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 2c11_1_D DATA FIRST_RESID 58 DATA SEQUENCE QLFADLSREE LTAVMRFLTQ RLGPGLVDAA QARPSDNCVF SVELQLPPKA DATA SEQUENCE AALAHLDRGS PPPAREALAI VFFGRQPQPN VSELVVGPLP HPSYMRDVTV DATA SEQUENCE ERHGGPLPYH RRPVLFQEYL DIDQMIFNRE LPQASGLLHH CCFYKHRGRN DATA SEQUENCE LVTMTTAPRG LQSGDRATWF GLYYNISGAG FFLHHVGLEL LVNHKALDPA DATA SEQUENCE RWTIQKVFYQ GRYYDSLAQL EAQFEAGLVN VVLIPDNGTG GSWSLKSPVP DATA SEQUENCE PGPAPPLQFY PQGPRFSVQG SRVASSLWTF SFGLGAFSGP RIFDVRFQGE DATA SEQUENCE RLVYEISLQE ALAIYGGNSP AAMTTRYVDG GFGMGKYTTP LTRGVDcPYL DATA SEQUENCE ATYVDWHFLL ESQAPKTIRD AFcVFEQNQG LPLRRHHSDL YSHYFGGLAE DATA SEQUENCE TVLVVRSMST LLNXDYVWDT VFHPSGAIEI RFYATGYISS AFLFGATGKY DATA SEQUENCE GNQVSEHTLG TVHTHSAHFK VDLDVAGLEN WVWAEDMVFV PMAVPWSPEH DATA SEQUENCE QLQRLQVTRK LLEMEEQAAF LVGSATPRYL YLASNHSNKW GHPRGYRIQM DATA SEQUENCE LSFAGEPLPQ NSSMARGFSW ERYQLAVTQR KEEEPSSSSV FNQNDPWAPT DATA SEQUENCE VDFSDFINNE TIAGKDLVAW VTAGFLHIPH AEDIPNTVTV GNGVGFFLRP DATA SEQUENCE YNFFDEDPSF YSADSIYFRG DQ 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 58 Q HA 0.000 nan 4.340 nan 0.000 0.214 58 Q C 0.000 175.901 176.000 -0.165 0.000 1.003 58 Q CA 0.000 55.758 55.803 -0.076 0.000 1.022 58 Q CB 0.000 28.699 28.738 -0.065 0.000 1.108 59 L N 0.985 122.026 121.223 -0.302 0.000 2.313 59 L HA 0.181 4.521 4.340 -0.000 0.000 0.214 59 L C 0.358 176.800 176.870 -0.712 0.000 1.119 59 L CA 1.772 56.272 54.840 -0.566 0.000 0.809 59 L CB 0.300 41.893 42.059 -0.775 0.000 0.933 59 L HN 0.593 nan 8.230 nan 0.000 0.449 60 F N -0.278 119.560 119.950 -0.188 0.000 2.928 60 F HA 0.502 5.029 4.527 -0.000 0.000 0.337 60 F C 0.577 176.275 175.800 -0.171 0.000 1.259 60 F CA -0.505 57.316 58.000 -0.298 0.000 1.267 60 F CB -0.250 38.412 39.000 -0.562 0.000 0.986 60 F HN -0.072 nan 8.300 nan 0.000 0.507 61 A N 0.137 122.953 122.820 -0.007 0.000 2.252 61 A HA 0.416 4.736 4.320 -0.000 0.000 0.309 61 A C -0.286 177.331 177.584 0.056 0.000 1.285 61 A CA -0.711 51.331 52.037 0.009 0.000 0.900 61 A CB -0.068 18.915 19.000 -0.029 0.000 1.157 61 A HN 0.321 nan 8.150 nan 0.000 0.536 62 D N 1.522 122.005 120.400 0.138 0.000 2.601 62 D HA 0.084 4.724 4.640 -0.000 0.000 0.229 62 D C 0.444 176.805 176.300 0.102 0.000 1.140 62 D CA 0.798 54.910 54.000 0.186 0.000 0.862 62 D CB 0.234 41.248 40.800 0.357 0.000 1.192 62 D HN 0.517 nan 8.370 nan 0.000 0.480 63 L N 1.597 122.857 121.223 0.061 0.000 2.593 63 L HA -0.062 4.278 4.340 -0.000 0.000 0.287 63 L C 1.143 178.012 176.870 -0.001 0.000 1.243 63 L CA 0.124 54.968 54.840 0.006 0.000 0.890 63 L CB -0.142 41.909 42.059 -0.013 0.000 1.134 63 L HN 0.515 nan 8.230 nan 0.000 0.502 64 S N 3.538 119.218 115.700 -0.033 0.000 2.645 64 S HA 0.204 4.674 4.470 -0.000 0.000 0.266 64 S C 1.068 175.570 174.600 -0.163 0.000 1.258 64 S CA -0.636 57.521 58.200 -0.071 0.000 0.990 64 S CB 1.439 64.584 63.200 -0.091 0.000 0.967 64 S HN 0.726 nan 8.310 nan 0.000 0.556 65 R N 0.456 120.751 120.500 -0.342 0.000 2.096 65 R HA -0.186 4.154 4.340 -0.000 0.000 0.240 65 R C 1.741 177.915 176.300 -0.210 0.000 1.139 65 R CA 2.219 58.100 56.100 -0.365 0.000 0.952 65 R CB -0.566 29.418 30.300 -0.527 0.000 0.854 65 R HN 0.810 nan 8.270 nan 0.000 0.436 66 E N 0.389 120.485 120.200 -0.174 0.000 2.016 66 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 66 E C 1.867 178.405 176.600 -0.103 0.000 0.985 66 E CA 1.435 57.764 56.400 -0.119 0.000 0.802 66 E CB -0.139 29.499 29.700 -0.104 0.000 0.762 66 E HN 0.375 nan 8.360 nan 0.000 0.448 67 E N 0.071 120.205 120.200 -0.109 0.000 2.187 67 E HA -0.228 4.122 4.350 -0.000 0.000 0.199 67 E C 1.942 178.494 176.600 -0.080 0.000 1.004 67 E CA 0.952 57.292 56.400 -0.100 0.000 0.813 67 E CB -0.136 29.506 29.700 -0.097 0.000 0.736 67 E HN 0.196 nan 8.360 nan 0.000 0.468 68 L N -0.068 121.103 121.223 -0.087 0.000 2.056 68 L HA -0.161 4.178 4.340 -0.000 0.000 0.207 68 L C 2.540 179.374 176.870 -0.060 0.000 1.078 68 L CA 1.236 56.030 54.840 -0.077 0.000 0.749 68 L CB -0.521 41.470 42.059 -0.114 0.000 0.901 68 L HN 0.160 nan 8.230 nan 0.000 0.433 69 T N 0.101 114.614 114.554 -0.069 0.000 2.652 69 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 69 T C 2.040 176.734 174.700 -0.010 0.000 1.039 69 T CA 1.462 63.534 62.100 -0.047 0.000 1.153 69 T CB -0.337 68.498 68.868 -0.056 0.000 0.863 69 T HN 0.441 nan 8.240 nan 0.000 0.428 70 A N 1.025 123.839 122.820 -0.010 0.000 1.908 70 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 70 A C 2.616 180.238 177.584 0.062 0.000 1.181 70 A CA 1.618 53.670 52.037 0.026 0.000 0.627 70 A CB -1.122 17.876 19.000 -0.004 0.000 0.818 70 A HN 0.360 nan 8.150 nan 0.000 0.445 71 V N -0.667 119.261 119.914 0.024 0.000 2.343 71 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 71 V C 2.556 178.727 176.094 0.130 0.000 1.051 71 V CA 2.323 64.658 62.300 0.059 0.000 1.036 71 V CB -0.702 31.132 31.823 0.018 0.000 0.654 71 V HN 0.644 nan 8.190 nan 0.000 0.451 72 M N 0.364 120.006 119.600 0.070 0.000 2.086 72 M HA -0.137 4.343 4.480 -0.000 0.000 0.261 72 M C 2.231 178.580 176.300 0.081 0.000 1.067 72 M CA 1.784 57.121 55.300 0.062 0.000 1.116 72 M CB -0.814 31.793 32.600 0.013 0.000 1.348 72 M HN 0.163 nan 8.290 nan 0.000 0.407 73 R N -1.574 118.973 120.500 0.078 0.000 2.105 73 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 73 R C 2.209 178.570 176.300 0.101 0.000 1.135 73 R CA 1.807 57.950 56.100 0.072 0.000 0.967 73 R CB -0.907 29.433 30.300 0.066 0.000 0.861 73 R HN 0.429 nan 8.270 nan 0.000 0.442 74 F N 1.411 121.367 119.950 0.009 0.000 2.171 74 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 74 F C 1.836 177.656 175.800 0.032 0.000 1.090 74 F CA 1.342 59.351 58.000 0.015 0.000 1.293 74 F CB -0.021 38.982 39.000 0.006 0.000 1.013 74 F HN -0.091 nan 8.300 nan 0.000 0.486 75 L N -0.410 120.896 121.223 0.137 0.000 2.068 75 L HA -0.169 4.171 4.340 -0.000 0.000 0.204 75 L C 2.706 179.582 176.870 0.009 0.000 1.076 75 L CA 1.634 56.520 54.840 0.077 0.000 0.753 75 L CB -1.322 40.827 42.059 0.151 0.000 0.910 75 L HN 0.266 nan 8.230 nan 0.000 0.439 76 T N -2.517 112.049 114.554 0.020 0.000 2.760 76 T HA -0.301 4.049 4.350 -0.000 0.000 0.269 76 T C 1.676 176.362 174.700 -0.024 0.000 1.047 76 T CA 1.673 63.780 62.100 0.011 0.000 1.139 76 T CB -0.305 68.569 68.868 0.010 0.000 0.855 76 T HN 0.413 nan 8.240 nan 0.000 0.471 77 Q N 0.008 119.760 119.800 -0.080 0.000 2.033 77 Q HA 0.080 4.420 4.340 -0.000 0.000 0.196 77 Q C 2.926 178.836 176.000 -0.150 0.000 0.970 77 Q CA 0.792 56.520 55.803 -0.126 0.000 0.828 77 Q CB -0.038 28.585 28.738 -0.191 0.000 0.895 77 Q HN 0.369 nan 8.270 nan 0.000 0.440 78 R N 0.707 121.068 120.500 -0.233 0.000 2.073 78 R HA 0.009 4.349 4.340 -0.000 0.000 0.229 78 R C 1.988 178.261 176.300 -0.045 0.000 1.120 78 R CA 0.828 56.819 56.100 -0.182 0.000 0.967 78 R CB -0.509 29.629 30.300 -0.270 0.000 0.862 78 R HN 0.285 nan 8.270 nan 0.000 0.436 79 L N 0.913 122.145 121.223 0.015 0.000 2.711 79 L HA 0.072 4.412 4.340 -0.000 0.000 0.242 79 L C 0.824 177.727 176.870 0.056 0.000 1.153 79 L CA 0.250 55.144 54.840 0.090 0.000 0.898 79 L CB -0.878 41.296 42.059 0.192 0.000 1.044 79 L HN 0.315 nan 8.230 nan 0.000 0.437 80 G N 0.624 109.430 108.800 0.011 0.000 2.828 80 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.463 80 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.463 80 G C -2.371 172.541 174.900 0.020 0.000 1.394 80 G CA -0.504 44.599 45.100 0.006 0.000 0.862 80 G HN 0.136 nan 8.290 nan 0.000 0.540 81 P HA 0.202 nan 4.420 nan 0.000 0.252 81 P C 1.669 178.992 177.300 0.039 0.000 1.218 81 P CA 1.089 64.203 63.100 0.023 0.000 0.807 81 P CB 0.389 32.096 31.700 0.012 0.000 1.072 82 G N 0.163 108.990 108.800 0.045 0.000 2.807 82 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.207 82 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.207 82 G C 0.286 175.241 174.900 0.092 0.000 1.151 82 G CA 0.010 45.146 45.100 0.060 0.000 0.800 82 G HN 0.223 nan 8.290 nan 0.000 0.523 83 L N 1.529 122.809 121.223 0.096 0.000 2.331 83 L HA 0.559 4.899 4.340 -0.000 0.000 0.278 83 L C 0.198 177.121 176.870 0.089 0.000 1.106 83 L CA -0.705 54.205 54.840 0.117 0.000 0.824 83 L CB 1.598 43.725 42.059 0.113 0.000 1.142 83 L HN 0.001 nan 8.230 nan 0.000 0.443 84 V N 1.671 121.644 119.914 0.099 0.000 2.815 84 V HA 0.516 4.636 4.120 -0.000 0.000 0.314 84 V C -0.312 175.824 176.094 0.070 0.000 1.064 84 V CA -0.987 61.362 62.300 0.081 0.000 0.952 84 V CB 1.725 33.605 31.823 0.094 0.000 1.020 84 V HN 0.800 nan 8.190 nan 0.000 0.439 85 D N 2.654 123.084 120.400 0.050 0.000 2.434 85 D HA 0.185 4.825 4.640 -0.000 0.000 0.252 85 D C 1.181 177.512 176.300 0.051 0.000 1.185 85 D CA 0.725 54.744 54.000 0.032 0.000 0.886 85 D CB 1.894 42.700 40.800 0.010 0.000 1.148 85 D HN 0.975 nan 8.370 nan 0.000 0.483 86 A N 3.838 126.683 122.820 0.042 0.000 2.225 86 A HA -0.009 4.311 4.320 -0.000 0.000 0.215 86 A C 1.920 179.567 177.584 0.106 0.000 1.164 86 A CA 1.381 53.464 52.037 0.076 0.000 0.710 86 A CB -0.206 18.806 19.000 0.021 0.000 0.780 86 A HN 0.633 nan 8.150 nan 0.000 0.473 87 A N -0.542 122.304 122.820 0.043 0.000 2.206 87 A HA 0.085 4.404 4.320 -0.000 0.000 0.211 87 A C 1.369 178.996 177.584 0.072 0.000 1.158 87 A CA 1.100 53.132 52.037 -0.008 0.000 0.761 87 A CB -0.224 18.696 19.000 -0.133 0.000 0.801 87 A HN 0.771 nan 8.150 nan 0.000 0.473 88 Q N -1.718 118.152 119.800 0.116 0.000 2.052 88 Q HA 0.588 4.928 4.340 -0.000 0.000 0.250 88 Q C -0.151 175.939 176.000 0.149 0.000 0.851 88 Q CA 0.035 55.925 55.803 0.146 0.000 1.029 88 Q CB -0.315 28.479 28.738 0.094 0.000 1.274 88 Q HN 0.305 nan 8.270 nan 0.000 0.411 89 A N 1.094 124.021 122.820 0.179 0.000 2.264 89 A HA 0.846 5.166 4.320 -0.000 0.000 0.304 89 A C -0.517 177.199 177.584 0.219 0.000 1.100 89 A CA -0.495 51.655 52.037 0.188 0.000 0.839 89 A CB 0.940 20.065 19.000 0.209 0.000 1.121 89 A HN 0.266 nan 8.150 nan 0.000 0.496 90 R N 0.199 120.824 120.500 0.208 0.000 2.892 90 R HA 0.539 4.879 4.340 -0.000 0.000 0.265 90 R C -2.201 174.263 176.300 0.273 0.000 1.025 90 R CA -2.181 54.047 56.100 0.214 0.000 0.982 90 R CB 0.349 30.725 30.300 0.126 0.000 1.185 90 R HN 0.351 nan 8.270 nan 0.000 0.484 91 P HA -0.279 nan 4.420 nan 0.000 0.222 91 P C 0.467 177.992 177.300 0.375 0.000 1.154 91 P CA 2.007 65.348 63.100 0.403 0.000 0.874 91 P CB 0.170 32.103 31.700 0.388 0.000 0.787 92 S N -3.189 112.648 115.700 0.229 0.000 2.562 92 S HA 0.009 4.479 4.470 -0.000 0.000 0.221 92 S C 0.636 175.329 174.600 0.155 0.000 0.975 92 S CA 0.034 58.323 58.200 0.149 0.000 0.918 92 S CB -0.650 62.606 63.200 0.093 0.000 0.772 92 S HN 0.038 nan 8.310 nan 0.000 0.531 93 D N 2.472 122.998 120.400 0.211 0.000 2.348 93 D HA 0.354 4.994 4.640 -0.000 0.000 0.249 93 D C -0.548 175.912 176.300 0.266 0.000 1.110 93 D CA -0.325 53.798 54.000 0.206 0.000 0.967 93 D CB 0.319 41.236 40.800 0.194 0.000 1.139 93 D HN 0.051 nan 8.370 nan 0.000 0.466 94 N N 0.217 119.066 118.700 0.248 0.000 2.501 94 N HA 0.302 5.042 4.740 -0.000 0.000 0.245 94 N C -0.810 174.842 175.510 0.238 0.000 0.974 94 N CA -0.370 52.875 53.050 0.325 0.000 0.941 94 N CB 0.415 39.118 38.487 0.361 0.000 1.122 94 N HN 0.394 nan 8.380 nan 0.000 0.507 95 C N -0.288 119.129 119.300 0.196 0.000 2.889 95 C HA 0.691 5.151 4.460 -0.000 0.000 0.307 95 C C -0.099 174.880 174.990 -0.018 0.000 1.251 95 C CA -0.927 58.149 59.018 0.097 0.000 1.593 95 C CB 0.720 28.524 27.740 0.107 0.000 2.104 95 C HN 0.299 nan 8.230 nan 0.000 0.476 96 V N 2.773 122.673 119.914 -0.024 0.000 2.334 96 V HA 0.213 4.333 4.120 -0.000 0.000 0.267 96 V C 0.604 176.641 176.094 -0.096 0.000 1.040 96 V CA 0.076 62.346 62.300 -0.050 0.000 0.866 96 V CB 0.264 32.090 31.823 0.005 0.000 1.019 96 V HN 0.914 nan 8.190 nan 0.000 0.468 97 F N 4.014 123.738 119.950 -0.378 0.000 2.163 97 F HA 0.032 4.559 4.527 -0.000 0.000 0.297 97 F C 1.253 177.006 175.800 -0.079 0.000 1.094 97 F CA 1.130 58.883 58.000 -0.411 0.000 1.290 97 F CB 0.431 38.918 39.000 -0.854 0.000 1.017 97 F HN 0.591 nan 8.300 nan 0.000 0.483 98 S N -1.063 114.622 115.700 -0.026 0.000 2.565 98 S HA 0.679 5.149 4.470 -0.000 0.000 0.269 98 S C -1.458 173.200 174.600 0.098 0.000 1.153 98 S CA -0.791 57.407 58.200 -0.005 0.000 0.835 98 S CB 1.884 65.178 63.200 0.158 0.000 1.122 98 S HN -0.041 nan 8.310 nan 0.000 0.462 99 V N 1.943 121.897 119.914 0.067 0.000 2.655 99 V HA 0.720 4.840 4.120 -0.000 0.000 0.301 99 V C -0.550 175.583 176.094 0.064 0.000 1.082 99 V CA -0.317 62.030 62.300 0.079 0.000 0.899 99 V CB 1.225 33.072 31.823 