.447 4.460 -0.062 0.000 0.277 441 C C 2.430 177.371 174.990 -0.083 0.000 1.275 441 C CA 0.783 59.449 59.018 -0.586 0.000 1.727 441 C CB -0.687 26.824 27.740 -0.381 0.000 2.010 441 C HN 0.505 nan 8.230 nan 0.000 0.486 442 R N 0.547 121.110 120.500 0.105 0.000 2.075 442 R HA -0.120 4.182 4.340 -0.062 0.000 0.232 442 R C 1.910 178.367 176.300 0.261 0.000 1.126 442 R CA 1.718 57.954 56.100 0.226 0.000 0.963 442 R CB -0.459 30.030 30.300 0.314 0.000 0.858 442 R HN 0.501 nan 8.270 nan 0.000 0.435 443 D N 0.160 120.770 120.400 0.350 0.000 2.149 443 D HA -0.184 4.419 4.640 -0.062 0.000 0.198 443 D C 1.216 177.736 176.300 0.367 0.000 0.990 443 D CA 1.338 55.554 54.000 0.361 0.000 0.839 443 D CB -0.050 41.118 40.800 0.614 0.000 0.948 443 D HN 0.370 nan 8.370 nan 0.000 0.460 444 H N -1.144 118.085 119.070 0.266 0.000 2.533 444 H HA 0.224 4.743 4.556 -0.062 0.000 0.271 444 H C 1.085 176.427 175.328 0.023 0.000 1.000 444 H CA 0.375 56.574 56.048 0.252 0.000 1.149 444 H CB 0.169 30.187 29.762 0.426 0.000 1.375 444 H HN 0.280 nan 8.280 nan 0.000 0.582 445 G N 1.783 110.521 108.800 -0.103 0.000 2.283 445 G HA2 -0.296 3.627 3.960 -0.062 0.000 0.280 445 G HA3 -0.296 3.627 3.960 -0.062 0.000 0.280 445 G C 0.414 175.200 174.900 -0.189 0.000 1.029 445 G CA -0.027 44.720 45.100 -0.588 0.000 0.840 445 G HN 0.179 nan 8.290 nan 0.000 0.505 446 M N -0.005 119.596 119.600 0.001 0.000 2.248 446 M HA 0.158 4.601 4.480 -0.062 0.000 0.345 446 M C -1.596 174.777 176.300 0.122 0.000 1.243 446 M CA -1.663 53.703 55.300 0.110 0.000 1.090 446 M CB -0.318 32.302 32.600 0.034 0.000 1.683 446 M HN -0.043 nan 8.290 nan 0.000 0.450 447 P HA 0.089 nan 4.420 nan 0.000 0.268 447 P C 0.334 177.705 177.300 0.118 0.000 1.208 447 P CA 0.015 63.116 63.100 0.001 0.000 0.777 447 P CB 0.424 31.916 31.700 -0.347 0.000 0.875 448 G N 0.264 109.077 108.800 0.022 0.000 2.570 448 G HA2 -0.042 3.881 3.960 -0.062 0.000 0.276 448 G HA3 -0.042 3.881 3.960 -0.062 0.000 0.276 448 G C 0.308 175.327 174.900 0.198 0.000 1.346 448 G CA -0.140 45.017 45.100 0.094 0.000 1.034 448 G HN 0.513 nan 8.290 nan 0.000 0.512 449 Y N -0.172 120.169 120.300 0.068 0.000 2.200 449 Y HA -0.114 4.399 4.550 -0.062 0.000 0.290 449 Y C 2.593 178.555 175.900 0.104 0.000 1.137 449 Y CA 2.100 60.270 58.100 0.116 0.000 1.163 449 Y CB 0.067 38.526 38.460 -0.002 0.000 0.988 449 Y HN 0.369 nan 8.280 nan 0.000 0.518 450 N N -0.242 118.480 118.700 0.037 0.000 2.309 450 N HA -0.135 4.568 4.740 -0.062 0.000 0.182 450 N C 1.892 177.341 175.510 -0.102 0.000 1.018 450 N CA 1.318 54.330 53.050 -0.064 0.000 0.876 450 N CB -0.277 38.223 38.487 0.021 0.000 0.972 450 N HN 0.312 nan 8.380 nan 0.000 0.434 451 S N -0.373 115.239 115.700 -0.147 0.000 2.382 451 S HA -0.086 4.347 4.470 -0.062 0.000 0.228 451 S C 1.548 175.955 174.600 -0.322 0.000 1.027 451 S CA 0.786 58.813 58.200 -0.289 0.000 0.991 451 S CB -0.231 62.678 63.200 -0.483 0.000 0.823 451 S HN 0.512 nan 8.310 nan 0.000 0.469 452 W N 1.621 122.893 121.300 -0.046 0.000 2.476 452 W HA 0.132 4.756 4.660 -0.060 0.000 0.281 452 W C 2.453 178.963 176.519 -0.015 0.000 1.230 452 W CA -0.290 57.049 57.345 -0.010 0.000 1.287 452 W CB -0.021 29.409 29.460 -0.050 0.000 1.108 452 W HN 0.056 nan 8.180 nan 0.000 0.567 453 R N 0.145 120.639 120.500 -0.009 0.000 2.081 453 R HA -0.064 4.239 4.340 -0.062 0.000 0.235 453 R C 2.331 178.657 176.300 0.043 0.000 1.131 453 R CA 1.496 57.564 56.100 -0.053 0.000 0.960 453 R CB -1.506 28.672 30.300 -0.203 0.000 0.856 453 R HN 0.336 nan 8.270 nan 0.000 0.436 454 G N 0.731 109.548 108.800 0.028 0.000 2.459 454 G HA2 -0.307 3.616 3.960 -0.062 0.000 0.217 454 G HA3 -0.307 3.616 3.960 -0.062 0.000 0.217 454 G C 1.362 176.322 174.900 0.099 0.000 1.183 454 G CA 0.523 45.646 45.100 0.037 0.000 0.776 454 G HN 0.298 nan 8.290 nan 0.000 0.552 455 F N 1.109 121.055 119.950 -0.006 0.000 2.120 455 F HA -0.134 4.355 4.527 -0.063 0.000 0.300 455 F C 2.041 177.908 175.800 0.112 0.000 1.095 455 F CA 1.219 59.252 58.000 0.057 0.000 1.249 455 F CB -0.178 38.909 39.000 0.144 0.000 0.995 455 F HN 0.147 nan 8.300 nan 0.000 0.480 456 c N 1.179 119.907 118.600 0.214 0.000 2.559 456 c HA 0.412 4.945 4.570 -0.062 0.000 0.300 456 c C 1.615 175.765 174.090 0.101 0.000 1.288 456 c CA 0.407 56.810 56.329 0.124 0.000 1.699 456 c CB -1.552 41.086 42.510 0.213 0.000 1.819 456 c HN 0.864 nan 8.230 nan 0.000 0.600 457 G N 1.366 110.191 108.800 0.040 0.000 2.305 457 G HA2 -0.255 3.668 3.960 -0.062 0.000 0.287 457 G HA3 -0.255 3.668 3.960 -0.062 0.000 0.287 457 G C -0.209 174.716 174.900 0.042 0.000 1.036 457 G CA 0.235 45.351 45.100 0.026 0.000 0.887 457 G HN 0.576 nan 8.290 nan 0.000 0.505 458 L N 0.370 121.622 121.223 0.048 0.000 2.330 458 L HA 0.647 4.950 4.340 -0.062 0.000 0.271 458 L C 1.325 178.206 176.870 0.018 0.000 1.013 458 L CA -0.600 54.263 54.840 0.039 0.000 0.816 458 L CB 1.818 43.903 42.059 0.044 0.000 1.287 458 L HN 0.386 nan 8.230 nan 0.000 0.435 459 S N 1.144 116.856 115.700 0.021 0.000 2.559 459 S HA 0.026 4.459 4.470 -0.062 0.000 0.282 459 S C -0.318 174.292 174.600 0.016 0.000 1.336 459 S CA -0.283 57.929 58.200 0.019 0.000 1.037 459 S CB 0.308 63.525 63.200 0.028 0.000 0.853 459 S HN 0.628 nan 8.310 nan 0.000 0.523 460 Q N 2.348 122.160 119.800 0.020 0.000 2.454 460 Q HA 0.382 4.685 4.340 -0.062 0.000 0.255 460 Q C -2.445 173.586 176.000 0.051 0.000 1.034 460 Q CA -1.893 53.926 55.803 0.027 0.000 0.736 460 Q CB 1.530 30.274 28.738 0.010 0.000 1.210 460 Q HN 0.607 nan 8.270 nan 0.000 0.500 461 P HA 0.024 nan 4.420 nan 0.000 0.268 461 P C -0.316 177.024 177.300 0.066 0.000 1.205 461 P CA -0.172 62.971 63.100 0.072 0.000 0.771 461 P CB 1.177 32.931 31.700 0.090 0.000 0.858 462 K N 0.365 120.794 120.400 0.048 0.000 2.438 462 K HA 0.179 4.462 4.320 -0.062 0.000 0.206 462 K C 0.592 177.214 176.600 0.036 0.000 1.081 462 K CA 0.283 56.598 56.287 0.046 0.000 1.053 462 K CB 0.695 33.221 32.500 0.043 0.000 0.908 462 K HN 0.634 nan 8.250 nan 0.000 0.556 463 T N -3.026 111.545 114.554 0.029 0.000 2.864 463 T HA 0.344 4.657 4.350 -0.062 0.000 0.299 463 T C 1.016 175.722 174.700 0.010 0.000 1.166 463 T CA -0.838 61.273 62.100 0.018 0.000 1.007 463 T CB 1.573 70.453 68.868 0.019 0.000 1.219 463 T HN -0.106 nan 8.240 nan 0.000 0.506 464 L N 0.518 121.742 121.223 0.001 0.000 2.021 464 L HA -0.158 4.145 4.340 -0.062 0.000 0.215 464 L C 2.544 179.415 176.870 0.002 0.000 1.074 464 L CA 1.716 56.553 54.840 -0.004 0.000 0.760 464 L CB -0.306 41.749 42.059 -0.006 0.000 0.889 464 L HN 0.693 nan 8.230 nan 0.000 0.433 465 K N -0.145 120.258 120.400 0.006 0.000 2.057 465 K HA -0.124 4.159 4.320 -0.062 0.000 0.207 465 K C 1.931 178.539 176.600 0.013 0.000 1.049 465 K CA 1.304 57.596 56.287 0.008 0.000 0.931 465 K CB -0.810 31.695 32.500 0.009 0.000 0.714 465 K HN 0.518 nan 8.250 nan 0.000 0.440 466 G N 1.488 110.299 108.800 0.018 0.000 2.476 466 G HA2 -0.266 3.657 3.960 -0.062 0.000 0.218 466 G HA3 -0.266 3.657 3.960 -0.062 0.000 0.218 466 G C 1.552 176.470 174.900 0.030 0.000 1.164 466 G CA 0.848 45.964 45.100 0.027 0.000 0.768 466 G HN 0.270 nan 8.290 nan 0.000 0.560 467 L N 0.560 121.795 121.223 0.021 0.000 2.093 467 L HA -0.005 4.298 4.340 -0.062 0.000 0.208 467 L C 3.025 179.897 176.870 0.003 0.000 1.085 467 L CA 1.779 56.626 54.840 0.012 0.000 0.755 467 L CB -0.504 41.546 42.059 -0.015 0.000 0.904 467 L HN 0.376 nan 8.230 nan 0.000 0.435 468 Q N -1.556 118.245 119.800 0.001 0.000 2.124 468 Q HA -0.173 4.130 4.340 -0.062 0.000 0.202 468 Q C 1.903 177.907 176.000 0.006 0.000 0.977 468 Q CA 2.001 57.803 55.803 -0.001 0.000 0.850 468 Q CB -0.493 28.245 28.738 -0.000 0.000 0.901 468 Q HN 0.509 nan 8.270 nan 0.000 0.429 469 T N 0.852 115.414 114.554 0.014 0.000 2.770 469 T HA -0.081 4.232 4.350 -0.062 0.000 0.263 469 T C 2.141 176.855 174.700 0.024 0.000 1.039 469 T CA 1.057 63.167 62.100 0.017 0.000 1.142 469 T CB -0.231 68.649 68.868 0.019 0.000 0.868 469 T HN 0.024 nan 8.240 nan 0.000 0.435 470 V N 1.482 121.418 119.914 0.037 0.000 2.223 470 V HA -0.102 3.980 4.120 -0.062 0.000 0.244 470 V C 2.415 178.533 176.094 0.039 0.000 1.045 470 V CA 1.425 63.758 62.300 0.054 0.000 1.000 470 V CB -0.617 31.263 31.823 0.095 0.000 0.635 470 V HN 0.306 nan 8.190 nan 0.000 0.445 471 L N -0.412 120.824 121.223 0.021 0.000 2.353 471 L HA -0.030 4.273 4.340 -0.062 0.000 0.220 471 L C 1.408 178.277 176.870 -0.003 0.000 1.133 471 L CA 1.206 56.045 54.840 -0.001 0.000 0.798 471 L CB -1.273 40.767 42.059 -0.032 0.000 0.922 471 L HN 0.442 nan 8.230 nan 0.000 0.445 472 K N 0.442 120.843 120.400 0.003 0.000 3.096 472 K HA -0.224 4.059 4.320 -0.062 0.000 0.266 472 K C -0.049 176.548 176.600 -0.005 0.000 1.043 472 K CA 0.589 56.876 56.287 0.001 0.000 0.758 472 K CB -1.418 31.083 32.500 0.003 0.000 1.260 472 K HN 0.366 nan 8.250 nan 0.000 0.481 473 N N 0.212 118.908 118.700 -0.008 0.000 2.752 473 N HA 0.144 4.847 4.740 -0.062 0.000 0.268 473 N C 0.118 175.622 175.510 -0.010 0.000 1.190 473 N CA -0.510 52.534 53.050 -0.010 0.000 0.897 473 N CB 1.211 39.688 38.487 -0.015 0.000 1.515 473 N HN -0.009 nan 8.380 nan 0.000 0.567 474 K N 2.164 122.560 120.400 -0.007 0.000 1.985 474 K HA 0.046 4.329 4.320 -0.062 0.000 0.210 474 K C 1.639 178.235 176.600 -0.007 0.000 1.047 474 K CA 1.489 57.772 56.287 -0.006 0.000 0.932 474 K CB 0.093 32.591 32.500 -0.003 0.000 0.716 474 K HN 0.527 nan 8.250 nan 0.000 0.439 475 I N 0.858 121.425 120.570 -0.005 0.000 2.069 475 I HA -0.341 3.792 4.170 -0.062 0.000 0.237 475 I C 2.336 178.450 176.117 -0.005 0.000 1.053 475 I CA 1.011 62.309 61.300 -0.003 0.000 1.311 475 I CB -0.399 37.601 38.000 0.000 0.000 1.030 475 I HN 0.163 nan 8.210 nan 0.000 0.398 476 L N 1.291 122.509 121.223 -0.009 0.000 2.013 476 L HA -0.231 4.072 4.340 -0.062 0.000 0.212 476 L C 2.528 179.385 176.870 -0.022 0.000 1.073 476 L CA 2.297 57.128 54.840 -0.014 0.000 0.753 476 L CB -0.929 41.115 42.059 -0.025 0.000 0.890 476 L HN 0.256 nan 8.230 nan 0.000 0.432 477 A N -0.115 122.689 122.820 -0.026 0.000 2.024 477 A HA -0.254 4.029 4.320 -0.062 0.000 0.220 477 A C 2.272 179.843 177.584 -0.020 0.000 1.164 477 A CA 2.044 54.062 52.037 -0.032 0.000 0.643 477 A CB -0.693 18.291 19.000 -0.027 0.000 0.806 477 A HN 0.717 nan 8.150 nan 0.000 0.451 478 K N -0.418 119.976 120.400 -0.011 0.000 2.243 478 K HA 0.010 4.293 4.320 -0.062 0.000 0.201 478 K C 1.630 178.229 176.600 -0.002 0.000 1.051 478 K CA 1.076 57.358 56.287 -0.008 0.000 0.970 478 K CB -0.184 32.312 32.500 -0.007 0.000 0.755 478 K HN 0.349 nan 8.250 nan 0.000 0.465 479 K N 0.585 120.988 120.400 0.005 0.000 2.057 479 K HA -0.064 4.218 4.320 -0.062 0.000 0.206 479 K C 2.009 178.634 176.600 0.041 0.000 1.050 479 K CA 0.908 57.205 56.287 0.017 0.000 0.935 479 K CB -0.148 32.365 32.500 0.022 0.000 