0.041 0.000 1.014 99 V HN 1.175 nan 8.190 nan 0.000 0.429 100 E N 4.380 124.644 120.200 0.107 0.000 2.442 100 E HA 0.680 5.030 4.350 -0.000 0.000 0.271 100 E C -1.231 175.439 176.600 0.116 0.000 1.002 100 E CA -1.177 55.284 56.400 0.101 0.000 0.864 100 E CB 1.780 31.570 29.700 0.151 0.000 1.573 100 E HN 0.397 nan 8.360 nan 0.000 0.456 101 L N 1.588 122.887 121.223 0.127 0.000 2.499 101 L HA 0.179 4.519 4.340 -0.000 0.000 0.273 101 L C -0.479 176.475 176.870 0.140 0.000 1.195 101 L CA 0.460 55.368 54.840 0.114 0.000 0.882 101 L CB 0.676 42.808 42.059 0.120 0.000 1.133 101 L HN 0.600 nan 8.230 nan 0.000 0.483 102 Q N 4.952 124.821 119.800 0.115 0.000 2.368 102 Q HA 0.402 4.742 4.340 -0.000 0.000 0.256 102 Q C -1.119 174.949 176.000 0.114 0.000 0.980 102 Q CA -0.197 55.685 55.803 0.132 0.000 0.887 102 Q CB 0.537 29.348 28.738 0.123 0.000 1.221 102 Q HN 0.723 nan 8.270 nan 0.000 0.458 103 L N 6.437 127.746 121.223 0.143 0.000 2.543 103 L HA 0.191 4.531 4.340 -0.000 0.000 0.285 103 L C -1.643 175.307 176.870 0.133 0.000 1.236 103 L CA -1.149 53.777 54.840 0.144 0.000 0.871 103 L CB -0.006 42.175 42.059 0.204 0.000 1.121 103 L HN 0.605 nan 8.230 nan 0.000 0.501 104 P HA 0.261 nan 4.420 nan 0.000 0.281 104 P C -2.592 174.808 177.300 0.167 0.000 1.249 104 P CA -1.752 61.401 63.100 0.089 0.000 0.810 104 P CB 0.362 32.053 31.700 -0.015 0.000 1.008 105 P HA 0.038 nan 4.420 nan 0.000 0.267 105 P C 0.798 178.175 177.300 0.127 0.000 1.200 105 P CA -0.004 63.159 63.100 0.105 0.000 0.772 105 P CB 1.112 32.844 31.700 0.053 0.000 0.855 106 K N 2.099 122.534 120.400 0.058 0.000 2.148 106 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 106 K C 1.901 178.476 176.600 -0.042 0.000 1.050 106 K CA 1.356 57.587 56.287 -0.093 0.000 0.942 106 K CB -0.396 31.828 32.500 -0.459 0.000 0.724 106 K HN 0.503 nan 8.250 nan 0.000 0.446 107 A N 1.206 124.015 122.820 -0.018 0.000 1.845 107 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 107 A C 2.335 179.944 177.584 0.043 0.000 1.195 107 A CA 2.023 54.061 52.037 0.003 0.000 0.616 107 A CB -0.980 18.019 19.000 -0.001 0.000 0.832 107 A HN 0.437 nan 8.150 nan 0.000 0.443 108 A N -0.575 122.274 122.820 0.048 0.000 2.015 108 A HA 0.262 4.582 4.320 -0.000 0.000 0.219 108 A C 2.421 180.060 177.584 0.092 0.000 1.163 108 A CA 1.808 53.879 52.037 0.056 0.000 0.646 108 A CB -0.877 18.140 19.000 0.029 0.000 0.806 108 A HN 1.013 nan 8.150 nan 0.000 0.448 109 A N 0.263 123.159 122.820 0.127 0.000 1.845 109 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 109 A C 2.165 179.906 177.584 0.261 0.000 1.195 109 A CA 1.573 53.733 52.037 0.206 0.000 0.616 109 A CB -0.675 18.588 19.000 0.438 0.000 0.832 109 A HN 0.465 nan 8.150 nan 0.000 0.443 110 L N -0.888 120.481 121.223 0.243 0.000 1.994 110 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 110 L C 3.158 180.112 176.870 0.139 0.000 1.071 110 L CA 1.167 56.130 54.840 0.206 0.000 0.745 110 L CB -0.962 41.181 42.059 0.140 0.000 0.892 110 L HN 0.450 nan 8.230 nan 0.000 0.431 111 A N 0.049 122.934 122.820 0.108 0.000 1.915 111 A HA -0.371 3.949 4.320 -0.000 0.000 0.220 111 A C 2.138 179.778 177.584 0.094 0.000 1.198 111 A CA 2.565 54.653 52.037 0.084 0.000 0.647 111 A CB -1.135 17.908 19.000 0.071 0.000 0.825 111 A HN 0.632 nan 8.150 nan 0.000 0.456 112 H N -0.119 118.969 119.070 0.029 0.000 2.352 112 H HA -0.025 4.531 4.556 -0.000 0.000 0.299 112 H C 1.642 176.982 175.328 0.021 0.000 1.097 112 H CA 2.077 58.132 56.048 0.011 0.000 1.311 112 H CB -0.295 29.458 29.762 -0.015 0.000 1.377 112 H HN 0.394 nan 8.280 nan 0.000 0.504 113 L N -0.331 120.835 121.223 -0.095 0.000 2.240 113 L HA -0.030 4.310 4.340 -0.000 0.000 0.211 113 L C 1.387 178.219 176.870 -0.063 0.000 1.106 113 L CA 0.787 55.552 54.840 -0.125 0.000 0.793 113 L CB -0.142 41.955 42.059 0.063 0.000 0.927 113 L HN 0.339 nan 8.230 nan 0.000 0.446 114 D N -0.293 120.100 120.400 -0.011 0.000 2.799 114 D HA 0.025 4.665 4.640 -0.000 0.000 0.267 114 D C 2.124 178.418 176.300 -0.010 0.000 1.468 114 D CA 0.344 54.348 54.000 0.006 0.000 1.077 114 D CB -0.242 40.582 40.800 0.041 0.000 1.065 114 D HN -0.025 nan 8.370 nan 0.000 0.359 115 R N 0.247 120.750 120.500 0.006 0.000 2.103 115 R HA -0.034 4.306 4.340 -0.000 0.000 0.242 115 R C 1.409 177.701 176.300 -0.013 0.000 1.142 115 R CA 1.644 57.746 56.100 0.003 0.000 0.960 115 R CB -0.216 30.094 30.300 0.017 0.000 0.858 115 R HN 0.418 nan 8.270 nan 0.000 0.439 116 G N -0.749 108.032 108.800 -0.031 0.000 2.211 116 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.201 116 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.201 116 G C 0.159 175.067 174.900 0.014 0.000 0.997 116 G CA -0.012 45.053 45.100 -0.058 0.000 0.652 116 G HN 0.296 nan 8.290 nan 0.000 0.500 117 S N 2.445 118.173 115.700 0.046 0.000 2.540 117 S HA 0.322 4.792 4.470 -0.000 0.000 0.272 117 S C -1.658 173.029 174.600 0.146 0.000 1.357 117 S CA 0.531 58.777 58.200 0.077 0.000 1.011 117 S CB 0.442 63.681 63.200 0.064 0.000 0.852 117 S HN 0.476 nan 8.310 nan 0.000 0.535 118 P HA 0.166 nan 4.420 nan 0.000 0.271 118 P C -2.353 174.953 177.300 0.011 0.000 1.233 118 P CA -1.198 61.941 63.100 0.064 0.000 0.764 118 P CB -0.398 31.318 31.700 0.025 0.000 0.825 119 P HA 0.105 nan 4.420 nan 0.000 0.269 119 P C -2.062 175.133 177.300 -0.176 0.000 1.217 119 P CA -0.883 62.009 63.100 -0.346 0.000 0.783 119 P CB -0.747 30.452 31.700 -0.835 0.000 0.898 120 P HA 0.145 nan 4.420 nan 0.000 0.275 120 P C -0.551 176.702 177.300 -0.079 0.000 1.270 120 P CA -0.301 62.755 63.100 -0.073 0.000 0.791 120 P CB 0.284 31.956 31.700 -0.046 0.000 1.089 121 A N 1.111 123.917 122.820 -0.022 0.000 2.363 121 A HA 0.251 4.571 4.320 -0.000 0.000 0.270 121 A C 0.561 178.137 177.584 -0.014 0.000 1.121 121 A CA -0.487 51.549 52.037 -0.001 0.000 0.800 121 A CB -0.081 18.976 19.000 0.095 0.000 1.052 121 A HN 0.316 nan 8.150 nan 0.000 0.493 122 R N 2.316 122.783 120.500 -0.055 0.000 2.343 122 R HA 0.183 4.523 4.340 -0.000 0.000 0.326 122 R C -0.267 176.012 176.300 -0.035 0.000 1.055 122 R CA 0.447 56.508 56.100 -0.066 0.000 0.961 122 R CB 0.070 30.308 30.300 -0.103 0.000 0.978 122 R HN 0.833 nan 8.270 nan 0.000 0.443 123 E N 0.578 120.785 120.200 0.011 0.000 2.316 123 E HA 0.732 5.082 4.350 -0.000 0.000 0.258 123 E C -0.968 175.657 176.600 0.042 0.000 0.952 123 E CA -1.027 55.401 56.400 0.048 0.000 0.818 123 E CB 1.964 31.741 29.700 0.128 0.000 1.260 123 E HN 0.574 nan 8.360 nan 0.000 0.416 124 A N 1.073 123.929 122.820 0.060 0.000 2.449 124 A HA 0.563 4.883 4.320 -0.000 0.000 0.302 124 A C -1.797 175.858 177.584 0.118 0.000 1.048 124 A CA -0.600 51.482 52.037 0.074 0.000 0.708 124 A CB 1.066 20.089 19.000 0.038 0.000 1.274 124 A HN 0.365 nan 8.150 nan 0.000 0.410 125 L N 2.090 123.402 121.223 0.148 0.000 2.272 125 L HA 0.785 5.125 4.340 -0.000 0.000 0.289 125 L C 0.157 177.144 176.870 0.195 0.000 1.032 125 L CA -0.087 54.863 54.840 0.184 0.000 0.810 125 L CB 1.103 43.291 42.059 0.215 0.000 1.205 125 L HN 0.953 nan 8.230 nan 0.000 0.422 126 A N 6.498 129.434 122.820 0.193 0.000 2.331 126 A HA 0.731 5.051 4.320 -0.000 0.000 0.320 126 A C -0.690 177.022 177.584 0.212 0.000 1.138 126 A CA -0.521 51.628 52.037 0.185 0.000 0.790 126 A CB 0.544 19.636 19.000 0.153 0.000 1.206 126 A HN 0.676 nan 8.150 nan 0.000 0.470 127 I N 2.790 123.509 120.570 0.249 0.000 2.353 127 I HA 0.442 4.612 4.170 -0.000 0.000 0.293 127 I C -0.660 175.549 176.117 0.153 0.000 0.992 127 I CA -0.667 60.809 61.300 0.292 0.000 1.268 127 I CB 1.680 39.961 38.000 0.469 0.000 1.387 127 I HN 0.328 nan 8.210 nan 0.000 0.478 128 V N 6.231 126.179 119.914 0.058 0.000 2.735 128 V HA 0.447 4.567 4.120 -0.000 0.000 0.310 128 V C -0.404 175.649 176.094 -0.069 0.000 1.061 128 V CA -0.730 61.462 62.300 -0.180 0.000 0.913 128 V CB 1.999 33.532 31.823 -0.484 0.000 1.005 128 V HN 0.438 nan 8.190 nan 0.000 0.428 129 F N 2.938 122.782 119.950 -0.176 0.000 2.408 129 F HA 0.539 5.066 4.527 -0.000 0.000 0.344 129 F C -0.180 175.622 175.800 0.003 0.000 1.112 129 F CA -0.603 57.440 58.000 0.072 0.000 1.096 129 F CB 1.386 40.527 39.000 0.234 0.000 1.129 129 F HN 0.406 nan 8.300 nan 0.000 0.486 130 F N 1.710 121.907 119.950 0.411 0.000 2.366 130 F HA 0.250 4.777 4.527 -0.000 0.000 0.357 130 F C 1.024 176.721 175.800 -0.171 0.000 1.107 130 F CA -0.507 57.565 58.000 0.120 0.000 1.208 130 F CB 1.165 40.211 39.000 0.076 0.000 1.464 130 F HN 0.665 nan 8.300 nan 0.000 0.501 131 G N 0.945 109.799 108.800 0.091 0.000 2.744 131 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.211 131 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.211 131 G C 1.075 175.970 174.900 -0.008 0.000 1.146 131 G CA -0.199 44.826 45.100 -0.125 0.000 0.787 131 G HN 0.296 nan 8.290 nan 0.000 0.534 132 R N 1.455 122.004 120.500 0.081 0.000 4.556 132 R HA 0.276 4.616 4.340 -0.000 0.000 0.197 132 R C 0.043 176.345 176.300 0.002 0.000 1.791 132 R CA -0.121 56.012 56.100 0.054 0.000 1.526 132 R CB -1.032 29.320 30.300 0.086 0.000 1.410 132 R HN 0.567 nan 8.270 nan 0.000 0.826 133 Q N -0.572 119.212 119.800 -0.026 0.000 2.721 133 Q HA 0.248 4.588 4.340 -0.000 0.000 0.282 133 Q C -2.574 173.398 176.000 -0.047 0.000 0.932 133 Q CA -1.581 54.195 55.803 -0.046 0.000 0.816 133 Q CB 1.075 29.771 28.738 -0.070 0.000 1.506 133 Q HN -0.003 nan 8.270 nan 0.000 0.399 134 P HA -0.237 nan 4.420 nan 0.000 0.212 134 P C -0.222 177.058 177.300 -0.034 0.000 1.178 134 P CA 1.493 64.575 63.100 -0.029 0.000 0.915 134 P CB 0.196 31.883 31.700 -0.023 0.000 0.788 135 Q N 0.489 120.268 119.800 -0.034 0.000 2.655 135 Q HA 0.328 4.668 4.340 -0.000 0.000 0.228 135 Q C -2.310 173.662 176.000 -0.048 0.000 1.186 135 Q CA -2.076 53.710 55.803 -0.028 0.000 1.004 135 Q CB 0.529 29.262 28.738 -0.009 0.000 1.242 135 Q HN 0.282 nan 8.270 nan 0.000 0.558 136 P HA -0.067 nan 4.420 nan 0.000 0.266 136 P C -0.775 176.444 177.300 -0.136 0.000 1.195 136 P CA 0.215 63.153 63.100 -0.269 0.000 0.768 136 P CB 0.623 31.928 31.700 -0.658 0.000 0.838 137 N N 0.265 118.964 118.700 -0.002 0.000 2.972 137 N HA 0.592 5.332 4.740 -0.000 0.000 0.262 137 N C -1.634 174.090 175.510 0.357 0.000 1.478 137 N CA -0.943 52.231 53.050 0.207 0.000 0.841 137 N CB 0.989 39.582 38.487 0.177 0.000 1.512 137 N HN 0.101 nan 8.380 nan 0.000 0.548 138 V N -2.623 117.436 119.914 0.241 0.000 2.735 138 V HA 0.967 5.087 4.120 -0.000 0.000 0.310 138 V C -0.650 175.516 176.094 0.120 0.000 1.061 138 V CA -0.678 61.739 62.300 0.194 0.000 0.913 138 V CB 0.919 32.787 31.823 0.076 0.000 1.005 138 V HN 1.049 nan 8.190 nan 0.000 0.428 139 S N 1.666 117.445 115.700 0.132 0.000 2.546 139 S HA 0.677 5.147 4.470 -0.000 0.000 0.274 139 S C -1.050 173.656 174.600 0.177 0.000 1.121 139 S CA -0.903 57.389 58.200 0.154 0.000 0.887 139 S CB 1.955 65.310 63.200 0.258 0.000 1.094 139 S HN 0.842 nan 8.310 nan 0.000 0.474 140 E N 1.401 121.715 120.200 0.191 0.000 2.146 140 E HA 0.513 4.863 4.350 -0.000 0.000 0.282 140 E C -1.076 175.645 176.600 0.201 0.000 0.989 140 E CA -0.461 56.072 56.400 0.223 0.000 0.799 140 E CB 1.110 30.962 29.700 0.254 0.000 1.088 140 E HN 0.485 nan 8.360 nan 0.000 0.397 141 L N 2.944 124.289 121.223 0.204 0.000 2.362 141 L HA 0.521 4.861 4.340 -0.000 0.000 0.275 141 L C -0.582 176.404 176.870 0.192 0.000 0.998 141 L CA -1.276 53.684 54.840 0.201 0.000 0.820 141 L CB 1.688 43.883 42.059 0.227 0.000 1.270 141 L HN 0.232 nan 8.230 nan 0.000 0.415 142 V N 3.451 123.475 119.914 0.182 0.000 2.394 142 V HA 0.515 4.635 4.120 -0.000 0.000 0.282 142 V C 0.133 176.368 176.094 0.236 0.000 1.031 142 V CA -0.582 61.828 62.300 0.183 0.000 0.881 142 V CB 1.819 33.731 31.823 0.148 0.000 0.982 142 V HN 0.474 nan 8.190 nan 0.000 0.451 143 V N 3.113 123.135 119.914 0.180 0.000 2.864 143 V HA 1.071 5.190 4.120 -0.000 0.000 0.314 143 V C 0.532 176.545 176.094 -0.136 0.000 1.073 143 V CA 0.299 62.629 62.300 0.049 0.000 0.956 143 V CB 1.610 33.416 31.823 -0.028 0.000 1.023 143 V HN 1.243 nan 8.190 nan 0.000 0.435 144 G N 2.887 111.308 108.800 -0.630 0.000 2.345 144 G HA2 0.338 4.298 3.960 -0.000 0.000 0.285 144 G HA3 0.338 4.298 3.960 -0.000 0.000 0.285 144 G C -3.484 170.598 174.900 -1.363 0.000 1.297 144 G CA -0.530 44.105 45.100 -0.775 0.000 0.875 144 G HN 0.563 nan 8.290 nan 0.000 0.506 145 P HA 0.494 nan 4.420 nan 0.000 0.292 145 P C 0.074 177.195 177.300 -0.299 0.000 1.287 145 P CA -0.321 62.531 63.100 -0.413 0.000 0.800 145 P CB 1.514 33.097 31.700 -0.195 0.000 0.945 146 L N 5.683 126.763 121.223 -0.237 0.000 2.473 146 L HA 0.117 4.457 4.340 -0.000 0.000 0.268 146 L C -0.310 176.421 176.870 -0.232 0.000 1.215 146 L CA -1.268 53.438 54.840 -0.223 0.000 0.823 146 L CB 0.041 41.994 42.059 -0.176 0.000 1.099 146 L HN 0.340 nan 8.230 nan 0.000 0.483 147 P HA -0.075 nan 4.420 nan 0.000 0.231 147 P C -0.031 177.015 177.300 -0.423 0.000 1.168 147 P CA 0.969 63.826 63.100 -0.406 0.000 0.779 147 P CB 0.311 31.705 31.700 -0.511 0.000 0.844 148 H N 1.000 120.000 119.070 -0.116 0.000 2.700 148 H HA 0.418 4.974 4.556 -0.000 0.000 0.269 148 H C -2.305 172.903 175.328 -0.199 0.000 1.222 148 H CA -2.881 53.099 56.048 -0.113 0.000 1.254 148 H CB 0.163 29.881 29.762 -0.073 0.000 1.413 148 H HN 0.165 nan 8.280 nan 0.000 0.507 149 P HA 0.003 nan 4.420 nan 0.000 0.271 149 P C 0.677 177.687 177.300 -0.483 0.000 1.233 149 P CA 0.268 63.038 63.100 -0.550 0.000 0.789 149 P CB 1.192 32.401 31.700 -0.819 0.000 0.951 150 S N -1.178 114.127 115.700 -0.657 0.000 3.369 150 S HA 0.087 4.557 4.470 -0.000 0.000 0.251 150 S C 0.342 174.935 174.600 -0.011 0.000 1.093 150 S CA -0.275 57.831 58.200 -0.158 0.000 0.952 150 S CB -0.561 62.597 63.200 -0.070 0.000 0.965 150 S HN 0.427 nan 8.310 nan 0.000 0.436 151 Y N 1.865 122.122 120.300 -0.072 0.000 2.453 151 Y HA 0.868 5.418 4.550 -0.000 0.000 0.344 151 Y C -0.074 175.852 175.900 0.044 0.000 1.323 151 Y CA -1.587 56.547 58.100 0.055 0.000 1.526 151 Y CB 0.289 38.764 38.460 0.025 0.000 1.603 151 Y HN 0.503 nan 8.280 nan 0.000 0.563 152 M N 1.221 121.151 119.600 0.550 0.000 2.635 152 M HA 0.396 4.876 4.480 -0.000 0.000 0.283 152 M C -2.315 174.161 176.300 0.293 0.000 1.014 152 M CA -0.532 55.024 55.300 0.427 0.000 0.850 152 M CB 1.852 34.766 32.600 0.524 0.000 1.798 152 M HN 1.029 nan 8.290 nan 0.000 0.552 153 R N 2.660 123.292 120.500 0.220 0.000 2.603 153 R HA 0.305 4.645 4.340 -0.000 0.000 0.280 153 R C -1.621 174.759 176.300 0.133 0.000 1.185 153 R CA -0.860 55.322 56.100 0.138 0.000 1.039 153 R CB 1.206 31.535 30.300 0.049 0.000 1.247 153 R HN 0.764 nan 8.270 nan 0.000 0.413 154 D N 2.938 123.422 120.400 0.140 0.000 2.478 154 D HA 0.007 4.647 4.640 -0.000 0.000 0.234 154 D C 0.639 177.002 176.300 0.105 0.000 1.154 154 D CA 0.452 54.539 54.000 0.144 0.000 0.874 154 D CB 1.482 42.370 40.800 0.145 0.000 1.198 154 D HN 0.499 nan 8.370 nan 0.000 0.455 155 V N -0.410 119.569 119.914 0.109 0.000 3.432 155 V HA 0.056 4.176 4.120 -0.000 0.000 0.290 155 V C 1.780 177.912 176.094 0.063 0.000 1.591 155 V CA 0.248 62.591 62.300 0.071 0.000 1.069 155 V CB -0.149 31.718 31.823 0.073 0.000 0.892 155 V HN 0.530 nan 8.190 nan 0.000 0.436 156 T N 3.273 117.897 114.554 0.116 0.000 2.544 156 T HA -0.245 4.105 4.350 -0.000 0.000 0.264 156 T C 2.034 176.804 174.700 0.117 0.000 1.096 156 T CA 3.062 65.261 62.100 0.166 0.000 1.181 156 T CB -0.600 68.355 68.868 0.144 0.000 0.864 156 T HN 0.870 nan 8.240 nan 0.000 0.415 157 V N 1.058 121.019 119.914 0.079 0.000 2.332 157 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 157 V C 2.321 178.421 176.094 0.009 0.000 1.055 157 V CA 2.352 64.683 62.300 0.052 0.000 1.038 157 V CB -0.989 30.862 31.823 0.046 0.000 0.651 157 V HN 0.531 nan 8.190 nan 0.000 0.450 158 E N 0.449 120.646 120.200 -0.006 0.000 2.110 158 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 158 E C 2.406 178.948 176.600 -0.095 0.000 0.988 158 E CA 1.530 57.910 56.400 -0.033 0.000 0.804 158 E CB -0.003 29.686 29.700 -0.018 0.000 0.745 158 E HN 0.655 nan 8.360 nan 0.000 0.458 159 R N -1.239 119.141 120.500 -0.201 0.000 2.189 159 R HA 0.069 4.409 4.340 -0.000 0.000 0.203 159 R C 1.024 176.925 176.300 -0.664 0.000 1.012 159 R CA 0.601 56.424 56.100 -0.461 0.000 1.015 159 R CB 0.294 30.192 30.300 -0.669 0.000 0.938 159 R HN 0.256 nan 8.270 nan 0.000 0.472 160 H N -1.275 117.807 119.070 0.019 0.000 2.567 160 H HA 0.293 4.849 4.556 -0.000 0.000 0.267 160 H C 1.113 176.446 175.328 0.008 0.000 1.148 160 H CA 0.508 56.561 56.048 0.009 0.000 1.031 160 H CB 1.348 31.091 29.762 -0.032 0.000 1.691 160 H HN 0.427 nan 8.280 nan 0.000 0.588 161 G N 0.554 109.380 108.800 0.042 0.000 2.507 161 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.240 161 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.240 161 G C 0.698 175.624 174.900 0.043 0.000 1.119 161 G CA 0.479 45.603 45.100 0.039 0.000 0.664 161 G HN 0.855 nan 8.290 nan 0.000 0.516 162 G N -0.210 108.627 108.800 0.062 0.000 2.731 162 G HA2 0.753 4.713 3.960 -0.000 0.000 0.309 162 G HA3 0.753 4.713 3.960 -0.000 0.000 0.309 162 G C -3.151 171.782 174.900 0.056 0.000 1.273 162 G CA 0.118 45.249 45.100 0.051 0.000 0.798 162 G HN 0.471 nan 8.290 nan 0.000 0.509 163 P HA 0.279 nan 4.420 nan 0.000 0.275 163 P C -0.438 176.862 177.300 -0.001 0.000 1.227 163 P CA -0.095 63.029 63.100 0.040 0.000 0.781 163 P CB 1.330 33.059 31.700 0.049 0.000 0.906 164 L N 5.275 126.470 121.223 -0.047 0.000 2.295 164 L HA 0.249 4.589 4.340 -0.000 0.000 0.288 164 L C -1.929 174.890 176.870 -0.085 0.000 1.079 164 L CA -2.031 52.704 54.840 -0.174 0.000 0.830 164 L CB 0.390 42.204 42.059 -0.409 0.000 1.200 164 L HN 0.177 nan 8.230 nan 0.000 0.438 165 P HA -0.171 nan 4.420 nan 0.000 0.266 165 P C 0.053 177.374 177.300 0.035 0.000 1.186 165 P CA 0.313 63.446 63.100 0.055 0.000 0.767 165 P CB 0.412 32.175 31.700 0.104 0.000 0.820 166 Y N 2.735 123.033 120.300 -0.004 0.000 2.439 166 Y HA -0.192 4.358 4.550 -0.000 0.000 0.292 166 Y C 2.312 178.159 175.900 -0.088 0.000 1.130 166 Y CA 1.550 59.609 58.100 -0.069 0.000 1.254 166 Y CB -0.526 37.932 38.460 -0.003 0.000 1.000 166 Y HN 0.511 nan 8.280 nan 0.000 0.554 167 H N -1.415 117.628 119.070 -0.045 0.000 2.546 167 H HA 0.063 4.619 4.556 -0.000 0.000 0.277 167 H C 1.637 176.889 175.328 -0.127 0.000 1.004 167 H CA 0.885 56.868 56.048 -0.108 0.000 1.231 167 H CB -0.259 29.480 29.762 -0.039 0.000 1.382 167 H HN 0.302 nan 8.280 nan 0.000 0.580 168 R N 0.964 121.123 120.500 -0.568 0.000 2.153 168 R HA 0.029 4.369 4.340 -0.000 0.000 0.218 168 R C 1.090 177.244 176.300 -0.243 0.000 1.072 168 R CA -0.054 55.816 56.100 -0.384 0.000 0.990 168 R CB 0.118 30.221 30.300 -0.327 0.000 0.889 168 R HN 0.258 nan 8.270 nan 0.000 0.452 169 R N 3.414 123.671 120.500 -0.405 0.000 2.523 169 R HA -0.012 4.328 4.340 -0.000 0.000 0.281 169 R C -2.263 173.730 176.300 -0.512 0.000 0.969 169 R CA -0.875 54.837 56.100 -0.648 0.000 1.093 169 R CB 0.151 29.632 30.300 -1.365 0.000 0.917 169 R HN -0.079 nan 8.270 nan 0.000 0.408 170 P HA -0.041 nan 4.420 nan 0.000 0.269 170 P C -0.447 176.744 177.300 -0.181 0.000 1.215 170 P CA -0.245 62.682 63.100 -0.287 0.000 0.780 170 P CB 0.666 32.203 31.700 -0.271 0.000 0.898 171 V N 3.969 123.799 119.914 -0.141 0.000 2.446 171 V HA -0.024 4.096 4.120 -0.000 0.000 0.276 171 V C 1.310 177.437 176.094 0.055 0.000 1.030 171 V CA 0.078 62.268 62.300 -0.184 0.000 1.033 171 V CB -0.624 30.867 31.823 -0.553 0.000 0.993 171 V HN 0.394 nan 8.190 nan 0.000 0.477 172 L N 3.897 125.229 121.223 0.180 0.000 2.479 172 L HA 0.073 4.413 4.340 -0.000 0.000 0.270 172 L C 1.395 178.528 176.870 0.439 0.000 1.236 172 L CA 0.196 55.280 54.840 0.407 0.000 0.823 172 L CB 0.085 42.388 42.059 0.407 0.000 1.098 172 L HN 0.705 nan 8.230 nan 0.000 0.500 173 F N 0.724 120.892 119.950 0.365 0.000 2.075 173 F HA -0.293 4.234 4.527 -0.000 0.000 0.297 173 F C 2.518 178.508 175.800 0.317 0.000 1.113 173 F CA 1.843 60.060 58.000 0.361 0.000 1.218 173 F CB -0.025 39.107 39.000 0.220 0.000 0.984 173 F HN 0.594 nan 8.300 nan 0.000 0.472 174 Q N 1.137 121.314 119.800 0.628 0.000 2.077 174 Q HA -0.305 4.035 4.340 -0.000 0.000 0.206 174 Q C 2.171 178.330 176.000 0.266 0.000 0.989 174 Q CA 2.421 58.488 55.803 0.440 0.000 0.853 174 Q CB -0.750 28.205 28.738 0.361 0.000 0.907 174 Q HN 0.664 nan 8.270 nan 0.000 0.418 175 E N -1.512 118.831 120.200 0.238 0.000 2.130 175 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 175 E C 1.683 178.302 176.600 0.032 0.000 0.998 175 E CA 1.405 57.904 56.400 0.164 0.000 0.806 175 E CB -0.225 29.496 29.700 0.034 0.000 0.738 175 E HN 0.587 nan 8.360 nan 0.000 0.459 176 Y N 0.372 120.694 120.300 0.036 0.000 2.163 176 Y HA -0.189 4.361 4.550 -0.000 0.000 0.288 176 Y C 2.267 178.138 175.900 -0.049 0.000 1.136 176 Y CA 1.145 59.226 58.100 -0.031 0.000 1.147 176 Y CB -0.116 38.298 38.460 -0.077 0.000 0.987 176 Y HN 0.049 nan 8.280 nan 0.000 0.509 177 L N -0.351 120.922 121.223 0.083 0.000 2.013 177 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 177 L C 1.933 178.852 176.870 0.081 0.000 1.073 177 L CA 1.472 56.331 54.840 0.032 0.000 0.753 177 L CB -0.748 41.334 42.059 0.038 0.000 0.890 177 L HN 0.237 nan 8.230 nan 0.000 0.432 178 D N 0.477 120.971 120.400 0.156 0.000 2.158 178 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 178 D C 2.260 178.714 176.300 0.258 0.000 0.995 178 D CA 1.374 55.499 54.000 0.208 0.000 0.846 178 D CB -0.151 40.842 40.800 0.322 0.000 0.941 178 D HN 0.376 nan 8.370 nan 0.000 0.456 179 I N 1.403 122.095 120.570 0.202 0.000 2.113 179 I HA -0.247 3.923 4.170 -0.000 0.000 0.238 179 I C 1.912 178.020 176.117 -0.015 0.000 1.070 179 I CA 1.169 62.471 61.300 0.004 0.000 1.332 179 I CB -0.271 37.544 38.000 -0.307 0.000 1.044 179 I HN -0.097 nan 8.210 nan 0.000 0.402 180 D N 0.458 120.859 120.400 0.002 0.000 2.123 180 D HA -0.261 4.379 4.640 -0.000 0.000 0.196 180 D C 1.966 178.338 176.300 0.119 0.000 0.992 180 D CA 1.356 55.393 54.000 0.062 0.000 0.833 180 D CB -0.478 40.265 40.800 -0.095 0.000 0.954 180 D HN 0.365 nan 8.370 nan 0.000 0.455 181 Q N 0.803 120.641 119.800 0.063 0.000 2.029 181 Q HA -0.195 4.145 4.340 -0.000 0.000 0.209 181 Q C 2.142 178.201 176.000 0.099 0.000 0.999 181 Q CA 1.678 57.522 55.803 0.069 0.000 0.857 181 Q CB -0.510 28.261 28.738 0.054 0.000 0.926 181 Q HN 0.325 nan 8.270 nan 0.000 0.415 182 M N -0.908 118.750 119.600 0.097 0.000 2.279 182 M HA -0.101 4.379 4.480 -0.000 0.000 0.264 182 M C 1.444 177.782 176.300 0.064 0.000 1.062 182 M CA 1.295 56.646 55.300 0.085 0.000 1.099 182 M CB 0.034 32.713 32.600 0.131 0.000 1.394 182 M HN 0.396 nan 8.290 nan 0.000 0.426 183 I N -0.717 119.905 120.570 0.086 0.000 2.260 183 I HA -0.184 3.986 4.170 -0.000 0.000 0.237 183 I C 1.669 177.807 176.117 0.036 0.000 1.075 183 I CA 0.928 62.246 61.300 0.031 0.000 1.376 183 I CB -0.502 37.513 38.000 0.025 0.000 1.107 183 I HN 0.126 nan 8.210 nan 0.000 0.420 184 F N 1.421 121.348 119.950 -0.038 0.000 2.451 184 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 184 F C 1.946 177.780 175.800 0.058 0.000 1.101 184 F CA 1.184 59.194 58.000 0.018 0.000 1.436 184 F CB -0.875 38.149 39.000 0.040 0.000 1.074 184 F HN 0.176 nan 8.300 nan 0.000 0.553 185 N N -0.585 118.234 118.700 0.198 0.000 2.523 185 N HA 0.071 4.811 4.740 -0.000 0.000 0.209 185 N C 1.766 177.319 175.510 0.072 0.000 1.039 185 N CA 0.089 53.212 53.050 0.122 0.000 1.002 185 N CB 0.080 38.622 38.487 0.092 0.000 1.270 185 N HN 0.012 nan 8.380 nan 0.000 0.481 186 R N 0.712 121.241 120.500 0.049 0.000 2.100 186 R HA 0.098 4.438 4.340 -0.000 0.000 0.220 186 R C 1.389 177.689 176.300 0.001 0.000 1.091 186 R CA 0.820 56.935 56.100 0.025 0.000 0.986 186 R CB 0.121 30.434 30.300 0.022 0.000 0.888 186 R HN 0.261 nan 8.270 nan 0.000 0.444 187 E N 1.101 121.290 120.200 -0.019 0.000 2.033 187 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 187 E C 2.177 178.698 176.600 -0.132 0.000 0.960 187 E CA 0.506 56.864 56.400 -0.070 0.000 0.842 187 E CB -0.544 29.105 29.700 -0.085 0.000 0.816 187 E HN 0.122 nan 8.360 nan 0.000 0.468 188 L N 1.281 122.369 121.223 -0.224 0.000 2.151 188 L HA -0.211 4.129 4.340 -0.000 0.000 0.215 188 L C -0.557 176.133 176.870 -0.299 0.000 1.084 188 L CA 1.515 56.116 54.840 -0.399 0.000 0.764 188 L CB -1.707 39.946 42.059 -0.677 0.000 0.891 188 L HN 0.150 nan 8.230 nan 0.000 0.435 189 P HA -0.191 nan 4.420 nan 0.000 0.216 189 P C 1.348 178.645 177.300 -0.005 0.000 1.150 189 P CA 1.178 64.314 63.100 0.061 0.000 0.837 189 P CB -0.038 31.716 31.700 0.090 0.000 0.786 190 Q N -1.174 118.597 119.800 -0.048 0.000 2.515 190 Q HA -0.040 4.300 4.340 -0.000 0.000 0.215 190 Q C 1.095 177.045 176.000 -0.083 0.000 0.983 190 Q CA 1.117 56.891 55.803 -0.049 0.000 0.905 190 Q CB -0.314 28.392 28.738 -0.053 0.000 0.961 190 Q HN 0.196 nan 8.270 nan 0.000 0.503 191 A N -0.799 121.933 122.820 -0.147 0.000 2.605 191 A HA 0.237 4.557 4.320 -0.000 0.000 0.292 191 A C 1.278 178.725 177.584 -0.229 0.000 1.055 191 A CA -0.335 51.575 52.037 -0.211 0.000 0.969 191 A CB 0.487 19.296 19.000 -0.317 0.000 1.236 191 A HN 0.074 nan 8.150 nan 0.000 0.534 192 S N 