0.715 479 K HN 0.008 nan 8.250 nan 0.000 0.439 480 L N 0.880 122.131 121.223 0.048 0.000 2.083 480 L HA -0.117 4.186 4.340 -0.062 0.000 0.209 480 L C 2.264 179.215 176.870 0.135 0.000 1.083 480 L CA 1.636 56.546 54.840 0.117 0.000 0.752 480 L CB -0.541 41.514 42.059 -0.006 0.000 0.899 480 L HN 0.245 nan 8.230 nan 0.000 0.433 481 M N -1.268 118.352 119.600 0.034 0.000 2.200 481 M HA -0.111 4.331 4.480 -0.062 0.000 0.265 481 M C 1.755 178.033 176.300 -0.036 0.000 1.066 481 M CA 1.064 56.360 55.300 -0.006 0.000 1.127 481 M CB -1.007 31.574 32.600 -0.032 0.000 1.379 481 M HN 0.182 nan 8.290 nan 0.000 0.420 482 D N 0.596 120.981 120.400 -0.025 0.000 2.144 482 D HA -0.082 4.521 4.640 -0.062 0.000 0.199 482 D C 2.229 178.491 176.300 -0.064 0.000 0.984 482 D CA 1.105 55.078 54.000 -0.045 0.000 0.834 482 D CB -0.068 40.716 40.800 -0.027 0.000 0.955 482 D HN 0.319 nan 8.370 nan 0.000 0.465 483 L N -1.144 120.051 121.223 -0.047 0.000 2.162 483 L HA -0.083 4.220 4.340 -0.062 0.000 0.205 483 L C 1.897 178.624 176.870 -0.238 0.000 1.086 483 L CA 0.763 55.516 54.840 -0.146 0.000 0.778 483 L CB -0.021 41.937 42.059 -0.168 0.000 0.928 483 L HN 0.042 nan 8.230 nan 0.000 0.446 484 Y N -1.357 118.891 120.300 -0.088 0.000 2.522 484 Y HA 0.040 4.553 4.550 -0.062 0.000 0.277 484 Y C 1.207 176.989 175.900 -0.196 0.000 1.104 484 Y CA -0.302 57.744 58.100 -0.091 0.000 1.260 484 Y CB 0.583 39.003 38.460 -0.067 0.000 1.151 484 Y HN -0.098 nan 8.280 nan 0.000 0.539 485 K N -0.202 120.117 120.400 -0.136 0.000 3.584 485 K HA -0.209 4.074 4.320 -0.062 0.000 0.300 485 K C 0.056 176.390 176.600 -0.445 0.000 1.285 485 K CA 1.443 57.445 56.287 -0.475 0.000 1.008 485 K CB -1.933 29.891 32.500 -1.126 0.000 1.271 485 K HN 0.388 nan 8.250 nan 0.000 0.447 486 T N -1.175 113.297 114.554 -0.137 0.000 3.159 486 T HA 0.443 4.756 4.350 -0.062 0.000 0.343 486 T C -2.563 172.150 174.700 0.022 0.000 1.364 486 T CA -1.055 61.038 62.100 -0.013 0.000 1.102 486 T CB 2.002 70.940 68.868 0.117 0.000 1.263 486 T HN -0.277 nan 8.240 nan 0.000 0.477 487 P HA -0.013 nan 4.420 nan 0.000 0.218 487 P C 0.901 178.237 177.300 0.060 0.000 1.148 487 P CA 0.844 63.950 63.100 0.009 0.000 0.822 487 P CB 0.156 31.896 31.700 0.067 0.000 0.784 488 D N -1.044 119.401 120.400 0.075 0.000 2.265 488 D HA -0.135 4.467 4.640 -0.062 0.000 0.208 488 D C 1.245 177.570 176.300 0.041 0.000 0.977 488 D CA 1.029 55.069 54.000 0.066 0.000 0.871 488 D CB -0.655 40.179 40.800 0.057 0.000 0.925 488 D HN 0.172 nan 8.370 nan 0.000 0.485 489 N N -0.071 118.658 118.700 0.049 0.000 2.353 489 N HA 0.096 4.799 4.740 -0.062 0.000 0.185 489 N C 0.259 175.771 175.510 0.004 0.000 1.098 489 N CA -0.084 53.008 53.050 0.071 0.000 0.872 489 N CB 0.387 38.990 38.487 0.194 0.000 0.970 489 N HN 0.246 nan 8.380 nan 0.000 0.467 490 I N 2.132 122.524 120.570 -0.296 0.000 2.664 490 I HA -0.079 4.054 4.170 -0.062 0.000 0.284 490 I C 0.127 176.069 176.117 -0.292 0.000 1.154 490 I CA 0.172 60.993 61.300 -0.798 0.000 1.402 490 I CB 0.162 37.708 38.000 -0.756 0.000 1.395 490 I HN -0.089 nan 8.210 nan 0.000 0.545 491 D N 6.326 126.617 120.400 -0.182 0.000 2.493 491 D HA -0.081 4.522 4.640 -0.062 0.000 0.240 491 D C 1.183 177.533 176.300 0.083 0.000 1.142 491 D CA 0.023 54.065 54.000 0.070 0.000 0.872 491 D CB 1.523 42.442 40.800 0.199 0.000 1.173 491 D HN 0.467 nan 8.370 nan 0.000 0.467 492 I N 2.937 123.585 120.570 0.131 0.000 2.194 492 I HA -0.240 3.893 4.170 -0.062 0.000 0.246 492 I C 1.899 178.113 176.117 0.161 0.000 1.093 492 I CA 1.333 62.731 61.300 0.164 0.000 1.355 492 I CB -0.291 37.749 38.000 0.067 0.000 1.046 492 I HN 0.638 nan 8.210 nan 0.000 0.413 493 W N 0.728 122.023 121.300 -0.008 0.000 2.338 493 W HA -0.221 4.401 4.660 -0.063 0.000 0.304 493 W C 2.367 178.923 176.519 0.063 0.000 1.212 493 W CA 2.097 59.472 57.345 0.050 0.000 1.264 493 W CB -0.251 29.254 29.460 0.075 0.000 1.142 493 W HN 0.195 nan 8.180 nan 0.000 0.512 494 I N -0.164 120.403 120.570 -0.005 0.000 3.035 494 I HA 0.037 4.170 4.170 -0.062 0.000 0.271 494 I C 2.233 178.206 176.117 -0.241 0.000 1.190 494 I CA 1.194 62.340 61.300 -0.256 0.000 1.472 494 I CB -0.921 37.063 38.000 -0.026 0.000 1.116 494 I HN 0.097 nan 8.210 nan 0.000 0.443 495 G N 0.569 109.254 108.800 -0.191 0.000 2.433 495 G HA2 -0.240 3.683 3.960 -0.062 0.000 0.216 495 G HA3 -0.240 3.683 3.960 -0.062 0.000 0.216 495 G C 1.588 176.470 174.900 -0.029 0.000 1.186 495 G CA 0.790 45.688 45.100 -0.336 0.000 0.779 495 G HN 0.479 nan 8.290 nan 0.000 0.543 496 G N 0.650 109.506 108.800 0.092 0.000 2.418 496 G HA2 -0.217 3.706 3.960 -0.062 0.000 0.217 496 G HA3 -0.217 3.706 3.960 -0.062 0.000 0.217 496 G C 1.682 176.556 174.900 -0.043 0.000 1.158 496 G CA 1.130 46.274 45.100 0.074 0.000 0.771 496 G HN 0.538 nan 8.290 nan 0.000 0.545 497 N N 0.439 119.033 118.700 -0.177 0.000 2.446 497 N HA 0.191 4.894 4.740 -0.062 0.000 0.179 497 N C 2.140 177.559 175.510 -0.153 0.000 1.054 497 N CA 0.567 53.497 53.050 -0.201 0.000 0.905 497 N CB 0.019 38.267 38.487 -0.398 0.000 0.973 497 N HN 0.314 nan 8.380 nan 0.000 0.448 498 A N 0.632 123.356 122.820 -0.159 0.000 2.168 498 A HA -0.012 4.271 4.320 -0.062 0.000 0.215 498 A C 0.546 178.088 177.584 -0.070 0.000 1.152 498 A CA 0.493 52.456 52.037 -0.124 0.000 0.716 498 A CB -0.045 18.858 19.000 -0.163 0.000 0.794 498 A HN 0.262 nan 8.150 nan 0.000 0.465 499 E N 0.794 120.974 