0.166 115.808 115.700 -0.097 0.000 2.387 192 S HA -0.158 4.312 4.470 -0.000 0.000 0.230 192 S C 2.110 176.742 174.600 0.054 0.000 1.035 192 S CA 1.799 59.999 58.200 -0.001 0.000 1.014 192 S CB -0.271 63.034 63.200 0.176 0.000 0.836 192 S HN 0.833 nan 8.310 nan 0.000 0.466 193 G N 2.145 110.995 108.800 0.084 0.000 2.491 193 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 193 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 193 G C 1.379 176.174 174.900 -0.176 0.000 1.180 193 G CA 1.198 46.374 45.100 0.127 0.000 0.774 193 G HN 0.452 nan 8.290 nan 0.000 0.562 194 L N 0.766 121.612 121.223 -0.628 0.000 2.017 194 L HA 0.056 4.396 4.340 -0.000 0.000 0.208 194 L C 2.735 179.230 176.870 -0.624 0.000 1.073 194 L CA 1.433 55.492 54.840 -1.301 0.000 0.745 194 L CB -0.831 40.552 42.059 -1.127 0.000 0.894 194 L HN 0.258 nan 8.230 nan 0.000 0.432 195 L N -1.035 119.932 121.223 -0.428 0.000 1.989 195 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 195 L C 2.682 179.533 176.870 -0.031 0.000 1.071 195 L CA 1.421 56.087 54.840 -0.289 0.000 0.749 195 L CB -1.179 40.622 42.059 -0.430 0.000 0.890 195 L HN 0.396 nan 8.230 nan 0.000 0.431 196 H N -1.531 117.583 119.070 0.073 0.000 2.518 196 H HA -0.200 4.356 4.556 -0.000 0.000 0.294 196 H C 1.948 177.387 175.328 0.185 0.000 1.083 196 H CA 1.639 57.779 56.048 0.152 0.000 1.264 196 H CB -0.098 29.737 29.762 0.123 0.000 1.370 196 H HN 0.459 nan 8.280 nan 0.000 0.560 197 H N -0.255 118.887 119.070 0.120 0.000 2.298 197 H HA -0.049 4.507 4.556 -0.000 0.000 0.331 197 H C 2.729 178.178 175.328 0.201 0.000 1.161 197 H CA 1.935 58.068 56.048 0.142 0.000 1.711 197 H CB -0.747 29.054 29.762 0.065 0.000 1.512 197 H HN 0.299 nan 8.280 nan 0.000 0.604 198 C N 0.198 119.511 119.300 0.022 0.000 2.363 198 C HA -0.215 4.245 4.460 -0.000 0.000 0.274 198 C C 2.557 177.487 174.990 -0.099 0.000 1.183 198 C CA 1.035 60.038 59.018 -0.025 0.000 1.771 198 C CB -1.482 26.238 27.740 -0.032 0.000 2.059 198 C HN 0.670 nan 8.230 nan 0.000 0.455 199 C N -1.021 118.208 119.300 -0.119 0.000 2.974 199 C HA 0.494 4.954 4.460 -0.000 0.000 0.282 199 C C 1.040 176.011 174.990 -0.032 0.000 1.292 199 C CA -0.354 58.508 59.018 -0.261 0.000 1.710 199 C CB -2.339 25.208 27.740 -0.322 0.000 2.036 199 C HN 0.741 nan 8.230 nan 0.000 0.629 200 F N -1.910 118.115 119.950 0.126 0.000 3.074 200 F HA -0.243 4.284 4.527 -0.000 0.000 0.289 200 F C 0.668 176.567 175.800 0.165 0.000 0.863 200 F CA -0.386 57.706 58.000 0.153 0.000 1.121 200 F CB -2.103 37.001 39.000 0.174 0.000 1.169 200 F HN 0.390 nan 8.300 nan 0.000 0.570 201 Y N 3.223 123.569 120.300 0.077 0.000 2.702 201 Y HA 0.275 4.825 4.550 -0.000 0.000 0.336 201 Y C 0.497 176.361 175.900 -0.060 0.000 1.235 201 Y CA 0.065 58.108 58.100 -0.095 0.000 1.492 201 Y CB 0.502 38.764 38.460 -0.331 0.000 1.308 201 Y HN 0.071 nan 8.280 nan 0.000 0.589 202 K N 3.629 123.831 120.400 -0.330 0.000 2.443 202 K HA 0.125 4.445 4.320 -0.000 0.000 0.251 202 K C 0.370 176.823 176.600 -0.245 0.000 0.972 202 K CA -0.861 55.351 56.287 -0.125 0.000 0.833 202 K CB 1.142 33.699 32.500 0.095 0.000 1.317 202 K HN 0.759 nan 8.250 nan 0.000 0.441 203 H N 1.934 120.922 119.070 -0.137 0.000 2.570 203 H HA 0.005 4.561 4.556 -0.000 0.000 0.280 203 H C 0.497 175.759 175.328 -0.110 0.000 1.038 203 H CA 1.143 57.123 56.048 -0.114 0.000 1.186 203 H CB 0.058 29.812 29.762 -0.013 0.000 1.339 203 H HN 0.436 nan 8.280 nan 0.000 0.615 204 R N -0.217 120.166 120.500 -0.195 0.000 2.140 204 R HA 0.282 4.622 4.340 -0.000 0.000 0.200 204 R C 0.440 176.667 176.300 -0.121 0.000 1.069 204 R CA 0.554 56.519 56.100 -0.224 0.000 1.088 204 R CB 0.517 30.750 30.300 -0.111 0.000 1.012 204 R HN 0.448 nan 8.270 nan 0.000 0.500 205 G N 1.296 110.036 108.800 -0.100 0.000 2.690 205 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 205 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 205 G C -0.589 174.406 174.900 0.157 0.000 1.277 205 G CA -0.464 44.662 45.100 0.043 0.000 0.799 205 G HN 0.212 nan 8.290 nan 0.000 0.613 206 R N -0.661 120.067 120.500 0.381 0.000 3.776 206 R HA -0.185 4.155 4.340 -0.000 0.000 0.312 206 R C 1.240 177.670 176.300 0.217 0.000 1.181 206 R CA 1.366 57.616 56.100 0.250 0.000 0.836 206 R CB -2.399 27.858 30.300 -0.072 0.000 1.324 206 R HN 1.445 nan 8.270 nan 0.000 0.501 207 N N 0.464 119.329 118.700 0.276 0.000 2.398 207 N HA -0.006 4.734 4.740 -0.000 0.000 0.188 207 N C 0.308 175.965 175.510 0.244 0.000 1.122 207 N CA 0.220 53.406 53.050 0.228 0.000 0.866 207 N CB 0.441 39.075 38.487 0.246 0.000 0.970 207 N HN 0.358 nan 8.380 nan 0.000 0.462 208 L N 0.572 121.966 121.223 0.284 0.000 2.333 208 L HA 0.612 4.952 4.340 -0.000 0.000 0.263 208 L C -0.325 176.713 176.870 0.281 0.000 1.014 208 L CA -1.339 53.620 54.840 0.198 0.000 0.820 208 L CB 2.217 44.299 42.059 0.039 0.000 1.352 208 L HN -0.135 nan 8.230 nan 0.000 0.421 209 V N -2.301 117.660 119.914 0.080 0.000 3.130 209 V HA 0.864 4.984 4.120 -0.000 0.000 0.310 209 V C -0.359 175.742 176.094 0.011 0.000 1.158 209 V CA -0.578 61.688 62.300 -0.058 0.000 1.029 209 V CB 1.840 33.342 31.823 -0.534 0.000 1.057 209 V HN 0.869 nan 8.190 nan 0.000 0.436 210 T N -0.142 114.437 114.554 0.041 0.000 2.932 210 T HA 0.798 5.148 4.350 -0.000 0.000 0.289 210 T C -0.639 174.184 174.700 0.206 0.000 1.039 210 T CA -0.621 61.608 62.100 0.215 0.000 1.024 210 T CB 1.928 70.984 68.868 0.313 0.000 1.090 210 T HN 1.137 nan 8.240 nan 0.000 0.496 211 M N 2.385 122.220 119.600 0.392 0.000 2.267 211 M HA 0.391 4.871 4.480 -0.000 0.000 0.289 211 M C -0.117 176.333 176.300 0.249 0.000 1.043 211 M CA -0.492 55.001 55.300 0.321 0.000 0.928 211 M CB 2.238 35.019 32.600 0.302 0.000 1.613 211 M HN 0.983 nan 8.290 nan 0.000 0.450 212 T N 2.399 117.030 114.554 0.129 0.000 2.748 212 T HA 0.584 4.934 4.350 -0.000 0.000 0.304 212 T C -0.036 174.687 174.700 0.037 0.000 1.041 212 T CA 0.415 62.386 62.100 -0.215 0.000 1.033 212 T CB 0.493 69.468 68.868 0.178 0.000 0.995 212 T HN 0.875 nan 8.240 nan 0.000 0.536 213 T N -0.858 113.670 114.554 -0.043 0.000 2.754 213 T HA 0.821 5.171 4.350 -0.000 0.000 0.296 213 T C -1.030 173.702 174.700 0.053 0.000 1.205 213 T CA -0.497 61.613 62.100 0.016 0.000 1.009 213 T CB 1.354 70.150 68.868 -0.121 0.000 1.368 213 T HN 1.107 nan 8.240 nan 0.000 0.509 214 A N 0.816 123.554 122.820 -0.136 0.000 2.608 214 A HA 0.893 5.213 4.320 -0.000 0.000 0.292 214 A C -3.144 174.400 177.584 -0.065 0.000 1.066 214 A CA -1.533 50.517 52.037 0.021 0.000 0.676 214 A CB 0.976 20.122 19.000 0.243 0.000 1.277 214 A HN 0.727 nan 8.150 nan 0.000 0.413 215 P HA 0.289 nan 4.420 nan 0.000 0.286 215 P C -1.032 176.381 177.300 0.188 0.000 1.293 215 P CA -0.239 62.893 63.100 0.054 0.000 0.770 215 P CB 0.449 32.039 31.700 -0.183 0.000 1.206 216 R N 0.319 120.971 120.500 0.253 0.000 2.280 216 R HA 0.596 4.936 4.340 -0.000 0.000 0.326 216 R C 0.880 177.362 176.300 0.304 0.000 1.080 216 R CA -0.194 56.050 56.100 0.239 0.000 1.002 216 R CB -0.385 29.997 30.300 0.136 0.000 1.136 216 R HN 0.937 nan 8.270 nan 0.000 0.509 217 G N 0.696 109.677 108.800 0.301 0.000 2.342 217 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.220 217 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.220 217 G C -0.156 174.855 174.900 0.185 0.000 1.243 217 G CA -0.740 44.455 45.100 0.160 0.000 1.083 217 G HN 0.413 nan 8.290 nan 0.000 0.500 218 L N 0.519 121.622 121.223 -0.200 0.000 2.902 218 L HA 0.381 4.721 4.340 -0.000 0.000 0.254 218 L C 0.947 177.317 176.870 -0.834 0.000 1.115 218 L CA 0.725 55.433 54.840 -0.220 0.000 0.947 218 L CB 0.535 42.539 42.059 -0.091 0.000 1.369 218 L HN 0.850 nan 8.230 nan 0.000 0.538 219 Q N -1.303 117.717 119.800 -1.301 0.000 2.511 219 Q HA 0.364 4.704 4.340 -0.000 0.000 0.289 219 Q C -0.759 174.481 176.000 -1.267 0.000 1.021 219 Q CA -0.652 54.311 55.803 -1.399 0.000 0.785 219 Q CB 1.879 30.255 28.738 -0.604 0.000 1.472 219 Q HN -0.135 nan 8.270 nan 0.000 0.411 220 S N -0.739 114.581 115.700 -0.632 0.000 2.563 220 S HA 0.366 4.836 4.470 -0.000 0.000 0.294 220 S C 1.025 175.542 174.600 -0.139 0.000 1.279 220 S CA 1.738 59.914 58.200 -0.041 0.000 1.069 220 S CB -0.502 62.782 63.200 0.141 0.000 0.828 220 S HN 1.197 nan 8.310 nan 0.000 0.497 221 G N 4.186 112.958 108.800 -0.047 0.000 2.218 221 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 221 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 221 G C -0.221 174.437 174.900 -0.404 0.000 0.994 221 G CA 0.050 44.752 45.100 -0.662 0.000 0.637 221 G HN 0.660 nan 8.290 nan 0.000 0.505 222 D N -0.441 119.857 120.400 -0.170 0.000 2.411 222 D HA 0.712 5.352 4.640 -0.000 0.000 0.251 222 D C 0.914 177.196 176.300 -0.030 0.000 1.201 222 D CA -0.060 53.859 54.000 -0.135 0.000 0.996 222 D CB 0.810 41.494 40.800 -0.193 0.000 1.101 222 D HN 0.230 nan 8.370 nan 0.000 0.504 223 R N -0.543 119.860 120.500 -0.161 0.000 2.485 223 R HA 0.445 4.785 4.340 -0.000 0.000 0.235 223 R C -1.671 174.277 176.300 -0.587 0.000 1.306 223 R CA -0.126 55.758 56.100 -0.360 0.000 1.397 223 R CB 0.430 30.443 30.300 -0.478 0.000 1.416 223 R HN 0.370 nan 8.270 nan 0.000 0.781 224 A N 0.904 123.594 122.820 -0.217 0.000 2.277 224 A HA 0.609 4.929 4.320 -0.000 0.000 0.318 224 A C -0.496 177.131 177.584 0.072 0.000 1.339 224 A CA -0.351 51.621 52.037 -0.108 0.000 0.875 224 A CB 0.882 19.825 19.000 -0.096 0.000 1.158 224 A HN 0.237 nan 8.150 nan 0.000 0.514 225 T N 1.873 116.588 114.554 0.270 0.000 2.824 225 T HA 0.416 4.766 4.350 -0.000 0.000 0.280 225 T C -0.654 174.207 174.700 0.269 0.000 0.995 225 T CA -0.029 62.239 62.100 0.281 0.000 1.009 225 T CB 0.624 69.667 68.868 0.292 0.000 0.955 225 T HN 0.600 nan 8.240 nan 0.000 0.452 226 W N 2.518 123.864 121.300 0.077 0.000 2.322 226 W HA 0.554 5.214 4.660 -0.000 0.000 0.307 226 W C -0.852 175.685 176.519 0.031 0.000 1.220 226 W CA -0.728 56.702 57.345 0.141 0.000 1.210 226 W CB 0.559 30.050 29.460 0.053 0.000 1.223 226 W HN 0.486 nan 8.180 nan 0.000 0.511 227 F N 2.832 122.992 119.950 0.349 0.000 2.460 227 F HA 0.504 5.031 4.527 -0.000 0.000 0.341 227 F C 0.910 176.847 175.800 0.229 0.000 1.130 227 F CA -1.235 56.924 58.000 0.265 0.000 0.962 227 F CB 0.736 39.842 39.000 0.177 0.000 1.171 227 F HN 0.334 nan 8.300 nan 0.000 0.436 228 G N 3.082 112.095 108.800 0.355 0.000 2.634 228 G HA2 0.554 4.514 3.960 -0.000 0.000 0.255 228 G HA3 0.554 4.514 3.960 -0.000 0.000 0.255 228 G C -0.905 173.942 174.900 -0.088 0.000 1.205 228 G CA -0.588 44.540 45.100 0.046 0.000 0.884 228 G HN 0.555 nan 8.290 nan 0.000 0.549 229 L N 0.192 121.076 121.223 -0.565 0.000 2.385 229 L HA 0.487 4.827 4.340 -0.000 0.000 0.273 229 L C -1.234 175.278 176.870 -0.596 0.000 0.990 229 L CA -0.788 53.847 54.840 -0.342 0.000 0.821 229 L CB 1.947 43.838 42.059 -0.281 0.000 1.279 229 L HN 0.475 nan 8.230 nan 0.000 0.412 230 Y N 0.342 120.500 120.300 -0.237 0.000 2.605 230 Y HA 0.450 5.000 4.550 -0.000 0.000 0.343 230 Y C -0.508 175.327 175.900 -0.110 0.000 1.036 230 Y CA -1.154 56.872 58.100 -0.123 0.000 1.065 230 Y CB 1.162 39.687 38.460 0.108 0.000 1.288 230 Y HN 0.239 nan 8.280 nan 0.000 0.481 231 Y N 0.808 121.247 120.300 0.231 0.000 2.377 231 Y HA 0.075 4.625 4.550 -0.000 0.000 0.330 231 Y C 0.877 176.858 175.900 0.134 0.000 1.108 231 Y CA -0.306 57.889 58.100 0.159 0.000 1.308 231 Y CB 0.343 38.920 38.460 0.195 0.000 1.216 231 Y HN 0.513 nan 8.280 nan 0.000 0.518 232 N N 4.213 123.052 118.700 0.232 0.000 2.892 232 N HA 0.018 4.758 4.740 -0.000 0.000 0.300 232 N C -0.780 174.834 175.510 0.173 0.000 1.211 232 N CA -0.023 53.093 53.050 0.110 0.000 1.158 232 N CB -0.479 38.043 38.487 0.059 0.000 1.455 232 N HN 0.365 nan 8.380 nan 0.000 0.524 233 I N 1.277 121.994 120.570 0.244 0.000 2.710 233 I HA -0.069 4.101 4.170 -0.000 0.000 0.286 233 I C 0.735 176.957 176.117 0.174 0.000 1.181 233 I CA 0.004 61.443 61.300 0.233 0.000 1.430 233 I CB -0.211 37.972 38.000 0.306 0.000 1.367 233 I HN 0.405 nan 8.210 nan 0.000 0.577 234 S N 3.566 119.356 115.700 0.151 0.000 2.513 234 S HA 0.483 4.953 4.470 -0.000 0.000 0.276 234 S C 0.953 175.633 174.600 0.133 0.000 1.254 234 S CA -0.150 58.123 58.200 0.122 0.000 1.053 234 S CB 1.227 64.486 63.200 0.097 0.000 0.958 234 S HN 1.206 nan 8.310 nan 0.000 0.491 235 G N 1.492 110.365 108.800 0.122 0.000 2.356 235 G HA2 0.243 4.203 3.960 -0.000 0.000 0.296 235 G HA3 0.243 4.203 3.960 -0.000 0.000 0.296 235 G C 0.235 175.233 174.900 0.163 0.000 1.022 235 G CA 0.246 45.423 45.100 0.128 0.000 0.961 235 G HN 1.952 nan 8.290 nan 0.000 0.510 236 A N -1.861 121.062 122.820 0.172 0.000 2.571 236 A HA 0.828 5.148 4.320 -0.000 0.000 0.296 236 A C 0.313 177.933 177.584 0.060 0.000 1.005 236 A CA 0.335 52.499 52.037 0.211 0.000 0.682 236 A CB 0.034 19.194 19.000 0.266 0.000 1.292 236 A HN 1.989 nan 8.150 nan 0.000 0.420 237 G N 0.191 108.847 108.800 -0.240 0.000 2.313 237 G HA2 0.437 4.397 3.960 -0.000 0.000 0.250 237 G HA3 0.437 4.397 3.960 -0.000 0.000 0.250 237 G C 0.458 175.119 174.900 -0.399 0.000 1.281 237 G CA 0.445 45.111 45.100 -0.722 0.000 0.917 237 G HN 1.621 nan 8.290 nan 0.000 0.501 238 F N 1.481 121.111 119.950 -0.533 0.000 2.710 238 F HA 0.220 4.747 4.527 -0.000 0.000 0.298 238 F C 1.552 177.129 175.800 -0.372 0.000 1.137 238 F CA -0.683 57.156 58.000 -0.269 0.000 1.444 238 F CB -0.558 38.245 39.000 -0.328 0.000 1.111 238 F HN 0.348 nan 8.300 nan 0.000 0.580 239 F N 1.377 120.767 119.950 -0.934 0.000 2.202 239 F HA -0.119 4.408 4.527 -0.000 0.000 0.301 239 F C 1.730 177.434 175.800 -0.160 0.000 1.082 239 F CA 1.096 58.669 58.000 -0.711 0.000 1.313 239 F CB -1.060 37.503 39.000 -0.729 0.000 1.024 239 F HN 0.040 nan 8.300 nan 0.000 0.495 240 L N -0.328 120.783 121.223 -0.187 0.000 2.612 240 L HA 0.049 4.389 4.340 -0.000 0.000 0.230 240 L C 0.093 176.612 176.870 -0.585 0.000 1.140 240 L CA 0.255 54.872 54.840 -0.372 0.000 0.896 240 L CB -0.481 41.252 42.059 -0.542 0.000 1.065 240 L HN 0.215 nan 8.230 nan 0.000 0.447 241 H N -1.559 117.711 119.070 0.334 0.000 2.386 241 H HA 0.218 4.774 4.556 -0.000 0.000 0.232 241 H C -0.707 174.887 175.328 0.443 0.000 1.416 241 H CA -0.557 55.723 56.048 0.387 0.000 1.285 241 H CB -0.095 29.901 29.762 0.391 0.000 1.625 241 H HN 0.195 nan 8.280 nan 0.000 0.521 242 H N 1.462 120.671 119.070 0.231 0.000 2.955 242 H HA 0.093 4.649 4.556 -0.000 0.000 0.290 242 H C 1.502 176.808 175.328 -0.036 0.000 1.047 242 H CA -0.319 55.602 56.048 -0.211 0.000 1.484 242 H CB 1.063 30.721 29.762 -0.174 0.000 1.501 242 H HN 0.252 nan 8.280 nan 0.000 0.521 243 V N 2.405 122.245 119.914 -0.123 0.000 3.078 243 V HA 0.114 4.234 4.120 -0.000 0.000 0.265 243 V C 1.487 177.473 176.094 -0.180 0.000 1.122 243 V CA 1.040 63.242 62.300 -0.164 0.000 1.141 243 V CB -0.585 30.975 31.823 -0.439 0.000 0.735 243 V HN 1.087 nan 8.190 nan 0.000 0.498 244 G N -0.179 108.688 108.800 0.112 0.000 2.148 244 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.203 244 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.203 244 G C -0.480 174.357 174.900 -0.103 0.000 0.993 244 G CA 0.100 45.059 45.100 -0.235 0.000 0.661 244 G HN 0.905 nan 8.290 nan 0.000 0.518 245 L N 1.003 122.300 121.223 0.122 0.000 2.376 245 L HA 0.803 5.143 4.340 -0.000 0.000 0.275 245 L C -0.517 176.481 176.870 0.214 0.000 0.987 245 L CA -0.806 54.150 54.840 0.194 0.000 0.828 245 L CB 1.341 43.458 42.059 0.095 0.000 1.249 245 L HN 0.211 nan 8.230 nan 0.000 0.409 246 E N 6.035 126.456 120.200 0.369 0.000 2.210 246 E HA 0.580 4.929 4.350 -0.000 0.000 0.266 246 E C -1.429 175.514 176.600 0.573 0.000 0.883 246 E CA -0.719 55.954 56.400 0.456 0.000 0.761 246 E CB 2.388 32.346 29.700 0.430 0.000 1.156 246 E HN 0.497 nan 8.360 nan 0.000 0.412 247 L N 2.793 124.273 121.223 0.428 0.000 2.341 247 L HA 0.434 4.774 4.340 -0.000 0.000 0.278 247 L C -0.741 176.085 176.870 -0.072 0.000 1.005 247 L CA -1.204 53.726 54.840 0.150 0.000 0.818 247 L CB 1.197 43.279 42.059 0.038 0.000 1.259 247 L HN 0.335 nan 8.230 nan 0.000 0.418 248 L N 4.382 125.206 121.223 -0.665 0.000 2.268 248 L HA 0.384 4.724 4.340 -0.000 0.000 0.289 248 L C -0.398 176.280 176.870 -0.319 0.000 1.064 248 L CA 0.051 54.353 54.840 -0.897 0.000 0.824 248 L CB 1.117 42.321 42.059 -1.425 0.000 1.202 248 L HN 0.302 nan 8.230 nan 0.000 0.433 249 V N 5.190 125.065 119.914 -0.064 0.000 2.439 249 V HA 0.348 4.468 4.120 -0.000 0.000 0.282 249 V C 0.205 176.323 176.094 0.039 0.000 1.039 249 V CA -0.680 61.613 62.300 -0.013 0.000 0.913 249 V CB 1.403 33.182 31.823 -0.073 0.000 0.983 249 V HN 0.746 nan 8.190 nan 0.000 0.460 250 N N 3.275 121.953 118.700 -0.038 0.000 2.678 250 N HA 0.199 4.939 4.740 -0.000 0.000 0.231 250 N C 0.284 175.673 175.510 -0.201 0.000 1.038 250 N CA -0.429 52.555 53.050 -0.110 0.000 0.932 250 N CB 0.403 38.850 38.487 -0.067 0.000 1.176 250 N HN 0.862 nan 8.380 nan 0.000 0.511 251 H N 0.414 119.172 119.070 -0.521 0.000 2.524 251 H HA 0.295 4.851 4.556 -0.000 0.000 0.299 251 H C 1.303 176.248 175.328 -0.639 0.000 1.074 251 H CA -0.428 54.866 56.048 -1.257 0.000 1.115 251 H CB 0.607 29.386 29.762 -1.638 0.000 1.522 251 H HN 0.291 nan 8.280 nan 0.000 0.543 252 K N 1.223 121.437 120.400 -0.310 0.000 2.148 252 K HA 0.076 4.396 4.320 -0.000 0.000 0.204 252 K C 0.791 177.484 176.600 0.155 0.000 1.050 252 K CA 0.525 56.755 56.287 -0.095 0.000 0.942 252 K CB -0.063 32.377 32.500 -0.100 0.000 0.724 252 K HN 0.439 nan 8.250 nan 0.000 0.446 253 A N 1.306 124.324 122.820 0.329 0.000 2.511 253 A HA 0.056 4.376 4.320 -0.000 0.000 0.242 253 A C 1.014 178.859 177.584 0.435 0.000 1.069 253 A CA -0.094 52.157 52.037 0.356 0.000 0.763 253 A CB 0.150 19.343 19.000 0.321 0.000 1.001 253 A HN 0.366 nan 8.150 nan 0.000 0.498 254 L N 0.588 121.968 121.223 0.262 0.000 2.353 254 L HA -0.062 4.278 4.340 -0.000 0.000 0.220 254 L C 0.457 177.412 176.870 0.141 0.000 1.133 254 L CA 0.810 55.797 54.840 0.245 0.000 0.798 254 L CB -0.229 41.930 42.059 0.167 0.000 0.922 254 L HN 0.694 nan 8.230 nan 0.000 0.445 255 D N -0.370 120.064 120.400 0.056 0.000 2.454 255 D HA 0.192 4.832 4.640 -0.000 0.000 0.225 255 D C -1.763 174.271 176.300 -0.443 0.000 1.081 255 D CA -2.381 51.544 54.000 -0.126 0.000 0.864 255 D CB 1.678 42.435 40.800 -0.071 0.000 1.040 255 D HN -0.197 nan 8.370 nan 0.000 0.517 256 P HA -0.157 nan 4.420 nan 0.000 0.219 256 P C 0.920 177.702 177.300 -0.863 0.000 1.144 256 P CA 1.096 63.160 63.100 -1.727 0.000 0.806 256 P CB 0.305 31.274 31.700 -1.217 0.000 0.771 257 A N -0.008 122.543 122.820 -0.447 0.000 1.930 257 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 257 A C 1.963 179.469 177.584 -0.130 0.000 1.175 257 A CA 1.159 53.066 52.037 -0.217 0.000 0.627 257 A CB -0.746 18.172 19.000 -0.137 0.000 0.815 257 A HN 0.157 nan 8.150 nan 0.000 0.443 258 R N -1.440 118.989 120.500 -0.117 0.000 2.356 258 R HA 0.037 4.377 4.340 -0.000 0.000 0.234 258 R C -0.766 175.659 176.300 0.207 0.000 0.929 258 R CA -0.477 55.645 56.100 0.036 0.000 1.084 258 R CB 0.078 30.413 30.300 0.058 0.000 1.105 258 R HN 0.500 nan 8.270 nan 0.000 0.515 259 W N 1.818 123.129 121.300 0.018 0.000 2.202 259 W HA 0.185 4.845 4.660 -0.000 0.000 0.332 259 W C 1.088 177.608 176.519 0.002 0.000 1.263 259 W CA -0.551 56.807 57.345 0.022 0.000 1.223 259 W CB 0.687 30.169 29.460 0.035 0.000 1.128 259 W HN -0.043 nan 8.180 nan 0.000 0.573 260 T N -0.619 114.066 114.554 0.219 0.000 2.778 260 T HA 0.654 5.004 4.350 -0.000 0.000 0.293 260 T C -1.031 173.687 174.700 0.030 0.000 1.144 260 T CA -0.964 61.195 62.100 0.097 0.000 1.010 260 T CB 1.619 70.523 68.868 0.061 0.000 1.325 260 T HN 0.110 nan 8.240 nan 0.000 0.515 261 I N 2.417 122.985 120.570 -0.003 0.000 2.328 261 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 261 I C 1.323 177.408 176.117 -0.054 0.000 1.012 261 I CA -0.337 60.934 61.300 -0.049 0.000 1.195 261 I CB 1.214 39.188 38.000 -0.043 0.000 1.350 261 I HN 0.832 nan 8.210 nan 0.000 0.464 262 Q N 3.653 123.393 119.800 -0.100 0.000 2.187 262 Q HA -0.002 4.338 4.340 -0.000 0.000 0.199 262 Q C 0.277 176.247 176.000 -0.049 0.000 0.957 262 Q CA 0.984 56.741 55.803 -0.077 0.000 0.857 262 Q CB 0.556 29.232 28.738 -0.103 0.000 0.929 262 Q HN 0.457 nan 8.270 nan 0.000 0.453 263 K N -0.877 119.461 120.400 -0.105 0.000 2.625 263 K HA 0.385 4.705 4.320 -0.000 0.000 0.284 263 K C -1.997 174.615 176.600 0.020 0.000 0.984 263 K CA -0.341 55.965 56.287 0.033 0.000 0.865 263 K CB 2.316 34.932 32.500 0.193 0.000 1.468 263 K HN -0.184 nan 8.250 nan 0.000 0.407 264 V N 2.789 122.837 119.914 0.224 0.000 2.823 264 V HA 0.623 4.743 4.120 -0.000 0.000 0.312 264 V C -1.310 175.044 176.094 0.433 0.000 1.072 264 V CA -0.740 61.727 62.300 0.279 0.000 0.937 264 V CB 1.684 33.605 31.823 0.163 0.000 1.013 264 V HN 0.699 nan 8.190 nan 0.000 0.430 265 F N 4.690 124.813 119.950 0.289 0.000 2.518 265 F HA 0.708 5.235 4.527 -0.000 0.000 0.323 265 F C -1.461 174.409 175.800 0.115 0.000 1.129 265 F CA -0.602 57.442 58.000 0.073 0.000 0.920 265 F CB 1.475 40.342 39.000 -0.221 0.000 1.160 265 F HN 0.519 nan 8.300 nan 0.000 0.440 266 Y N 5.232 125.194 120.300 -0.562 0.000 2.421 266 Y HA 0.270 4.820 4.550 -0.000 0.000 0.339 266 Y C 0.121 175.663 175.900 -0.596 0.000 0.996 266 Y CA -0.974 56.872 58.100 -0.422 0.000 1.046 266 Y CB 1.556 39.772 38.460 -0.407 0.000 1.226 266 Y HN 0.751 nan 8.280 nan 0.000 0.445 267 Q N 4.536 123.569 119.800 -1.279 0.000 2.349 267 Q HA -0.302 4.038 4.340 -0.000 0.000 0.340 267 Q C 1.001 176.510 176.000 -0.819 0.000 1.268 267 Q CA 1.589 56.750 55.803 -1.069 0.000 1.017 267 Q CB -1.258 26.670 28.738 -1.350 0.000 1.258 267 Q HN 1.232 nan 8.270 nan 0.000 0.438 268 G N -0.997 107.090 108.800 -1.189 0.000 2.436 268 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.204 268 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.204 268 G C 0.043 174.457 174.900 -0.810 0.000 1.026 268 G CA -0.088 44.322 45.100 -1.150 0.000 0.658 268 G HN 0.300 nan 8.290 nan 0.000 0.499 269 R N -0.487 119.538 120.500 -0.791 0.000 2.854 269 R HA 0.656 4.996 4.340 -0.000 0.000 0.271 269 R C -1.183 174.832 176.300 -0.475 0.000 0.996 269 R CA -0.848 54.996 56.100 -0.427 0.000 0.961 269 R CB 1.262 31.415 30.300 -0.246 0.000 1.182 269 R HN 0.123 nan 8.270 nan 0.000 0.479 270 Y N 0.846 120.917 120.300 -0.382 0.000 2.308 270 Y HA 0.308 4.858 4.550 -0.000 0.000 0.329 270 Y C -0.382 175.239 175.900 -0.465 0.000 1.111 270 Y CA -0.158 57.856 58.100 -0.143 0.000 1.179 270 Y CB 0.712 39.215 38.460 0.072 0.000 1.201 270 Y HN 0.362 nan 8.280 nan 0.000 0.483 271 Y N 0.673 121.075 120.300 0.170 0.000 2.536 271 Y HA 0.281 4.831 4.550 -0.000 0.000 0.347 271 Y C 0.686 176.649 175.900 0.106 0.000 1.000 271 Y CA -1.330 56.827 58.100 0.095 0.000 1.051 271 Y CB 1.365 39.839 38.460 0.023 0.000 1.259 271 Y HN 0.542 nan 8.280 nan 0.000 0.468 272 D N 0.220 120.735 120.400 0.192 0.000 2.234 272 D HA -0.004 4.636 4.640 -0.000 0.000 0.205 272 D C 0.200 176.560 176.300 0.099 0.000 0.962 272 D CA 1.058 55.133 54.000 0.124 0.000 0.855 272 D CB 0.332 41.179 40.800 0.080 0.000 0.951 272 D HN 0.428 nan 8.370 nan 0.000 0.500 273 S N -1.417 114.347 115.700 0.107 0.000 2.596 273 S HA 0.348 4.818 4.470 -0.000 0.000 0.270 273 S C 0.698 175.304 174.600 0.011 0.000 1.155 273 S CA -0.810 57.417 58.200 0.046 0.000 0.827 273 S CB 1.052 64.267 63.200 0.025 0.000 1.130 273 S HN -0.074 nan 8.310 nan 0.000 0.467 274 L N 1.088 122.283 121.223 -0.046 0.000 2.046 274 L HA 0.013 4.353 4.340 -0.000 0.000 0.208 274 L C 3.096 179.900 176.870 -0.110 0.000 1.077 274 L CA 1.761 56.529 54.840 -0.120 0.000 0.747 274 L CB -1.110 40.864 42.059 -0.141 0.000 0.896 274 L HN 0.939 nan 8.230 nan 0.000 0.432 275 A N -0.342 122.443 122.820 -0.058 0.000 1.873 275 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 275 A C 2.312 179.884 177.584 -0.020 0.000 1.193 275 A CA 2.104 54.119 52.037 -0.037 0.000 0.629 275 A CB -0.748 18.244 19.000 -0.013 0.000 0.826 275 A HN 0.492 nan 8.150 nan 0.000 0.447 276 Q N -1.036 118.772 119.800 0.012 0.000 2.096 276 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 276 Q C 2.038 178.070 176.000 0.053 0.000 0.982 276 Q CA 1.820 57.657 55.803 0.057 0.000 0.850 276 Q CB -0.237 28.567 28.738 0.109 0.000 0.901 276 Q HN 0.577 nan 8.270 nan 0.000 0.422 277 L N 1.239 122.436 121.223 -0.043 0.000 1.961 277 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 277 L C 2.275 179.029 176.870 -0.194 0.000 1.072 277 L CA 2.483 57.141 54.840 -0.304 0.000 0.749 277 L CB -1.037 40.645 42.059 -0.629 0.000 0.889 277 L HN 0.186 nan 8.230 nan 0.000 0.432 278 E N 0.242 120.336 120.200 -0.175 0.000 2.113 278 E HA -0.303 4.047 4.350 -0.000 0.000 0.210 278 E C 2.030 178.648 176.600 0.030 0.000 1.040 278 E CA 2.180 58.527 56.400 -0.088 0.000 0.847 278 E CB -0.822 28.828 29.700 -0.082 0.000 0.755 278 E HN 0.598 nan 8.360 nan 0.000 0.459 279 A N 0.571 123.397 122.820 0.010 0.000 1.859 279 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 279 A C 2.194 179.795 177.584 0.028 0.000 1.198 279 A CA 2.247 54.299 52.037 0.025 0.000 0.629 279 A CB -0.838 18.175 19.000 0.022 0.000 0.830 279 A HN 0.479 nan 8.150 nan 0.000 0.446 280 