120.200 -0.034 0.000 2.366 499 E HA 0.285 4.598 4.350 -0.062 0.000 0.266 499 E C -2.387 174.208 176.600 -0.007 0.000 1.051 499 E CA -2.030 54.373 56.400 0.004 0.000 0.884 499 E CB 0.294 30.026 29.700 0.052 0.000 1.006 499 E HN 0.204 nan 8.360 nan 0.000 0.417 500 P HA -0.024 nan 4.420 nan 0.000 0.271 500 P C -0.575 176.721 177.300 -0.006 0.000 1.244 500 P CA 0.187 63.283 63.100 -0.006 0.000 0.793 500 P CB 0.512 32.212 31.700 -0.001 0.000 0.984 501 M N 0.496 120.090 119.600 -0.010 0.000 2.250 501 M HA 0.205 4.648 4.480 -0.062 0.000 0.344 501 M C 0.332 176.625 176.300 -0.011 0.000 1.150 501 M CA -0.755 54.535 55.300 -0.016 0.000 1.147 501 M CB 0.835 33.424 32.600 -0.017 0.000 1.498 501 M HN 0.127 nan 8.290 nan 0.000 0.461 502 V N -0.126 119.781 119.914 -0.012 0.000 3.319 502 V HA 0.229 4.312 4.120 -0.062 0.000 0.303 502 V C 0.120 176.207 176.094 -0.012 0.000 1.094 502 V CA -0.781 61.517 62.300 -0.002 0.000 1.106 502 V CB 0.534 32.364 31.823 0.011 0.000 1.099 502 V HN 0.889 nan 8.190 nan 0.000 0.476 503 E N 1.757 121.951 120.200 -0.009 0.000 2.366 503 E HA 0.167 4.480 4.350 -0.062 0.000 0.266 503 E C 0.374 176.958 176.600 -0.026 0.000 1.015 503 E CA 0.045 56.435 56.400 -0.017 0.000 0.906 503 E CB 0.090 29.782 29.700 -0.013 0.000 0.979 503 E HN 0.698 nan 8.360 nan 0.000 0.443 504 R N 1.011 121.489 120.500 -0.036 0.000 3.994 504 R HA -0.164 4.139 4.340 -0.062 0.000 0.403 504 R C 0.213 176.475 176.300 -0.063 0.000 1.126 504 R CA 1.011 57.080 56.100 -0.051 0.000 1.143 504 R CB -2.188 28.084 30.300 -0.048 0.000 1.695 504 R HN 0.662 nan 8.270 nan 0.000 0.555 505 G N -0.863 107.905 108.800 -0.053 0.000 2.753 505 G HA2 0.596 4.519 3.960 -0.062 0.000 0.285 505 G HA3 0.596 4.519 3.960 -0.062 0.000 0.285 505 G C 0.470 175.340 174.900 -0.049 0.000 1.344 505 G CA -0.445 44.619 45.100 -0.060 0.000 1.050 505 G HN 0.015 nan 8.290 nan 0.000 0.532 506 R N -0.932 119.544 120.500 -0.039 0.000 2.566 506 R HA 0.242 4.545 4.340 -0.062 0.000 0.388 506 R C -0.055 176.206 176.300 -0.064 0.000 0.989 506 R CA -0.035 56.078 56.100 0.022 0.000 1.164 506 R CB 0.317 30.749 30.300 0.220 0.000 1.459 506 R HN 0.522 nan 8.270 nan 0.000 0.553 507 V N -3.580 116.237 119.914 -0.162 0.000 3.130 507 V HA 0.937 5.020 4.120 -0.062 0.000 0.310 507 V C 0.311 176.337 176.094 -0.114 0.000 1.158 507 V CA -0.931 61.238 62.300 -0.220 0.000 1.029 507 V CB 1.824 33.380 31.823 -0.446 0.000 1.057 507 V HN 0.055 nan 8.190 nan 0.000 0.436 508 G N 0.755 109.507 108.800 -0.081 0.000 2.563 508 G HA2 0.548 4.471 3.960 -0.062 0.000 0.283 508 G HA3 0.548 4.471 3.960 -0.062 0.000 0.283 508 G C -1.785 173.110 174.900 -0.007 0.000 1.309 508 G CA -0.875 44.209 45.100 -0.026 0.000 1.022 508 G HN 0.652 nan 8.290 nan 0.000 0.501 509 P HA -0.109 nan 4.420 nan 0.000 0.215 509 P C 2.078 179.415 177.300 0.061 0.000 1.153 509 P CA 0.453 63.599 63.100 0.077 0.000 0.853 509 P CB 0.112 31.864 31.700 0.087 0.000 0.788 510 L N -1.205 120.043 121.223 0.043 0.000 2.005 510 L HA -0.128 4.175 4.340 -0.062 0.000 0.207 510 L C 2.134 178.987 176.870 -0.029 0.000 1.072 510 L CA 1.890 56.747 54.840 0.029 0.000 0.744 510 L CB -1.546 40.538 42.059 0.042 0.000 0.895 510 L HN -0.167 nan 8.230 nan 0.000 0.433 511 L N 0.073 121.263 121.223 -0.054 0.000 2.042 511 L HA -0.159 4.144 4.340 -0.062 0.000 0.210 511 L C 2.699 179.466 176.870 -0.171 0.000 1.076 511 L CA 2.060 56.830 54.840 -0.116 0.000 0.749 511 L CB -1.685 40.278 42.059 -0.160 0.000 0.893 511 L HN 0.395 nan 8.230 nan 0.000 0.432 512 A N -1.711 121.015 122.820 -0.158 0.000 1.933 512 A HA -0.285 3.998 4.320 -0.062 0.000 0.218 512 A C 2.595 179.869 177.584 -0.517 0.000 1.175 512 A CA 1.751 53.676 52.037 -0.186 0.000 0.628 512 A CB -1.353 17.642 19.000 -0.008 0.000 0.814 512 A HN 0.610 nan 8.150 nan 0.000 0.444 513 c N -0.438 117.818 118.600 -0.573 0.000 2.462 513 c HA -0.002 4.531 4.570 -0.062 0.000 0.278 513 c C 2.582 176.239 174.090 -0.723 0.000 1.253 513 c CA 1.155 56.736 56.329 -1.248 0.000 1.713 513 c CB -1.479 40.696 42.510 -0.559 0.000 2.049 513 c HN 0.572 nan 8.230 nan 0.000 0.477 514 L N 0.523 121.606 121.223 -0.234 0.000 1.994 514 L HA -0.112 4.191 4.340 -0.062 0.000 0.208 514 L C 2.776 179.707 176.870 0.103 0.000 1.071 514 L CA 1.638 56.504 54.840 0.043 0.000 0.745 514 L CB -0.944 41.111 42.059 -0.006 0.000 0.892 514 L HN 0.389 nan 8.230 nan 0.000 0.431 515 L N -0.081 121.152 121.223 0.015 0.000 1.971 515 L HA -0.206 4.097 4.340 -0.062 0.000 0.215 515 L C 2.740 179.747 176.870 0.228 0.000 1.072 515 L CA 1.751 56.694 54.840 0.172 0.000 0.758 515 L CB -1.410 40.683 42.059 0.056 0.000 0.889 515 L HN 0.347 nan 8.230 nan 0.000 0.433 516 G N -0.401 108.369 108.800 -0.049 0.000 2.553 516 G HA2 -0.309 3.613 3.960 -0.062 0.000 0.218 516 G HA3 -0.309 3.613 3.960 -0.062 0.000 0.218 516 G C 1.696 176.661 174.900 0.108 0.000 1.195 516 G CA 1.080 46.164 45.100 -0.028 0.000 0.779 516 G HN 0.287 nan 8.290 nan 0.000 0.577 517 R N -0.399 120.075 120.500 -0.044 0.000 2.083 517 R HA -0.129 4.173 4.340 -0.062 0.000 0.237 517 R C 2.721 179.130 176.300 0.181 0.000 1.137 517 R CA 1.695 57.838 56.100 0.072 0.000 0.951 517 R CB -0.415 29.830 30.300 -0.091 0.000 0.851 517 R HN 0.397 nan 8.270 nan 0.000 0.434 518 Q N 0.226 120.192 119.800 0.277 0.000 2.045 518 Q HA -0.173 4.130 4.340 -0.062 0.000 0.206 518 Q C 1.728 177.653 176.000 -0.124 0.000 0.991 518 Q CA 1.926 57.734 55.803 