Q N -1.888 117.936 119.800 0.040 0.000 2.291 280 Q HA -0.157 4.183 4.340 -0.000 0.000 0.206 280 Q C 1.838 177.854 176.000 0.027 0.000 0.976 280 Q CA 1.387 57.219 55.803 0.049 0.000 0.875 280 Q CB -0.309 28.505 28.738 0.126 0.000 0.927 280 Q HN 0.803 nan 8.270 nan 0.000 0.450 281 F N 2.248 122.133 119.950 -0.110 0.000 2.098 281 F HA -0.113 4.414 4.527 -0.000 0.000 0.294 281 F C 1.738 177.480 175.800 -0.097 0.000 1.107 281 F CA 1.510 59.433 58.000 -0.128 0.000 1.234 281 F CB -0.001 38.884 39.000 -0.193 0.000 1.002 281 F HN -0.048 nan 8.300 nan 0.000 0.472 282 E N 0.573 120.630 120.200 -0.240 0.000 2.268 282 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 282 E C 2.257 178.714 176.600 -0.239 0.000 0.995 282 E CA 0.751 56.965 56.400 -0.310 0.000 0.836 282 E CB -0.393 29.281 29.700 -0.044 0.000 0.763 282 E HN 0.507 nan 8.360 nan 0.000 0.491 283 A N 0.883 123.613 122.820 -0.150 0.000 1.969 283 A HA 0.072 4.392 4.320 -0.000 0.000 0.218 283 A C 2.039 179.544 177.584 -0.133 0.000 1.169 283 A CA 1.354 53.331 52.037 -0.100 0.000 0.635 283 A CB -0.492 18.481 19.000 -0.044 0.000 0.810 283 A HN 0.392 nan 8.150 nan 0.000 0.445 284 G N -2.692 105.988 108.800 -0.200 0.000 2.148 284 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.203 284 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.203 284 G C 0.412 175.249 174.900 -0.105 0.000 0.993 284 G CA 0.325 45.304 45.100 -0.200 0.000 0.661 284 G HN 0.830 nan 8.290 nan 0.000 0.518 285 L N 0.885 122.076 121.223 -0.054 0.000 2.769 285 L HA 0.589 4.929 4.340 -0.000 0.000 0.240 285 L C 0.484 177.387 176.870 0.055 0.000 1.163 285 L CA 0.122 54.966 54.840 0.007 0.000 0.962 285 L CB 1.045 43.120 42.059 0.026 0.000 1.258 285 L HN 0.057 nan 8.230 nan 0.000 0.513 286 V N 1.077 121.025 119.914 0.057 0.000 2.293 286 V HA 0.303 4.423 4.120 -0.000 0.000 0.275 286 V C -0.198 175.988 176.094 0.154 0.000 1.021 286 V CA -0.749 61.631 62.300 0.134 0.000 0.815 286 V CB 1.079 32.990 31.823 0.147 0.000 1.025 286 V HN 0.255 nan 8.190 nan 0.000 0.448 287 N N 4.151 122.933 118.700 0.137 0.000 2.442 287 N HA 0.301 5.041 4.740 -0.000 0.000 0.265 287 N C -0.711 174.908 175.510 0.180 0.000 1.138 287 N CA 0.072 53.206 53.050 0.139 0.000 0.956 287 N CB 1.241 39.792 38.487 0.106 0.000 1.067 287 N HN 0.395 nan 8.380 nan 0.000 0.474 288 V N 4.000 124.051 119.914 0.227 0.000 2.435 288 V HA 0.324 4.444 4.120 -0.000 0.000 0.290 288 V C -0.185 176.000 176.094 0.151 0.000 1.030 288 V CA -0.866 61.571 62.300 0.227 0.000 0.881 288 V CB 1.707 33.729 31.823 0.332 0.000 0.983 288 V HN 0.381 nan 8.190 nan 0.000 0.445 289 V N 6.560 126.503 119.914 0.047 0.000 2.348 289 V HA 0.322 4.442 4.120 -0.000 0.000 0.270 289 V C 0.141 176.216 176.094 -0.032 0.000 1.037 289 V CA -0.450 61.861 62.300 0.017 0.000 0.872 289 V CB 1.160 33.008 31.823 0.042 0.000 1.002 289 V HN 0.617 nan 8.190 nan 0.000 0.464 290 L N 6.278 127.518 121.223 0.028 0.000 2.433 290 L HA 0.257 4.597 4.340 -0.000 0.000 0.275 290 L C -0.085 176.817 176.870 0.054 0.000 1.128 290 L CA -0.002 54.864 54.840 0.043 0.000 0.875 290 L CB 0.194 42.307 42.059 0.089 0.000 1.171 290 L HN 0.420 nan 8.230 nan 0.000 0.463 291 I N 5.963 126.569 120.570 0.060 0.000 2.325 291 I HA 0.258 4.428 4.170 -0.000 0.000 0.291 291 I C -1.740 174.473 176.117 0.160 0.000 1.019 291 I CA -2.452 58.969 61.300 0.202 0.000 1.302 291 I CB 0.724 38.905 38.000 0.302 0.000 1.401 291 I HN 0.356 nan 8.210 nan 0.000 0.485 292 P HA 0.074 nan 4.420 nan 0.000 0.268 292 P C -0.003 177.164 177.300 -0.221 0.000 1.204 292 P CA -0.054 63.082 63.100 0.059 0.000 0.768 292 P CB 1.050 32.825 31.700 0.125 0.000 0.842 293 D N 1.141 121.277 120.400 -0.441 0.000 2.328 293 D HA 0.051 4.691 4.640 -0.000 0.000 0.221 293 D C -0.021 175.916 176.300 -0.605 0.000 1.072 293 D CA 0.015 53.505 54.000 -0.850 0.000 0.850 293 D CB -0.110 40.320 40.800 -0.617 0.000 0.922 293 D HN 0.226 nan 8.370 nan 0.000 0.516 294 N N -1.299 116.898 118.700 -0.838 0.000 3.046 294 N HA 0.579 5.319 4.740 -0.000 0.000 0.243 294 N C -0.861 173.594 175.510 -1.758 0.000 1.452 294 N CA 0.096 52.437 53.050 -1.182 0.000 0.882 294 N CB 1.699 39.871 38.487 -0.525 0.000 1.425 294 N HN 0.116 nan 8.380 nan 0.000 0.517 295 G N -0.775 106.954 108.800 -1.785 0.000 2.364 295 G HA2 0.445 4.405 3.960 -0.000 0.000 0.286 295 G HA3 0.445 4.405 3.960 -0.000 0.000 0.286 295 G C -1.782 172.744 174.900 -0.625 0.000 1.241 295 G CA -0.337 43.914 45.100 -1.416 0.000 0.887 295 G HN 0.586 nan 8.290 nan 0.000 0.484 296 T N -0.873 113.642 114.554 -0.065 0.000 2.896 296 T HA 0.854 5.204 4.350 -0.000 0.000 0.297 296 T C 0.298 175.228 174.700 0.383 0.000 1.108 296 T CA 0.877 63.095 62.100 0.197 0.000 1.004 296 T CB 1.436 70.356 68.868 0.086 0.000 1.159 296 T HN 2.529 nan 8.240 nan 0.000 0.499 297 G N 0.350 109.312 108.800 0.271 0.000 2.610 297 G HA2 0.164 4.124 3.960 -0.000 0.000 0.304 297 G HA3 0.164 4.124 3.960 -0.000 0.000 0.304 297 G C 0.878 175.904 174.900 0.209 0.000 1.309 297 G CA 0.107 45.335 45.100 0.213 0.000 0.906 297 G HN 1.181 nan 8.290 nan 0.000 0.521 298 G N -0.239 108.638 108.800 0.129 0.000 2.442 298 G HA2 0.084 4.044 3.960 -0.000 0.000 0.219 298 G HA3 0.084 4.044 3.960 -0.000 0.000 0.219 298 G C 2.262 177.211 174.900 0.083 0.000 1.141 298 G CA 2.400 47.554 45.100 0.090 0.000 0.763 298 G HN 2.097 nan 8.290 nan 0.000 0.554 299 S N -1.102 114.606 115.700 0.013 0.000 2.469 299 S HA -0.092 4.378 4.470 -0.000 0.000 0.238 299 S C 1.763 176.137 174.600 -0.376 0.000 0.998 299 S CA 1.111 59.192 58.200 -0.199 0.000 0.957 299 S CB -0.396 62.624 63.200 -0.299 0.000 0.764 299 S HN 0.677 nan 8.310 nan 0.000 0.514 300 W N 1.590 123.036 121.300 0.244 0.000 2.942 300 W HA 0.414 5.074 4.660 -0.000 0.000 0.260 300 W C 0.767 177.389 176.519 0.173 0.000 1.101 300 W CA 0.071 57.534 57.345 0.196 0.000 1.436 300 W CB 0.299 29.811 29.460 0.088 0.000 0.883 300 W HN 0.366 nan 8.180 nan 0.000 0.646 301 S N -0.620 115.278 115.700 0.331 0.000 2.588 301 S HA 0.500 4.970 4.470 -0.000 0.000 0.275 301 S C -0.373 174.340 174.600 0.188 0.000 1.130 301 S CA -0.710 57.638 58.200 0.247 0.000 0.855 301 S CB 1.719 65.040 63.200 0.202 0.000 1.116 301 S HN 0.033 nan 8.310 nan 0.000 0.472 302 L N 0.267 121.588 121.223 0.163 0.000 2.590 302 L HA 0.398 4.738 4.340 -0.000 0.000 0.227 302 L C 1.029 177.944 176.870 0.075 0.000 1.099 302 L CA 0.061 54.965 54.840 0.108 0.000 0.872 302 L CB 0.090 42.218 42.059 0.116 0.000 1.088 302 L HN 0.695 nan 8.230 nan 0.000 0.479 303 K N 1.408 121.861 120.400 0.087 0.000 2.383 303 K HA 0.050 4.370 4.320 -0.000 0.000 0.286 303 K C 0.237 176.872 176.600 0.057 0.000 1.051 303 K CA -0.019 56.307 56.287 0.066 0.000 0.974 303 K CB 0.817 33.359 32.500 0.069 0.000 0.968 303 K HN -0.120 nan 8.250 nan 0.000 0.475 304 S N 5.465 121.189 115.700 0.040 0.000 2.516 304 S HA 0.127 4.597 4.470 -0.000 0.000 0.282 304 S C -1.028 173.593 174.600 0.035 0.000 1.286 304 S CA -1.426 56.794 58.200 0.033 0.000 1.066 304 S CB 0.740 63.952 63.200 0.021 0.000 0.884 304 S HN 0.620 nan 8.310 nan 0.000 0.491 305 P HA -0.006 nan 4.420 nan 0.000 0.223 305 P C 0.035 177.351 177.300 0.026 0.000 1.151 305 P CA 0.441 63.562 63.100 0.035 0.000 0.787 305 P CB -0.036 31.687 31.700 0.039 0.000 0.788 306 V N 4.135 124.062 119.914 0.022 0.000 2.498 306 V HA 0.219 4.339 4.120 -0.000 0.000 0.279 306 V C -1.659 174.444 176.094 0.014 0.000 1.048 306 V CA -1.559 60.751 62.300 0.016 0.000 0.967 306 V CB 0.729 32.560 31.823 0.013 0.000 0.988 306 V HN 0.131 nan 8.190 nan 0.000 0.473 307 P HA 0.378 nan 4.420 nan 0.000 0.278 307 P C -2.543 174.761 177.300 0.007 0.000 1.238 307 P CA -1.255 61.851 63.100 0.010 0.000 0.794 307 P CB 0.140 31.845 31.700 0.009 0.000 0.955 308 P HA 0.178 nan 4.420 nan 0.000 0.271 308 P C 0.489 177.789 177.300 0.001 0.000 1.228 308 P CA 0.208 63.310 63.100 0.003 0.000 0.797 308 P CB 0.070 31.772 31.700 0.003 0.000 0.914 309 G N -0.377 108.422 108.800 -0.002 0.000 3.214 309 G HA2 0.557 4.517 3.960 -0.000 0.000 0.188 309 G HA3 0.557 4.517 3.960 -0.000 0.000 0.188 309 G C -2.572 172.324 174.900 -0.006 0.000 1.126 309 G CA -0.654 44.444 45.100 -0.003 0.000 0.796 309 G HN 0.369 nan 8.290 nan 0.000 0.631 310 P HA 0.493 nan 4.420 nan 0.000 0.271 310 P C -0.105 177.189 177.300 -0.009 0.000 1.216 310 P CA -0.036 63.059 63.100 -0.008 0.000 0.771 310 P CB 1.060 32.756 31.700 -0.007 0.000 0.864 311 A N 5.278 128.090 122.820 -0.013 0.000 2.540 311 A HA 0.295 4.615 4.320 -0.000 0.000 0.239 311 A C -1.466 176.113 177.584 -0.008 0.000 1.061 311 A CA -0.765 51.264 52.037 -0.014 0.000 0.758 311 A CB -1.000 17.985 19.000 -0.027 0.000 0.991 311 A HN 0.486 nan 8.150 nan 0.000 0.502 312 P HA 0.251 nan 4.420 nan 0.000 0.271 312 P C -2.439 174.864 177.300 0.005 0.000 1.218 312 P CA -0.938 62.163 63.100 0.000 0.000 0.780 312 P CB -0.312 31.388 31.700 0.001 0.000 0.901 313 P HA -0.056 nan 4.420 nan 0.000 0.265 313 P C -0.719 176.596 177.300 0.024 0.000 1.167 313 P CA 0.161 63.272 63.100 0.019 0.000 0.760 313 P CB 0.360 32.070 31.700 0.016 0.000 0.783 314 L N 2.625 123.873 121.223 0.042 0.000 2.346 314 L HA 0.331 4.671 4.340 -0.000 0.000 0.276 314 L C -0.121 176.803 176.870 0.090 0.000 1.006 314 L CA -0.456 54.416 54.840 0.054 0.000 0.817 314 L CB 1.783 43.867 42.059 0.042 0.000 1.272 314 L HN 0.282 nan 8.230 nan 0.000 0.421 315 Q N 4.142 123.976 119.800 0.056 0.000 2.243 315 Q HA 0.460 4.800 4.340 -0.000 0.000 0.252 315 Q C -1.370 174.661 176.000 0.052 0.000 0.909 315 Q CA -0.153 55.660 55.803 0.016 0.000 0.922 315 Q CB 1.971 30.681 28.738 -0.048 0.000 1.215 315 Q HN 0.585 nan 8.270 nan 0.000 0.427 316 F N 0.385 120.250 119.950 -0.141 0.000 2.641 316 F HA 0.434 4.961 4.527 0.000 0.000 0.308 316 F C -1.963 173.761 175.800 -0.126 0.000 1.105 316 F CA -1.285 56.605 58.000 -0.184 0.000 0.964 316 F CB 0.771 39.733 39.000 -0.064 0.000 1.294 316 F HN 0.258 nan 8.300 nan 0.000 0.442 317 Y N 4.244 124.658 120.300 0.190 0.000 2.504 317 Y HA 0.348 4.898 4.550 -0.000 0.000 0.351 317 Y C -1.575 174.440 175.900 0.192 0.000 0.988 317 Y CA -2.414 55.729 58.100 0.072 0.000 1.239 317 Y CB 0.213 38.751 38.460 0.130 0.000 1.128 317 Y HN 0.457 nan 8.280 nan 0.000 0.525 318 P HA -0.191 nan 4.420 nan 0.000 0.219 318 P C 0.108 177.576 177.300 0.281 0.000 1.146 318 P CA 1.596 64.895 63.100 0.332 0.000 0.808 318 P CB 0.486 32.236 31.700 0.084 0.000 0.779 319 Q N -0.979 118.939 119.800 0.197 0.000 2.139 319 Q HA 0.432 4.772 4.340 -0.000 0.000 0.219 319 Q C 0.437 176.498 176.000 0.102 0.000 0.805 319 Q CA 0.074 55.957 55.803 0.133 0.000 1.024 319 Q CB 1.294 30.082 28.738 0.084 0.000 1.163 319 Q HN 0.217 nan 8.270 nan 0.000 0.485 320 G N 2.622 111.515 108.800 0.156 0.000 2.555 320 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 320 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 320 G C -3.005 171.783 174.900 -0.187 0.000 1.275 320 G CA -1.200 43.936 45.100 0.060 0.000 0.871 320 G HN -0.047 nan 8.290 nan 0.000 0.603 321 P HA 0.197 nan 4.420 nan 0.000 0.267 321 P C 0.140 177.071 177.300 -0.614 0.000 1.200 321 P CA 0.074 62.551 63.100 -1.037 0.000 0.772 321 P CB 0.553 31.628 31.700 -1.041 0.000 0.855 322 R N 1.713 121.938 120.500 -0.459 0.000 2.507 322 R HA 0.265 4.605 4.340 -0.000 0.000 0.298 322 R C 0.210 176.510 176.300 0.000 0.000 0.999 322 R CA -0.037 55.979 56.100 -0.141 0.000 1.082 322 R CB -0.245 30.052 30.300 -0.005 0.000 1.246 322 R HN 0.526 nan 8.270 nan 0.000 0.553 323 F N -1.413 118.466 119.950 -0.118 0.000 2.664 323 F HA 0.688 5.215 4.527 -0.000 0.000 0.329 323 F C -0.522 175.238 175.800 -0.068 0.000 1.090 323 F CA -1.511 56.443 58.000 -0.077 0.000 0.978 323 F CB 1.312 40.276 39.000 -0.059 0.000 1.378 323 F HN -0.201 nan 8.300 nan 0.000 0.495 324 S N 0.494 116.285 115.700 0.153 0.000 2.737 324 S HA 0.561 5.031 4.470 -0.000 0.000 0.269 324 S C -1.532 173.148 174.600 0.133 0.000 1.150 324 S CA -0.682 57.546 58.200 0.047 0.000 1.077 324 S CB 0.627 63.815 63.200 -0.019 0.000 1.075 324 S HN 0.769 nan 8.310 nan 0.000 0.476 325 V N 4.279 124.318 119.914 0.209 0.000 2.387 325 V HA 0.355 4.475 4.120 -0.000 0.000 0.260 325 V C 0.298 176.462 176.094 0.118 0.000 1.054 325 V CA -0.056 62.371 62.300 0.212 0.000 0.967 325 V CB 0.641 32.662 31.823 0.329 0.000 1.036 325 V HN 0.909 nan 8.190 nan 0.000 0.481 326 Q N 3.887 123.717 119.800 0.050 0.000 2.730 326 Q HA 0.446 4.786 4.340 -0.000 0.000 0.244 326 Q C 0.769 176.765 176.000 -0.006 0.000 1.176 326 Q CA 0.739 56.555 55.803 0.021 0.000 1.024 326 Q CB 0.853 29.588 28.738 -0.004 0.000 1.215 326 Q HN 1.073 nan 8.270 nan 0.000 0.542 327 G N 1.373 110.184 108.800 0.019 0.000 2.650 327 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.264 327 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.264 327 G C 0.635 175.444 174.900 -0.151 0.000 1.263 327 G CA 0.233 45.322 45.100 -0.018 0.000 0.960 327 G HN 0.431 nan 8.290 nan 0.000 0.548 328 S N 1.218 116.743 115.700 -0.291 0.000 2.517 328 S HA 0.275 4.745 4.470 -0.000 0.000 0.214 328 S C 1.025 175.182 174.600 -0.738 0.000 0.991 328 S CA 0.226 57.993 58.200 -0.722 0.000 0.906 328 S CB 0.125 63.068 63.200 -0.428 0.000 0.789 328 S HN 0.499 nan 8.310 nan 0.000 0.513 329 R N 1.724 122.035 120.500 -0.315 0.000 2.255 329 R HA 0.465 4.805 4.340 -0.000 0.000 0.326 329 R C -1.118 175.086 176.300 -0.159 0.000 0.986 329 R CA -0.187 55.795 56.100 -0.196 0.000 0.847 329 R CB 1.490 31.726 30.300 -0.105 0.000 1.111 329 R HN 0.040 nan 8.270 nan 0.000 0.452 330 V N 2.306 122.044 119.914 -0.294 0.000 2.481 330 V HA 0.615 4.735 4.120 -0.000 0.000 0.286 330 V C -0.008 175.786 176.094 -0.501 0.000 1.042 330 V CA -0.553 61.532 62.300 -0.357 0.000 0.928 330 V CB 1.611 33.081 31.823 -0.589 0.000 0.986 330 V HN 0.894 nan 8.190 nan 0.000 0.462 331 A N 3.609 126.299 122.820 -0.217 0.000 2.408 331 A HA 0.864 5.184 4.320 -0.000 0.000 0.295 331 A C -0.308 177.261 177.584 -0.024 0.000 1.040 331 A CA -0.126 51.821 52.037 -0.150 0.000 0.707 331 A CB 1.921 20.866 19.000 -0.091 0.000 1.235 331 A HN 1.057 nan 8.150 nan 0.000 0.418 332 S N 0.689 116.391 115.700 0.003 0.000 2.740 332 S HA 0.624 5.094 4.470 -0.000 0.000 0.300 332 S C 1.091 175.718 174.600 0.045 0.000 1.147 332 S CA 0.274 58.522 58.200 0.081 0.000 0.871 332 S CB 0.889 64.189 63.200 0.167 0.000 1.173 332 S HN 1.246 nan 8.310 nan 0.000 0.510 333 S N 0.752 116.484 115.700 0.053 0.000 2.392 333 S HA -0.112 4.358 4.470 -0.000 0.000 0.232 333 S C 1.588 176.156 174.600 -0.053 0.000 1.041 333 S CA 1.758 59.962 58.200 0.006 0.000 1.026 333 S CB -0.899 62.319 63.200 0.029 0.000 0.845 333 S HN 0.620 nan 8.310 nan 0.000 0.465 334 L N -2.404 118.803 121.223 -0.026 0.000 2.445 334 L HA 0.347 4.687 4.340 -0.000 0.000 0.207 334 L C 0.372 177.085 176.870 -0.261 0.000 1.053 334 L CA -0.046 54.663 54.840 -0.218 0.000 0.841 334 L CB -0.022 42.003 42.059 -0.057 0.000 1.074 334 L HN 0.293 nan 8.230 nan 0.000 0.479 335 W N 0.446 121.837 121.300 0.152 0.000 2.639 335 W HA 0.535 5.195 4.660 -0.000 0.000 0.347 335 W C -0.229 176.224 176.519 -0.110 0.000 1.067 335 W CA -0.425 56.973 57.345 0.087 0.000 1.218 335 W CB 1.508 30.956 29.460 -0.019 0.000 1.393 335 W HN -0.213 nan 8.180 nan 0.000 0.557 336 T N 0.366 115.009 114.554 0.148 0.000 2.993 336 T HA 0.795 5.145 4.350 -0.000 0.000 0.312 336 T C -1.169 173.536 174.700 0.008 0.000 1.115 336 T CA -0.847 61.188 62.100 -0.108 0.000 1.027 336 T CB 1.377 70.234 68.868 -0.018 0.000 1.116 336 T HN 0.632 nan 8.240 nan 0.000 0.464 337 F N -1.945 118.016 119.950 0.017 0.000 2.829 337 F HA 0.806 5.333 4.527 -0.000 0.000 0.319 337 F C -1.097 174.722 175.800 0.032 0.000 1.153 337 F CA -1.229 56.786 58.000 0.026 0.000 0.912 337 F CB 0.848 39.827 39.000 -0.035 0.000 1.292 337 F HN 0.718 nan 8.300 nan 0.000 0.447 338 S N 0.949 116.870 115.700 0.369 0.000 2.593 338 S HA 0.910 5.380 4.470 -0.000 0.000 0.297 338 S C -1.159 173.615 174.600 0.291 0.000 1.112 338 S CA -0.477 57.827 58.200 0.172 0.000 1.043 338 S CB 0.893 64.201 63.200 0.181 0.000 1.054 338 S HN 0.962 nan 8.310 nan 0.000 0.516 339 F N 0.423 120.488 119.950 0.192 0.000 2.629 339 F HA 1.000 5.527 4.527 -0.000 0.000 0.316 339 F C 0.100 175.910 175.800 0.017 0.000 1.081 339 F CA -0.659 57.382 58.000 0.069 0.000 0.954 339 F CB 1.062 40.025 39.000 -0.061 0.000 1.337 339 F HN 0.796 nan 8.300 nan 0.000 0.474 340 G N 0.240 109.254 108.800 0.358 0.000 2.548 340 G HA2 0.583 4.543 3.960 -0.000 0.000 0.301 340 G HA3 0.583 4.543 3.960 -0.000 0.000 0.301 340 G C -2.836 172.348 174.900 0.474 0.000 1.349 340 G CA -0.925 44.414 45.100 0.399 0.000 0.792 340 G HN 0.867 nan 8.290 nan 0.000 0.481 341 L N 0.752 122.250 121.223 0.458 0.000 2.439 341 L HA 0.727 5.067 4.340 -0.000 0.000 0.270 341 L C 0.549 177.539 176.870 0.199 0.000 0.972 341 L CA -0.156 54.730 54.840 0.076 0.000 0.836 341 L CB 1.636 43.246 42.059 -0.748 0.000 1.255 341 L HN 0.950 nan 8.230 nan 0.000 0.404 342 G N 2.655 111.501 108.800 0.077 0.000 2.403 342 G HA2 0.431 4.391 3.960 -0.000 0.000 0.259 342 G HA3 0.431 4.391 3.960 -0.000 0.000 0.259 342 G C 0.892 175.852 174.900 0.101 0.000 1.244 342 G CA 0.103 45.297 45.100 0.157 0.000 0.849 342 G HN 1.045 nan 8.290 nan 0.000 0.532 343 A N 2.284 125.216 122.820 0.187 0.000 1.917 343 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 343 A C 1.722 179.036 177.584 -0.450 0.000 1.182 343 A CA 1.770 53.767 52.037 -0.066 0.000 0.633 343 A CB -0.303 18.485 19.000 -0.353 0.000 0.819 343 A HN 0.652 nan 8.150 nan 0.000 0.448 344 F N -0.822 119.198 119.950 0.117 0.000 2.592 344 F HA 0.055 4.582 4.527 0.000 0.000 0.280 344 F C 2.706 178.468 175.800 -0.064 0.000 1.083 344 F CA 0.679 58.709 58.000 0.049 0.000 1.365 344 F CB -0.386 38.652 39.000 0.062 0.000 1.100 344 F HN 0.219 nan 8.300 nan 0.000 0.633 345 S N 0.039 115.811 115.700 0.119 0.000 2.382 345 S HA 0.332 4.802 4.470 -0.000 0.000 0.228 345 S C 1.397 175.825 174.600 -0.286 0.000 1.027 345 S CA 0.666 58.822 58.200 -0.073 0.000 0.991 345 S CB -0.883 62.306 63.200 -0.019 0.000 0.823 345 S HN 0.686 nan 8.310 nan 0.000 0.469 346 G N 0.955 109.590 108.800 -0.276 0.000 2.549 346 G HA2 0.032 3.992 3.960 -0.000 0.000 0.404 346 G HA3 0.032 3.992 3.960 -0.000 0.000 0.404 346 G C -3.217 171.438 174.900 -0.407 0.000 1.292 346 G CA -0.796 44.018 45.100 -0.477 0.000 0.935 346 G HN 0.348 nan 8.290 nan 0.000 0.512 347 P HA 0.185 nan 4.420 nan 0.000 0.266 347 P C 0.056 177.253 177.300 -0.171 0.000 1.162 347 P CA 1.162 64.129 63.100 -0.221 0.000 0.758 347 P CB 0.072 31.638 31.700 -0.224 0.000 0.774 348 R N 2.044 122.513 120.500 -0.053 0.000 2.594 348 R HA 0.706 5.046 4.340 -0.000 0.000 0.265 348 R C -1.650 174.550 176.300 -0.166 0.000 1.070 348 R CA -0.855 55.145 56.100 -0.167 0.000 0.909 348 R CB 1.142 31.372 30.300 -0.117 0.000 1.243 348 R HN 0.248 nan 8.270 nan 0.000 0.455 349 I N 2.784 123.096 120.570 -0.429 0.000 2.582 349 I HA 0.523 4.693 4.170 -0.000 0.000 0.292 349 I C -1.158 174.566 176.117 -0.656 0.000 1.066 349 I CA -0.996 60.115 61.300 -0.315 0.000 1.053 349 I CB 1.901 39.753 38.000 -0.247 0.000 1.241 349 I HN 0.491 nan 8.210 nan 0.000 0.421 350 F N 2.301 122.093 119.950 -0.262 0.000 2.593 350 F HA 0.350 4.877 4.527 -0.000 0.000 0.320 350 F C 0.303 175.941 175.800 -0.270 0.000 1.060 350 F CA -0.842 56.841 58.000 -0.528 0.000 0.940 350 F CB 0.933 39.148 39.000 -1.308 0.000 1.268 350 F HN 0.471 nan 8.300 nan 0.000 0.475 351 D N 1.397 121.751 120.400 -0.077 0.000 2.904 351 D HA -0.162 4.478 4.640 -0.000 0.000 0.231 351 D C -1.189 175.234 176.300 0.205 0.000 1.185 351 D CA 0.313 54.381 54.000 0.114 0.000 0.783 351 D CB -0.573 40.359 40.800 0.219 0.000 0.961 351 D HN 0.215 nan 8.370 nan 0.000 0.409 352 V N 3.724 123.764 119.914 0.210 0.000 2.385 352 V HA 0.369 4.489 4.120 -0.000 0.000 0.269 352 V C 1.086 177.398 176.094 0.363 0.000 1.043 352 V CA -0.139 62.361 62.300 0.334 0.000 0.906 352 V CB 1.179 33.194 31.823 0.320 0.000 0.995 352 V HN 0.217 nan 8.190 nan 0.000 0.467 353 R N 4.421 125.146 120.500 0.375 0.000 2.437 353 R HA 0.482 4.822 4.340 -0.000 0.000 0.310 353 R C -1.077 175.410 176.300 0.312 0.000 0.955 353 R CA -0.513 55.767 56.100 0.300 0.000 0.851 353 R CB 1.859 32.271 30.300 0.187 0.000 1.161 353 R HN 0.594 nan 8.270 nan 0.000 0.446 354 F N 3.824 123.799 119.950 0.041 0.000 2.361 354 F HA 0.152 4.679 4.527 -0.000 0.000 0.364 354 F C 0.108 175.843 175.800 -0.109 0.000 1.120 354 F CA -0.530 57.290 58.000 -0.301 0.000 1.102 354 F CB 0.527 39.239 39.000 -0.479 0.000 1.183 354 F HN 0.628 nan 8.300 nan 0.000 0.476 355 Q N 4.519 123.970 119.800 -0.582 0.000 2.468 355 Q HA -0.239 4.101 4.340 -0.000 0.000 0.289 355 Q C 1.100 176.994 176.000 -0.177 0.000 1.299 355 Q CA 0.840 56.364 55.803 -0.466 0.000 0.838 355 Q CB -1.913 26.433 28.738 -0.654 0.000 1.195 355 Q HN 1.348 nan 8.270 nan 0.000 0.456 356 G N 0.138 108.893 108.800 -0.075 0.000 2.320 356 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.242 356 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.242 356 G C -0.019 174.923 174.900 0.071 0.000 1.033 356 G CA 0.454 45.555 45.100 0.002 0.000 0.620 356 G HN 0.510 nan 8.290 nan 0.000 0.517 357 E N 0.959 121.229 120.200 0.117 0.000 2.167 357 E HA 0.537 4.887 4.350 -0.000 0.000 0.284 357 E C 0.598 177.345 176.600 0.246 0.000 1.016 357 E CA -0.849 55.668 56.400 0.194 0.000 0.817 357 E CB 0.375 30.233 29.700 0.263 0.000 1.080 357 E HN 0.411 nan 8.360 nan 0.000 0.397 358 R N 4.542 125.172 120.500 0.218 0.000 2.449 358 R HA 0.080 4.420 4.340 -0.000 0.000 0.296 358 R C 0.281 176.718 176.300 0.228 0.000 1.047 358 R CA 0.180 56.415 56.100 0.225 0.000 1.018 358 R CB 0.388 30.814 30.300 0.209 0.000 0.962 358 R HN 0.747 nan 8.270 nan 0.000 0.428 359 L N 3.781 125.115 121.223 0.185 0.000 2.349 359 L HA 0.244 4.584 4.340 -0.000 0.000 0.200 359 L C -0.090 176.812 176.870 0.053 0.000 1.064 359 L CA 0.052 54.927 54.840 0.058 0.000 0.821 359 L CB 0.362 42.335 42.059 -0.144 0.000 1.027 359 L HN 0.330 nan 8.230 nan 0.000 0.476 360 V N -1.365 118.599 119.914 0.083 0.000 2.604 360 V HA 0.137 4.257 4.120 -0.000 0.000 0.305 360 V C 0.133 176.303 176.094 0.126 0.000 1.043 360 V CA -0.627 61.715 62.300 0.071 0.000 0.888 360 V CB 1.837 33.660 31.823 -0.001 0.000 0.995 360 V HN 0.132 nan 8.190 nan 0.000 0.429 361 Y N 2.530 122.842 120.300 0.019 0.000 2.397 361 Y HA 0.322 4.872 4.550 -0.000 0.000 0.292 361 Y C 0.854 176.740 175.900 -0.023 0.000 1.115 361 Y CA 1.155 59.286 58.100 0.052 0.000 1.208 361 Y CB 0.625 39.132 38.460 0.079 0.000 1.046 361 Y HN 0.715 nan 8.280 nan 0.000 0.552 362 E N 0.386 120.541 120.200 -0.075 0.000 2.388 362 E HA 0.331 4.681 4.350 -0.000 0.000 0.289 362 E C -1.937 174.459 176.600 -0.339 0.000 0.944 362 E CA -0.527 55.625 56.400 -0.413 0.000 0.792 362 E CB 1.232 30.769 29.700 -0.272 0.000 1.239 362 E HN 0.196 nan 8.360 nan 0.000 0.412 363 I N 4.108 124.408 120.570 -0.449 0.000 2.521 363 I HA 0.218 4.388 4.170 -0.000 0.000 0.277 363 I C -0.651 175.277 176.117 -0.316 0.000 1.054 363 I CA -0.472 60.660 61.300 -0.279 0.000 1.117 363 I CB 1.423 39.298 38.000 -0.209 0.000 1.217 363 I HN 0.471 nan 8.210 nan 0.000 0.469 364 S N 5.393 120.932 115.700 -0.269 0.000 2.566 364 S HA 0.704 5.174 4.470 -0.000 0.000 0.298 364 S C -0.744 173.737 174.600 -0.198 0.000 1.083 364 S CA -0.853 57.197 58.200 -0.251 0.000 0.978 364 S CB 2.679 65.716 63.200 -0.271 0.000 1.073 364 S HN 0.385 nan 8.310 nan 0.000 0.491 365 L N 1.629 122.658 121.223 -0.323 0.000 2.397 365 L HA 0.445 4.785 4.340 -0.000 0.000 0.271 365 L C 0.866 177.427 176.870 -0.515 0.000 1.148 365 L CA 0.460 54.917 54.840 -0.638 0.000 0.825 365 L CB 0.592 42.097 42.059 -0.924 0.000 1.117 365 L HN 0.795 nan 8.230 nan 0.000 0.456 366 Q N 1.821 121.261 119.800 -0.601 0.000 2.511 366 Q HA 0.284 4.624 4.340 -0.000 0.000 0.236 366 Q C -0.119 175.599 176.000 -0.469 0.000 0.893 366 Q CA 0.340 55.899 55.803 -0.407 0.000 0.947 366 Q CB 0.867 29.410 28.738 -0.324 0.000 1.110 366 Q HN 0.730 nan 8.270 nan 0.000 0.591 367 E N -1.063 118.717 120.200 -0.699 0.000 2.449 367 E HA 0.690 5.040 4.350 -0.000 0.000 0.278 367 E C -2.032 174.178 176.600 -0.649 0.000 1.059 367 E CA -0.555 55.480 56.400 -0.608 0.000 0.854 367 E CB 1.748 31.066 29.700 -0.638 0.000 1.465 367 E HN 0.019 nan 8.360 nan 0.000 0.462 368 A N 1.378 124.004 122.820 -0.323 0.000 2.480 368 A HA 0.620 4.940 4.320 -0.000 0.000 0.289 368 A C -1.996 175.621 177.584 0.055 0.000 1.044 368 A CA -0.521 51.399 52.037 -0.194 0.000 0.761 368 A CB 0.546 19.306 19.000 -0.400 0.000 1.289 368 A HN 0.500 nan 8.150 nan 0.000 0.401 369 L N 1.844 123.188 121.223 0.200 0.000 2.303 369 L HA 1.025 5.365 4.340 -0.000 0.000 0.266 369 L C -0.181 176.707 176.870 0.029 0.000 1.011 369 L CA -0.090 54.775 54.840 0.042 0.000 0.818 369 L CB 2.098 44.040 42.059 -0.195 0.000 1.326 369 L HN 1.490 nan 8.230 nan 0.000 0.435 370 A N 4.609 127.409 122.820 -0.034 0.000 2.604 370 A HA 0.592 4.912 4.320 -0.000 0.000 0.285 370 A C -1.187 176.357 177.584 -0.067 0.000 1.095 370 A CA -0.229 51.775 52.037 -0.054 0.000 0.842 370 A CB 0.049 19.153 19.000 0.173 0.000 1.385 370 A HN 0.613 nan 8.150 nan 0.000 0.404 371 I N 2.703 123.136 120.570 -0.229 0.000 2.331 371 