0.008 0.000 0.851 518 Q CB -0.303 28.061 28.738 -0.623 0.000 0.911 518 Q HN 0.244 nan 8.270 nan 0.000 0.418 519 F N 0.566 120.550 119.950 0.056 0.000 2.134 519 F HA -0.168 4.322 4.527 -0.062 0.000 0.299 519 F C 2.532 178.498 175.800 0.277 0.000 1.097 519 F CA 1.585 59.681 58.000 0.160 0.000 1.264 519 F CB -0.663 38.357 39.000 0.035 0.000 1.001 519 F HN 0.260 nan 8.300 nan 0.000 0.479 520 Q N 0.772 120.800 119.800 0.380 0.000 2.077 520 Q HA -0.278 4.025 4.340 -0.062 0.000 0.206 520 Q C 2.048 178.153 176.000 0.174 0.000 0.989 520 Q CA 2.117 58.084 55.803 0.273 0.000 0.853 520 Q CB -0.350 28.524 28.738 0.227 0.000 0.907 520 Q HN 0.524 nan 8.270 nan 0.000 0.418 521 Q N 0.215 120.105 119.800 0.150 0.000 2.079 521 Q HA -0.102 4.201 4.340 -0.062 0.000 0.200 521 Q C 2.303 178.375 176.000 0.120 0.000 0.974 521 Q CA 1.578 57.451 55.803 0.118 0.000 0.840 521 Q CB -0.243 28.569 28.738 0.123 0.000 0.898 521 Q HN 0.658 nan 8.270 nan 0.000 0.430 522 I N -1.290 119.347 120.570 0.110 0.000 2.493 522 I HA -0.185 3.947 4.170 -0.062 0.000 0.254 522 I C 2.431 178.656 176.117 0.180 0.000 1.160 522 I CA 1.173 62.556 61.300 0.138 0.000 1.445 522 I CB -0.419 37.644 38.000 0.104 0.000 1.086 522 I HN 0.088 nan 8.210 nan 0.000 0.433 523 R N 1.750 122.262 120.500 0.021 0.000 2.062 523 R HA -0.127 4.176 4.340 -0.062 0.000 0.226 523 R C 1.457 177.628 176.300 -0.216 0.000 1.125 523 R CA 1.922 57.733 56.100 -0.482 0.000 0.966 523 R CB -0.467 29.081 30.300 -1.253 0.000 0.861 523 R HN 0.337 nan 8.270 nan 0.000 0.433 524 D N -0.199 120.194 120.400 -0.011 0.000 2.269 524 D HA -0.026 4.577 4.640 -0.062 0.000 0.208 524 D C 1.407 177.854 176.300 0.245 0.000 0.963 524 D CA 1.295 55.363 54.000 0.114 0.000 0.864 524 D CB -0.182 40.654 40.800 0.061 0.000 0.936 524 D HN 0.518 nan 8.370 nan 0.000 0.505 525 G N -0.340 108.621 108.800 0.269 0.000 3.042 525 G HA2 -0.053 3.870 3.960 -0.062 0.000 0.212 525 G HA3 -0.053 3.870 3.960 -0.062 0.000 0.212 525 G C 0.033 175.271 174.900 0.564 0.000 1.166 525 G CA -0.233 45.103 45.100 0.394 0.000 0.767 525 G HN 0.022 nan 8.290 nan 0.000 0.546 526 D N 0.051 120.729 120.400 0.464 0.000 2.373 526 D HA 0.219 4.822 4.640 -0.062 0.000 0.227 526 D C 1.420 177.681 176.300 -0.066 0.000 1.091 526 D CA -0.712 53.493 54.000 0.342 0.000 0.840 526 D CB 0.860 41.967 40.800 0.511 0.000 1.060 526 D HN -0.066 nan 8.370 nan 0.000 0.502 527 R N 2.768 122.941 120.500 -0.545 0.000 2.193 527 R HA -0.072 4.231 4.340 -0.062 0.000 0.229 527 R C 0.547 176.389 176.300 -0.763 0.000 1.110 527 R CA 0.877 56.292 56.100 -1.141 0.000 0.988 527 R CB 0.040 29.677 30.300 -1.105 0.000 0.871 527 R HN 0.472 nan 8.270 nan 0.000 0.458 528 F N -1.145 118.695 119.950 -0.184 0.000 2.647 528 F HA 0.126 4.614 4.527 -0.066 0.000 0.300 528 F C 0.566 176.422 175.800 0.093 0.000 1.106 528 F CA -0.751 57.206 58.000 -0.072 0.000 1.313 528 F CB 0.098 39.032 39.000 -0.110 0.000 1.007 528 F HN 0.067 nan 8.300 nan 0.000 0.536 529 W N 3.306 124.649 121.300 0.072 0.000 2.343 529 W HA -0.162 4.477 4.660 -0.033 0.000 0.337 529 W C 1.339 177.906 176.519 0.081 0.000 1.320 529 W CA -0.386 56.995 57.345 0.060 0.000 1.290 529 W CB 0.402 29.793 29.460 -0.115 0.000 1.206 529 W HN 0.530 nan 8.180 nan 0.000 0.565 530 W N 5.000 125.923 121.300 -0.629 0.000 2.331 530 W HA -0.225 4.432 4.660 -0.006 0.000 0.291 530 W C 0.798 177.286 176.519 -0.052 0.000 1.214 530 W CA 1.636 58.886 57.345 -0.158 0.000 1.228 530 W CB -0.772 28.497 29.460 -0.317 0.000 1.135 530 W HN 0.470 nan 8.180 nan 0.000 0.537 531 E N 0.709 120.055 120.200 -1.423 0.000 2.481 531 E HA -0.106 4.207 4.350 -0.062 0.000 0.195 531 E C 0.315 176.845 176.600 -0.117 0.000 1.047 531 E CA -0.114 55.715 56.400 -0.952 0.000 0.867 531 E CB -0.360 28.769 29.700 -0.952 0.000 0.858 531 E HN 0.035 nan 8.360 nan 0.000 0.513 532 N N 2.445 121.185 118.700 0.066 0.000 2.440 532 N HA 0.007 4.710 4.740 -0.062 0.000 0.265 532 N C -2.628 172.937 175.510 0.091 0.000 1.239 532 N CA -1.583 51.606 53.050 0.232 0.000 0.909 532 N CB 0.519 39.117 38.487 0.184 0.000 1.066 532 N HN -0.232 nan 8.380 nan 0.000 0.474 533 P HA 0.051 nan 4.420 nan 0.000 0.260 533 P C 0.645 177.947 177.300 0.004 0.000 1.172 533 P CA 0.876 63.997 63.100 0.036 0.000 0.760 533 P CB 0.348 32.065 31.700 0.029 0.000 0.773 534 G N 1.400 110.200 108.800 -0.001 0.000 2.195 534 G HA2 -0.288 3.635 3.960 -0.062 0.000 0.246 534 G HA3 -0.288 3.635 3.960 -0.062 0.000 0.246 534 G C 0.935 175.796 174.900 -0.065 0.000 0.984 534 G CA 0.198 45.278 45.100 -0.032 0.000 0.633 534 G HN 0.414 nan 8.290 nan 0.000 0.525 535 V N -0.380 119.498 119.914 -0.061 0.000 2.331 535 V HA 0.373 4.456 4.120 -0.062 0.000 0.242 535 V C 1.357 177.273 176.094 -0.296 0.000 1.034 535 V CA 1.826 64.038 62.300 -0.145 0.000 1.027 535 V CB -0.301 31.475 31.823 -0.079 0.000 0.667 535 V HN 0.290 nan 8.190 nan 0.000 0.457 536 F N -0.460 119.522 119.950 0.052 0.000 2.613 536 F HA 0.514 5.041 4.527 -0.001 0.000 0.342 536 F C 0.650 176.428 175.800 -0.035 0.000 1.066 536 F CA -0.695 57.321 58.000 0.028 0.000 1.002 536 F CB 1.411 40.473 39.000 0.104 0.000 1.319 536 F HN -0.090 nan 8.300 nan 0.000 0.495 537 T N -2.582 112.038 114.554 0.111 0.000 2.909 537 T HA 0.241 4.554 4.350 -0.062 0.000 0.286 537 T C 0.818 175.532 174.700 0.023 0.000 1.002 537 T CA -0.568 61.542 62.100 0.017 0.000 1.074 537 T CB 1.529 70.362 68.868 -0.058 0.000 0.984 537 T HN 0.764 nan 8.240 nan 0.000 0.495 538 E N 1.050 121.263 120.200 0.022 0.000 2.164 538 E HA -0.282 4.031 4.350 -0.062 0.000 0.206 538 E C 1.900 178.512 176.600 0.019 0.000 1.032 538 E CA 1.824 58.241 56.400 0.027 0.000 0.832 538 E CB -0.016 29.694 29.700 0.017 0.000 0.742 538 E HN 0.733 nan 8.360 nan 0.000 0.460 539 K N -0.423 119.965 120.400 -0.020 0.000 2.116 539 K HA -0.086 4.197 4.320 -0.062 0.000 0.203 539 K C 2.240 178.795 176.600 -0.075 0.000 1.052 539 K CA 1.027 57.294 56.287 -0.033 0.000 0.952 539 K CB 0.144 32.615 32.500 -0.047 0.000 0.729 539 K HN 0.145 nan 8.250 nan 0.000 0.446 540 Q N -0.010 119.670 119.800 -0.200 0.000 2.050 540 Q HA -0.133 4.170 4.340 -0.062 0.000 0.202 540 Q C 2.089 178.052 176.000 -0.062 0.000 0.980 540 Q CA 1.194 56.757 55.803 -0.400 0.000 0.840 540 Q CB -0.066 28.295 28.738 -0.628 0.000 0.898 540 Q HN 0.206 nan 8.270 nan 0.000 0.424 541 R N 0.757 121.281 120.500 0.040 0.000 2.105 541 R HA -0.141 4.162 4.340 -0.062 0.000 0.239 541 R C 1.733 178.155 176.300 0.204 0.000 1.135 541 R CA 1.288 57.509 56.100 0.201 0.000 0.967 541 R CB -0.209 30.220 30.300 0.214 0.000 0.861 541 R HN 0.346 nan 8.270 nan 0.000 0.442 542 D N -0.264 120.209 120.400 0.122 0.000 2.178 542 D HA -0.113 4.490 4.640 -0.062 0.000 0.201 542 D C 1.719 178.076 176.300 0.095 0.000 0.980 542 D CA 1.185 55.248 54.000 0.105 0.000 0.842 542 D CB 0.064 40.907 40.800 0.072 0.000 0.948 542 D HN 0.109 nan 8.370 nan 0.000 0.472 543 S N -0.610 115.156 115.700 0.111 0.000 2.478 543 S HA 0.066 4.499 4.470 -0.062 0.000 0.222 543 S C 1.938 176.597 174.600 0.098 0.000 1.008 543 S CA -0.063 58.220 58.200 0.137 0.000 0.928 543 S CB 0.165 63.524 63.200 0.264 0.000 0.781 543 S HN 0.131 nan 8.310 nan 0.000 0.518 544 L N 0.832 122.088 121.223 0.055 0.000 2.418 544 L HA 0.189 4.492 4.340 -0.062 0.000 0.218 544 L C 2.381 179.129 176.870 -0.202 0.000 1.125 544 L CA 0.538 55.315 54.840 -0.105 0.000 0.835 544 L CB -0.203 41.694 42.059 -0.269 0.000 0.953 544 L HN 0.294 nan 8.230 nan 0.000 0.454 545 Q N -0.155 119.592 119.800 -0.089 0.000 2.488 545 Q HA -0.123 4.180 4.340 -0.062 0.000 0.211 545 Q C 1.589 177.570 176.000 -0.031 0.000 0.967 545 Q CA 0.766 56.535 55.803 -0.058 0.000 0.926 545 Q CB 0.189 28.976 28.738 0.081 0.000 0.992 545 Q HN 0.364 nan 8.270 nan 0.000 0.506 546 K N 0.333 120.722 120.400 -0.019 0.000 2.393 546 K HA 0.048 4.330 4.320 -0.062 0.000 0.193 546 K C 0.403 176.999 176.600 -0.008 0.000 1.026 546 K CA -0.064 56.222 56.287 -0.002 0.000 1.064 546 K CB 0.550 33.057 32.500 0.012 0.000 0.833 546 K HN 0.085 nan 8.250 nan 0.000 0.521 547 V N 0.114 120.015 119.914 -0.022 0.000 2.963 547 V HA 0.226 4.309 4.120 -0.062 0.000 0.306 547 V C -0.092 176.020 176.094 0.029 0.000 1.077 547 V CA -0.479 61.847 62.300 0.043 0.000 1.124 547 V CB 1.256 33.167 31.823 0.146 0.000 0.987 547 V HN 0.202 nan 8.190 nan 0.000 0.487 548 S N 2.643 118.401 115.700 0.097 0.000 2.547 548 S HA 0.515 4.948 4.470 -0.062 0.000 0.270 548 S C -0.221 174.465 174.600 0.143 0.000 1.150 548 S CA -0.400 57.840 58.200 0.067 0.000 0.850 548 S CB 1.291 64.505 63.200 0.024 0.000 1.118 548 S HN 0.879 nan 8.310 nan 0.000 0.461 549 F N 2.445 122.375 119.950 -0.034 0.000 2.293 549 F HA 0.010 4.502 4.527 -0.059 0.000 0.300 549 F C 2.326 178.100 175.800 -0.042 0.000 1.086 549 F CA 1.963 59.950 58.000 -0.023 0.000 1.375 549 F CB -0.266 38.598 39.000 -0.226 0.000 1.045 549 F HN 0.688 nan 8.300 nan 0.000 0.516 550 S N 0.165 115.883 115.700 0.030 0.000 2.356 550 S HA -0.243 4.190 4.470 -0.062 0.000 0.223 550 S C 1.954 176.496 174.600 -0.097 0.000 1.032 550 S CA 1.345 59.519 58.200 -0.043 0.000 1.005 550 S CB -0.438 62.730 63.200 -0.055 0.000 0.867 550 S HN 0.278 nan 8.310 nan 0.000 0.449 551 R N 1.546 121.999 120.500 -0.078 0.000 2.083 551 R HA -0.014 4.289 4.340 -0.062 0.000 0.237 551 R C 2.180 178.379 176.300 -0.168 0.000 1.137 551 R CA 1.370 57.413 56.100 -0.095 0.000 0.951 551 R CB -1.128 29.134 30.300 -0.063 0.000 0.851 551 R HN 0.427 nan 8.270 nan 0.000 0.434 552 L N -0.004 121.078 121.223 -0.235 0.000 2.081 552 L HA -0.182 4.121 4.340 -0.062 0.000 0.212 552 L C 2.099 178.743 176.870 -0.377 0.000 1.080 552 L CA 1.656 56.270 54.840 -0.378 0.000 0.754 552 L CB -0.224 41.511 42.059 -0.541 0.000 0.893 552 L HN 0.319 nan 8.230 nan 0.000 0.433 553 I N -1.682 118.666 120.570 -0.369 0.000 2.163 553 I HA -0.358 3.775 4.170 -0.062 0.000 0.240 553 I C 2.526 178.547 176.117 -0.161 0.000 1.081 553 I CA 1.337 62.486 61.300 -0.251 0.000 1.353 553 I CB -0.504 37.405 38.000 -0.152 0.000 1.054 553 I HN 0.386 nan 8.210 nan 0.000 0.407 554 c N 0.813 119.341 118.600 -0.121 0.000 2.413 554 c HA -0.193 4.340 4.570 -0.062 0.000 0.276 554 c C 2.229 176.259 174.090 -0.100 0.000 1.248 554 c CA 0.879 57.162 56.329 -0.078 0.000 1.742 554 c CB -1.079 41.398 42.510 -0.055 0.000 2.017 554 c HN 0.522 nan 8.230 nan 0.000 0.481 555 D N 0.166 120.485 120.400 -0.135 0.000 2.363 555 D HA -0.013 4.590 4.640 -0.062 0.000 0.220 555 D C 1.214 177.417 176.300 -0.160 0.000 0.994 555 D CA 0.806 54.724 54.000 -0.137 0.000 0.890 555 D CB -0.404 40.302 40.800 -0.157 0.000 0.906 555 D HN 0.587 nan 8.370 nan 0.000 0.530 556 N N -0.269 118.317 118.700 -0.190 0.000 2.143 556 N HA 0.027 4.730 4.740 -0.062 0.000 0.229 556 N C 0.040 175.400 175.510 -0.250 0.000 1.294 556 N CA 0.199 53.121 53.050 -0.213 0.000 0.883 556 N CB 1.850 40.203 38.487 -0.222 0.000 1.148 556 N HN 0.181 nan 8.380 nan 0.000 0.511 557 T N -3.070 111.327 114.554 -0.262 0.000 2.718 557 T HA 0.353 4.666 4.350 -0.062 0.000 0.296 557 T C -0.520 173.982 174.700 -0.329 0.000 1.183 557 T CA -0.505 61.408 62.100 -0.313 0.000 1.014 557 T CB 1.442 70.204 68.868 -0.177 0.000 1.406 557 T HN 0.032 nan 8.240 nan 0.000 0.507 558 H N -0.277 118.786 119.070 -0.013 0.000 2.591 558 H HA 0.514 5.034 4.556 -0.059 0.000 0.302 558 H C -0.255 175.078 175.328 0.008 0.000 1.163 558 H CA -0.451 55.605 56.048 0.015 0.000 1.049 558 H CB -0.341 29.461 29.762 0.066 0.000 1.543 558 H HN 0.310 nan 8.280 nan 0.000 0.523 559 I N 0.784 121.395 120.570 0.068 0.000 2.437 559 I HA 0.133 4.265 4.170 -0.062 0.000 0.298 559 I C 1.034 177.208 176.117 0.094 0.000 0.984 559 I CA -0.264 61.080 61.300 0.073 0.000 1.214 559 I CB 1.880 39.914 38.000 0.057 0.000 1.365 559 I HN 0.276 nan 8.210 nan 0.000 0.469 560 T N 0.363 114.993 114.554 0.128 0.000 3.043 560 T HA 0.247 4.560 4.350 -0.062 0.000 0.272 560 T C 0.295 175.094 174.700 0.165 0.000 0.990 560 T CA -0.334 61.838 62.100 0.119 0.000 0.897 560 T CB 0.167 69.096 68.868 0.100 0.000 1.111 560 T HN 0.471 nan 8.240 nan 0.000 0.529 561 K N 2.343 122.899 120.400 0.260 0.000 2.358 561 K HA 0.683 4.966 4.320 -0.062 0.000 0.260 561 K C -0.833 176.062 176.600 0.492 0.000 0.956 561 K CA -0.825 55.690 56.287 0.379 0.000 0.834 561 K CB 2.779 35.581 32.500 0.502 0.000 1.102 561 K HN 0.238 nan 8.250 nan 0.000 0.431 562 V N -0.882 119.209 119.914 0.295 0.000 3.078 562 V HA 0.653 4.736 4.120 -0.062 0.000 0.311 562 V C -2.789 173.120 176.094 -0.308 0.000 1.138 562 V CA -2.585 59.769 62.300 0.089 0.000 1.007 562 V CB 2.148 33.990 31.823 0.032 0.000 1.045 562 V HN 0.577 nan 8.190 nan 0.000 0.432 563 P HA 0.327 nan 4.420 nan 0.000 0.282 563 P C 0.066 177.169 177.300 -0.328 0.000 1.259 563 P CA -0.366 62.381 63.100 -0.589 0.000 0.826 563 P CB 1.862 33.178 31.700 -0.641 0.000 1.064 564 L N 0.699 121.708 121.223 -0.356 0.000 2.162 564 L HA 0.037 4.340 4.340 -0.062 0.000 0.205 564 L C 1.190 177.786 176.870 -0.457 0.000 1.086 564 L CA 1.670 56.255 54.840 -0.425 0.000 0.778 564 L CB -1.565 40.133 42.059 -0.601 0.000 0.928 564 L HN 0.440 nan 8.230 nan 0.000 0.446 565 H N -0.806 118.223 119.070 -0.068 0.000 2.691 565 H HA 0.401 4.919 4.556 -0.063 0.000 0.281 565 H C 0.965 176.265 175.328 -0.047 0.000 1.121 565 H CA 0.124 56.163 56.048 -0.016 0.000 1.254 565 H CB 0.991 30.758 29.762 0.009 0.000 1.390 565 H HN 0.008 nan 8.280 nan 0.000 0.491 566 A N 2.671 125.478 122.820 -0.022 0.000 2.066 566 A HA -0.063 4.220 4.320 -0.062 0.000 0.218 566 A C 1.317 178.781 177.584 -0.199 0.000 1.157 566 A CA 0.716 52.647 52.037 -0.177 0.000 0.670 566 A CB -0.419 18.409 19.000 -0.285 0.000 0.804 566 A HN 0.433 nan 8.150 nan 0.000 0.453 567 F N 0.557 120.537 119.950 0.051 0.000 2.512 567 F HA 0.055 4.539 4.527 -0.070 0.000 0.296 567 F C 1.503 177.333 175.800 0.050 0.000 1.110 567 F CA 0.498 58.553 58.000 0.091 0.000 1.446 567 F CB -0.173 38.917 39.000 0.150 0.000 1.092 567 F HN 0.379 nan 8.300 nan 0.000 0.554 568 Q N 0.840 120.742 119.800 0.171 0.000 2.256 568 Q HA 0.622 4.925 4.340 -0.062 0.000 0.232 568 Q C -0.213 175.825 176.000 0.064 0.000 0.965 568 Q CA -0.862 54.983 55.803 0.071 0.000 0.908 568 Q CB 0.906 29.669 28.738 0.041 0.000 1.209 568 Q HN 0.087 nan 8.270 nan 0.000 0.489 569 A N 1.790 124.638 122.820 0.046 0.000 2.450 569 A HA 0.283 4.566 4.320 -0.062 0.000 0.255 569 A C -0.805 176.828 177.584 0.082 0.000 1.096 569 A CA -0.363 51.716 52.037 0.069 0.000 0.778 569 A CB -0.434 18.602 19.000 0.059 0.000 1.031 569 A HN 0.791 nan 8.150 nan 0.000 0.494 570 N N 2.126 120.895 118.700 0.115 0.000 2.410 570 N HA 0.259 4.962 4.740 -0.062 0.000 0.287 570 N C -1.377 174.306 175.510 0.288 0.000 1.044 570 N CA -0.671 52.463 53.050 0.140 0.000 0.881 570 N CB 1.495 39.980 38.487 -0.004 0.000 1.405 570 N HN 0.657 nan 8.380 nan 0.000 0.490 571 N N 1.686 120.546 118.700 0.266 0.000 2.434 571 N HA 0.078 4.781 4.740 -0.062 0.000 0.272 571 N C -1.143 174.564 175.510 0.327 0.000 1.040 571 N CA -0.155 53.051 53.050 0.259 0.000 0.956 571 N CB 1.215 39.792 38.487 0.150 0.000 1.108 571 N HN 0.503 nan 8.380 nan 0.000 0.481 572 Y N 3.953 124.247 120.300 -0.011 0.000 2.319 572 Y HA 0.265 4.777 4.550 -0.064 0.000 0.328 572 Y C -1.350 174.473 175.900 -0.128 0.000 1.133 572 Y CA -1.221 56.654 58.100 -0.374 0.000 1.265 572 Y CB 0.990 38.842 38.460 -1.014 0.000 1.218 572 Y HN 0.497 nan 8.280 nan 0.000 0.508 573 P HA 0.062 nan 4.420 nan 0.000 0.264 573 P C 0.864 178.019 177.300 -0.242 0.000 1.259 573 P CA 0.624 63.104 63.100 -1.034 0.000 0.841 573 P CB 0.169 31.220 31.700 -1.081 0.000 1.232 574 H N 1.465 120.455 119.070 -0.133 0.000 2.321 574 H HA -0.141 4.379 4.556 -0.061 0.000 0.295 574 H C 0.810 176.146 175.328 0.012 0.000 1.102 574 H CA 2.182 58.203 56.048 -0.044 0.000 1.266 574 H CB -0.243 29.506 29.762 -0.022 0.000 1.363 574 H HN -0.081 nan 8.280 nan 0.000 0.492 575 D N -0.557 119.894 120.400 0.085 0.000 2.328 575 D HA 0.029 4.632 4.640 -0.062 0.000 0.226 575 D C -0.707 175.497 176.300 -0.160 0.000 1.066 575 D CA 0.236 54.214 54.000 -0.038 0.000 0.861 575 D CB -0.141 40.687 40.800 0.047 0.000 0.912 575 D HN 0.227 nan 8.370 nan 0.000 0.521 576 F N 0.934 120.791 119.950 -0.154 0.000 2.426 576 F HA 0.227 4.719 4.527 -0.059 0.000 0.348 576 F C 0.652 176.398 175.800 -0.090 0.000 1.124 576 F CA -1.139 56.806 58.000 -0.091 0.000 1.008 576 F CB 1.380 40.361 39.000 -0.032 0.000 1.139 576 F HN -0.292 nan 8.300 nan 0.000 0.452 577 V N -0.544 119.386 119.914 0.026 0.000 3.267 577 V HA 0.593 4.675 4.120 -0.062 0.000 0.317 577 V C -0.664 175.468 176.094 0.062 0.000 1.131 577 V CA -0.920 61.386 62.300 0.010 0.000 1.031 577 V CB 1.644 33.435 31.823 -0.054 0.000 1.159 577 V HN 0.555 nan 8.190 nan 0.000 0.454 578 D N -0.449 119.973 120.400 0.037 0.000 2.308 578 D HA 0.266 4.869 4.640 -0.062 0.000 0.251 578 D C 0.823 177.142 176.300 0.031 0.000 1.127 578 D CA 0.030 54.060 54.000 0.050 0.000 0.876 578 D CB 1.251 42.071 40.800 0.033 0.000 1.176 578 D HN 0.730 nan 8.370 nan 0.000 0.446 579 c N 1.974 120.601 118.600 0.045 0.000 2.402 579 c HA -0.071 4.462 4.570 -0.062 0.000 0.301 579 c C 1.458 175.549 174.090 0.003 0.000 1.455 579 c CA 0.686 57.027 56.329 0.021 0.000 1.787 579 c CB -1.234 41.292 42.510 0.028 0.000 1.726 579 c HN 0.470 nan 8.230 nan 0.000 0.565 580 S N -0.499 115.205 115.700 0.007 0.000 2.560 580 S HA 0.268 4.701 4.470 -0.062 0.000 0.227 580 S C 0.765 175.361 174.600 -0.005 0.000 1.280 580 S CA 0.033 58.233 58.200 0.001 0.000 1.260 580 S CB 0.016 63.221 63.200 0.008 0.000 1.002 580 S HN 0.711 nan 8.310 nan 0.000 0.509 581 T N -0.928 113.619 114.554 -0.013 0.000 3.704 581 T HA -0.012 4.301 4.350 -0.062 0.000 0.314 581 T C 0.045 174.730 174.700 -0.026 0.000 0.871 581 T CA -0.229 61.860 62.100 -0.018 0.000 1.055 581 T CB -0.080 68.777 68.868 -0.018 0.000 1.091 581 T HN 0.170 nan 8.240 nan 0.000 0.619 582 V N 4.163 124.058 119.914 -0.032 0.000 2.599 582 V HA 0.157 4.240 4.120 -0.062 0.000 0.300 582 V C 0.127 176.201 176.094 -0.033 0.000 1.034 582 V CA -0.240 62.035 62.300 -0.042 0.000 1.115 582 V CB 0.025 31.819 31.823 -0.048 0.000 0.934 582 V HN 0.403 nan 8.190 nan 0.000 0.485 583 D N 4.038 124.420 120.400 -0.029 0.000 2.658 583 D HA 0.040 4.643 4.640 -0.062 0.000 0.230 583 D C 0.288 176.574 176.300 -0.024 0.000 1.118 583 D CA 0.879 54.867 54.000 -0.019 0.000 0.848 583 D CB 0.274 41.067 40.800 -0.011 0.000 1.160 583 D HN 0.513 nan 8.370 nan 0.000 0.497 584 K N 1.379 121.766 120.400 -0.022 0.000 2.098 584 K HA 0.337 4.620 4.320 -0.062 0.000 0.258 584 K C -0.247 176.337 176.600 -0.027 0.000 0.973 584 K CA -1.193 55.074 56.287 -0.033 0.000 0.898 584 K CB 1.369 33.847 32.500 -0.036 0.000 1.057 584 K HN 0.259 nan 8.250 nan 0.000 0.447 585 L N 3.037 124.232 121.223 -0.047 0.000 2.536 585 L HA 0.056 4.359 4.340 -0.062 0.000 0.282 585 L C -0.448 176.402 176.870 -0.033 0.000 1.147 585 L CA 0.104 54.917 54.840 -0.044 0.000 0.936 585 L CB -0.603 41.398 42.059 -0.098 0.000 1.279 585 L HN 0.428 nan 8.230 nan 0.000 0.461 586 D N 3.955 124.368 120.400 0.022 0.000 2.450 586 D HA -0.009 4.594 4.640 -0.062 0.000 0.247 586 D C 0.365 176.729 176.300 0.106 0.000 1.162 586 D CA 0.574 54.604 54.000 0.050 0.000 0.879 586 D CB 0.660 41.501 40.800 0.069 0.000 1.163 586 D HN 0.697 nan 8.370 nan 0.000 0.472 587 L N 2.981 124.242 121.223 0.063 0.000 3.066 587 L HA 0.108 4.411 4.340 -0.062 0.000 0.265 587 L C 1.368 178.356 176.870 0.196 0.000 1.232 587 L CA 0.006 54.874 54.840 0.046 0.000 1.031 587 L CB 0.010 41.980 42.059 -0.149 0.000 1.379 587 L HN 0.485 nan 8.230 nan 0.000 0.563 588 S N -1.718 114.112 115.700 0.217 0.000 2.458 588 S HA 0.131 4.564 4.470 -0.062 0.000 0.223 588 S C -0.803 173.927 174.600 0.218 0.000 1.019 588 S CA -0.009 58.294 58.200 0.172 0.000 0.937 588 S CB -1.085 62.167 63.200 0.088 0.000 0.788 588 S HN 0.166 nan 8.310 nan 0.000 0.511 589 P HA -0.079 nan 4.420 nan 0.000 0.229 589 P C 0.152 177.429 177.300 -0.039 0.000 1.147 589 P CA 0.985 64.117 63.100 0.053 0.000 0.766 589 P CB -0.269 31.379 31.700 -0.088 0.000 0.775 590 W N -1.194 120.127 121.300 0.035 0.000 3.132 590 W HA 0.437 5.065 4.660 -0.054 0.000 0.364 590 W C 0.480 176.948 176.519 -0.085 0.000 1.129 590 W CA -0.605 56.769 57.345 0.049 0.000 1.815 590 W CB 0.192 29.692 29.460 0.066 0.000 1.099 590 W HN -0.149 nan 8.180 nan 0.000 0.605 591 A N 1.102 123.969 122.820 0.078 0.000 2.445 591 A HA 0.297 4.580 4.320 -0.062 0.000 0.242 591 A C 0.239 177.816 177.584 -0.012 0.000 1.075 591 A CA 0.460 52.475 52.037 -0.037 0.000 0.777 591 A CB 0.640 19.635 19.000 -0.008 0.000 1.013 591 A HN -0.007 nan 8.150 nan 0.000 0.493 592 S N 1.348 117.031 115.700 -0.029 0.000 2.774 592 S HA 0.536 4.969 4.470 -0.062 0.000 0.297 592 S C -0.660 174.002 174.600 0.102 0.000 1.143 592 S CA -0.776 57.491 58.200 0.111 0.000 1.090 592 S CB 0.161 63.535 63.200 0.291 0.000 1.019 592 S HN 0.666 nan 8.310 nan 0.000 0.482 593 R N 3.209 123.742 120.500 0.055 0.000 2.265 593 R HA 0.429 4.732 4.340 -0.062 0.000 0.328 593 R C -0.056 176.249 176.300 0.007 0.000 0.969 593 R CA -0.722 55.380 56.100 0.003 0.000 0.832 593 R CB 0.857 31.156 30.300 -0.002 0.000 1.139 593 R HN 0.381 nan 8.270 nan 0.000 0.457 594 E N 0.596 120.779 120.200 -0.029 0.000 2.427 594 E HA -0.020 4.293 4.350 -0.062 0.000 0.196 594 E C 0.181 176.776 176.600 -0.008 0.000 1.028 594 E CA 0.559 56.952 56.400 -0.011 0.000 0.864 594 E CB -0.061 29.613 29.700 -0.043 0.000 0.813 594 E HN 0.403 nan 8.360 nan 0.000 0.514 595 N N 0.000 118.692 118.700 -0.014 0.000 1.763 595 N HA 0.000 4.703 4.740 -0.062 0.000 0.220 595 N CA 0.000 53.045 53.050 -0.008 0.000 0.885 595 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667