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 371 I C -0.759 175.252 176.117 -0.177 0.000 0.998 371 I CA -0.462 60.745 61.300 -0.154 0.000 1.267 371 I CB 0.925 38.807 38.000 -0.197 0.000 1.386 371 I HN 0.603 nan 8.210 nan 0.000 0.476 372 Y N 3.807 124.043 120.300 -0.106 0.000 2.419 372 Y HA 0.643 5.193 4.550 -0.000 0.000 0.328 372 Y C 0.804 176.682 175.900 -0.036 0.000 1.162 372 Y CA -0.687 57.379 58.100 -0.057 0.000 1.174 372 Y CB 1.741 40.139 38.460 -0.104 0.000 1.228 372 Y HN 0.519 nan 8.280 nan 0.000 0.473 373 G N -0.349 108.540 108.800 0.148 0.000 2.417 373 G HA2 0.632 4.592 3.960 -0.000 0.000 0.334 373 G HA3 0.632 4.592 3.960 -0.000 0.000 0.334 373 G C -0.708 174.291 174.900 0.165 0.000 1.150 373 G CA -0.590 44.601 45.100 0.153 0.000 0.923 373 G HN 0.889 nan 8.290 nan 0.000 0.485 374 G N -0.582 108.275 108.800 0.095 0.000 2.677 374 G HA2 0.383 4.343 3.960 -0.000 0.000 0.291 374 G HA3 0.383 4.343 3.960 -0.000 0.000 0.291 374 G C 0.017 174.543 174.900 -0.624 0.000 1.435 374 G CA -0.372 44.639 45.100 -0.150 0.000 0.826 374 G HN 0.554 nan 8.290 nan 0.000 0.491 375 N N -0.996 117.375 118.700 -0.547 0.000 2.439 375 N HA 0.099 4.839 4.740 -0.000 0.000 0.176 375 N C 1.058 176.316 175.510 -0.420 0.000 1.029 375 N CA 0.947 53.584 53.050 -0.687 0.000 0.886 375 N CB 0.435 38.572 38.487 -0.583 0.000 1.057 375 N HN 0.494 nan 8.380 nan 0.000 0.437 376 S N -0.049 115.403 115.700 -0.413 0.000 2.718 376 S HA 0.438 4.908 4.470 -0.000 0.000 0.300 376 S C -1.988 172.152 174.600 -0.766 0.000 1.117 376 S CA -1.281 56.497 58.200 -0.703 0.000 1.002 376 S CB 1.613 64.432 63.200 -0.635 0.000 1.092 376 S HN -0.025 nan 8.310 nan 0.000 0.542 377 P HA -0.104 nan 4.420 nan 0.000 0.218 377 P C 1.278 178.000 177.300 -0.963 0.000 1.148 377 P CA 1.591 64.036 63.100 -1.091 0.000 0.822 377 P CB -0.082 30.503 31.700 -1.858 0.000 0.784 378 A N 0.210 122.563 122.820 -0.779 0.000 1.821 378 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 378 A C 2.329 179.717 177.584 -0.326 0.000 1.214 378 A CA 2.169 53.961 52.037 -0.409 0.000 0.608 378 A CB -1.719 17.192 19.000 -0.150 0.000 0.862 378 A HN 0.159 nan 8.150 nan 0.000 0.448 379 A N -0.651 122.001 122.820 -0.281 0.000 1.863 379 A HA -0.347 3.973 4.320 -0.000 0.000 0.218 379 A C 2.297 179.783 177.584 -0.162 0.000 1.233 379 A CA 2.828 54.739 52.037 -0.209 0.000 0.655 379 A CB -0.972 17.941 19.000 -0.145 0.000 0.839 379 A HN 0.701 nan 8.150 nan 0.000 0.454 380 M N -1.190 118.286 119.600 -0.206 0.000 2.201 380 M HA -0.252 4.228 4.480 -0.000 0.000 0.251 380 M C 0.966 177.206 176.300 -0.100 0.000 1.090 380 M CA 2.483 57.686 55.300 -0.162 0.000 1.063 380 M CB -0.285 32.163 32.600 -0.253 0.000 1.360 380 M HN 0.500 nan 8.290 nan 0.000 0.401 381 T N -1.226 113.245 114.554 -0.137 0.000 3.091 381 T HA 0.126 4.476 4.350 -0.000 0.000 0.277 381 T C 0.201 174.849 174.700 -0.086 0.000 0.996 381 T CA -0.095 61.969 62.100 -0.060 0.000 0.897 381 T CB 0.204 69.069 68.868 -0.005 0.000 1.109 381 T HN 0.243 nan 8.240 nan 0.000 0.534 382 T N 3.495 117.941 114.554 -0.180 0.000 2.799 382 T HA 0.310 4.660 4.350 -0.000 0.000 0.296 382 T C 0.329 174.902 174.700 -0.213 0.000 0.947 382 T CA -0.011 61.879 62.100 -0.351 0.000 1.141 382 T CB 0.371 68.830 68.868 -0.681 0.000 0.891 382 T HN 0.040 nan 8.240 nan 0.000 0.533 383 R N 2.652 123.010 120.500 -0.236 0.000 2.653 383 R HA 0.262 4.602 4.340 -0.000 0.000 0.269 383 R C -1.119 175.100 176.300 -0.134 0.000 1.603 383 R CA -0.544 55.467 56.100 -0.150 0.000 1.671 383 R CB -0.039 30.217 30.300 -0.074 0.000 1.300 383 R HN 0.532 nan 8.270 nan 0.000 0.668 384 Y N -0.022 120.261 120.300 -0.027 0.000 2.702 384 Y HA 0.036 4.586 4.550 -0.000 0.000 0.336 384 Y C 1.032 176.889 175.900 -0.072 0.000 1.235 384 Y CA 0.051 58.125 58.100 -0.043 0.000 1.492 384 Y CB 0.704 39.107 38.460 -0.095 0.000 1.308 384 Y HN 0.014 nan 8.280 nan 0.000 0.589 385 V N 4.394 124.425 119.914 0.194 0.000 2.384 385 V HA 0.072 4.192 4.120 -0.000 0.000 0.257 385 V C 0.191 176.373 176.094 0.147 0.000 0.969 385 V CA -0.836 61.547 62.300 0.137 0.000 0.910 385 V CB 0.633 32.563 31.823 0.180 0.000 1.150 385 V HN 0.799 nan 8.190 nan 0.000 0.481 386 D N 2.992 123.401 120.400 0.014 0.000 2.286 386 D HA -0.237 4.403 4.640 -0.000 0.000 0.195 386 D C 2.119 178.453 176.300 0.057 0.000 1.012 386 D CA 1.962 55.901 54.000 -0.101 0.000 0.901 386 D CB 0.026 40.715 40.800 -0.185 0.000 0.903 386 D HN 0.644 nan 8.370 nan 0.000 0.451 387 G N 0.215 109.052 108.800 0.062 0.000 2.509 387 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.218 387 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.218 387 G C 1.628 176.664 174.900 0.226 0.000 1.124 387 G CA 0.741 45.910 45.100 0.115 0.000 0.776 387 G HN 0.431 nan 8.290 nan 0.000 0.547 388 G N -0.269 108.681 108.800 0.250 0.000 2.598 388 G HA2 0.064 4.024 3.960 -0.000 0.000 0.215 388 G HA3 0.064 4.024 3.960 -0.000 0.000 0.215 388 G C 1.237 176.295 174.900 0.263 0.000 1.131 388 G CA 0.335 45.544 45.100 0.182 0.000 0.785 388 G HN 0.360 nan 8.290 nan 0.000 0.539 389 F N 0.164 120.196 119.950 0.136 0.000 2.514 389 F HA 0.423 4.950 4.527 -0.000 0.000 0.281 389 F C 1.466 177.471 175.800 0.341 0.000 1.060 389 F CA 0.368 58.455 58.000 0.145 0.000 1.397 389 F CB 0.125 38.922 39.000 -0.338 0.000 1.129 389 F HN 0.250 nan 8.300 nan 0.000 0.620 390 G N 0.474 109.543 108.800 0.450 0.000 3.363 390 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.685 390 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.685 390 G C -0.060 174.921 174.900 0.134 0.000 1.199 390 G CA -0.510 44.783 45.100 0.323 0.000 0.946 390 G HN -0.013 nan 8.290 nan 0.000 0.558 391 M N 2.306 121.890 119.600 -0.027 0.000 2.288 391 M HA 0.172 4.652 4.480 -0.000 0.000 0.266 391 M C 2.537 178.727 176.300 -0.183 0.000 1.072 391 M CA 2.547 57.778 55.300 -0.115 0.000 1.132 391 M CB -0.372 32.028 32.600 -0.334 0.000 1.386 391 M HN 0.851 nan 8.290 nan 0.000 0.432 392 G N -0.289 108.345 108.800 -0.275 0.000 2.424 392 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.214 392 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.214 392 G C 1.568 176.246 174.900 -0.370 0.000 1.202 392 G CA 0.868 45.614 45.100 -0.590 0.000 0.793 392 G HN 0.425 nan 8.290 nan 0.000 0.534 393 K N -0.468 119.893 120.400 -0.065 0.000 2.052 393 K HA -0.201 4.119 4.320 -0.000 0.000 0.215 393 K C 1.709 178.218 176.600 -0.153 0.000 1.053 393 K CA 1.541 57.769 56.287 -0.098 0.000 0.934 393 K CB -0.371 32.094 32.500 -0.058 0.000 0.717 393 K HN 0.381 nan 8.250 nan 0.000 0.450 394 Y N 1.144 121.384 120.300 -0.099 0.000 2.471 394 Y HA 0.098 4.648 4.550 -0.000 0.000 0.321 394 Y C 0.198 176.062 175.900 -0.061 0.000 1.195 394 Y CA 0.152 58.227 58.100 -0.042 0.000 1.272 394 Y CB -0.162 38.321 38.460 0.037 0.000 1.097 394 Y HN -0.108 nan 8.280 nan 0.000 0.507 395 T N 1.526 116.049 114.554 -0.053 0.000 2.799 395 T HA 0.139 4.489 4.350 -0.000 0.000 0.296 395 T C 0.582 175.248 174.700 -0.057 0.000 0.947 395 T CA -0.163 61.870 62.100 -0.111 0.000 1.141 395 T CB 0.117 68.767 68.868 -0.363 0.000 0.891 395 T HN 0.343 nan 8.240 nan 0.000 0.533 396 T N 3.427 117.974 114.554 -0.013 0.000 2.909 396 T HA 0.500 4.850 4.350 -0.000 0.000 0.286 396 T C -2.627 172.074 174.700 0.001 0.000 1.002 396 T CA -2.192 59.912 62.100 0.007 0.000 1.074 396 T CB 1.105 69.987 68.868 0.024 0.000 0.984 396 T HN 0.226 nan 8.240 nan 0.000 0.495 397 P HA 0.141 nan 4.420 nan 0.000 0.265 397 P C -0.371 176.951 177.300 0.037 0.000 1.193 397 P CA -0.320 62.804 63.100 0.041 0.000 0.765 397 P CB 0.524 32.255 31.700 0.052 0.000 0.823 398 L N 2.778 124.046 121.223 0.075 0.000 2.331 398 L HA 0.182 4.522 4.340 -0.000 0.000 0.278 398 L C 1.033 177.938 176.870 0.058 0.000 1.106 398 L CA -0.036 54.861 54.840 0.095 0.000 0.824 398 L CB 0.156 42.332 42.059 0.195 0.000 1.142 398 L HN 0.302 nan 8.230 nan 0.000 0.443 399 T N 3.757 118.311 114.554 -0.001 0.000 2.723 399 T HA 0.205 4.555 4.350 -0.000 0.000 0.297 399 T C 0.287 174.898 174.700 -0.149 0.000 0.925 399 T CA -0.572 61.479 62.100 -0.081 0.000 1.030 399 T CB -0.047 68.778 68.868 -0.070 0.000 0.905 399 T HN 0.420 nan 8.240 nan 0.000 0.502 400 R N 2.577 122.885 120.500 -0.319 0.000 2.483 400 R HA 0.317 4.657 4.340 -0.000 0.000 0.329 400 R C 1.445 177.239 176.300 -0.842 0.000 0.961 400 R CA 0.520 56.294 56.100 -0.543 0.000 1.041 400 R CB -0.304 29.547 30.300 -0.749 0.000 0.930 400 R HN 1.014 nan 8.270 nan 0.000 0.413 401 G N 1.139 109.556 108.800 -0.639 0.000 2.278 401 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.210 401 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.210 401 G C 0.510 175.311 174.900 -0.165 0.000 1.000 401 G CA 0.084 44.843 45.100 -0.569 0.000 0.635 401 G HN 0.428 nan 8.290 nan 0.000 0.495 402 V N 0.527 120.345 119.914 -0.160 0.000 2.840 402 V HA 0.182 4.302 4.120 -0.000 0.000 0.234 402 V C 2.152 178.179 176.094 -0.112 0.000 1.159 402 V CA 1.744 63.984 62.300 -0.101 0.000 1.194 402 V CB -0.020 31.755 31.823 -0.081 0.000 0.971 402 V HN 0.195 nan 8.190 nan 0.000 0.494 403 D N -0.226 120.115 120.400 -0.097 0.000 2.149 403 D HA -0.012 4.628 4.640 -0.000 0.000 0.201 403 D C 0.506 176.740 176.300 -0.110 0.000 0.972 403 D CA 1.036 54.985 54.000 -0.086 0.000 0.835 403 D CB 0.071 40.851 40.800 -0.033 0.000 0.966 403 D HN 0.396 nan 8.370 nan 0.000 0.476 404 c N -0.202 118.328 118.600 -0.117 0.000 2.994 404 c HA 0.387 4.957 4.570 -0.000 0.000 0.305 404 c C -2.475 171.441 174.090 -0.291 0.000 1.251 404 c CA -1.657 54.505 56.329 -0.278 0.000 1.478 404 c CB 2.001 44.349 42.510 -0.270 0.000 1.922 404 c HN 0.001 nan 8.230 nan 0.000 0.472 405 P HA -0.007 nan 4.420 nan 0.000 0.264 405 P C 0.227 177.491 177.300 -0.061 0.000 1.183 405 P CA 0.494 63.422 63.100 -0.286 0.000 0.763 405 P CB 0.150 31.593 31.700 -0.428 0.000 0.807 406 Y N 2.503 122.783 120.300 -0.032 0.000 2.405 406 Y HA -0.163 4.387 4.550 0.000 0.000 0.282 406 Y C 1.219 177.178 175.900 0.098 0.000 1.182 406 Y CA 1.215 59.337 58.100 0.037 0.000 1.312 406 Y CB -0.084 38.378 38.460 0.003 0.000 0.971 406 Y HN 0.289 nan 8.280 nan 0.000 0.560 407 L N -0.437 120.930 121.223 0.240 0.000 3.168 407 L HA 0.416 4.756 4.340 -0.000 0.000 0.277 407 L C 0.320 177.384 176.870 0.324 0.000 1.308 407 L CA -0.542 54.453 54.840 0.257 0.000 0.976 407 L CB 0.017 42.172 42.059 0.160 0.000 1.383 407 L HN -0.050 nan 8.230 nan 0.000 0.572 408 A N -0.455 122.568 122.820 0.339 0.000 2.269 408 A HA 0.755 5.075 4.320 -0.000 0.000 0.319 408 A C 0.191 178.002 177.584 0.377 0.000 1.110 408 A CA -0.229 52.004 52.037 0.326 0.000 0.847 408 A CB 0.662 19.623 19.000 -0.065 0.000 1.161 408 A HN 0.163 nan 8.150 nan 0.000 0.497 409 T N 1.024 115.790 114.554 0.354 0.000 2.845 409 T HA 0.519 4.869 4.350 -0.000 0.000 0.288 409 T C -1.287 173.491 174.700 0.129 0.000 0.980 409 T CA 0.618 62.931 62.100 0.355 0.000 1.071 409 T CB 0.051 69.183 68.868 0.439 0.000 0.941 409 T HN 0.343 nan 8.240 nan 0.000 0.487 410 Y N 1.130 121.562 120.300 0.220 0.000 2.376 410 Y HA 0.571 5.121 4.550 -0.000 0.000 0.340 410 Y C -0.017 176.019 175.900 0.227 0.000 0.965 410 Y CA -1.014 57.206 58.100 0.200 0.000 1.078 410 Y CB 1.307 39.851 38.460 0.141 0.000 1.193 410 Y HN 0.312 nan 8.280 nan 0.000 0.452 411 V N 3.051 123.203 119.914 0.396 0.000 2.881 411 V HA 0.418 4.538 4.120 -0.000 0.000 0.316 411 V C -0.350 176.005 176.094 0.435 0.000 1.070 411 V CA -0.962 61.589 62.300 0.420 0.000 0.976 411 V CB 1.953 34.069 31.823 0.488 0.000 1.038 411 V HN 0.672 nan 8.190 nan 0.000 0.446 412 D N 0.251 120.859 120.400 0.346 0.000 2.387 412 D HA 0.346 4.986 4.640 -0.000 0.000 0.255 412 D C -1.213 175.257 176.300 0.283 0.000 1.081 412 D CA -0.155 53.982 54.000 0.227 0.000 0.994 412 D CB 1.930 42.770 40.800 0.066 0.000 1.127 412 D HN 0.581 nan 8.370 nan 0.000 0.513 413 W N 1.824 123.074 121.300 -0.083 0.000 2.631 413 W HA 0.173 4.833 4.660 -0.000 0.000 0.321 413 W C -0.890 175.590 176.519 -0.064 0.000 1.004 413 W CA -0.476 56.861 57.345 -0.013 0.000 1.291 413 W CB 0.389 29.894 29.460 0.075 0.000 1.300 413 W HN 0.230 nan 8.180 nan 0.000 0.422 414 H N 6.314 125.277 119.070 -0.179 0.000 2.646 414 H HA 0.399 4.955 4.556 -0.000 0.000 0.325 414 H C -0.387 174.541 175.328 -0.666 0.000 1.075 414 H CA -0.049 55.793 56.048 -0.343 0.000 1.421 414 H CB 0.596 30.224 29.762 -0.223 0.000 1.461 414 H HN 0.383 nan 8.280 nan 0.000 0.525 415 F N 1.274 120.902 119.950 -0.537 0.000 2.613 415 F HA 0.517 5.044 4.527 -0.000 0.000 0.310 415 F C -1.692 173.910 175.800 -0.330 0.000 1.085 415 F CA -1.484 56.128 58.000 -0.648 0.000 0.945 415 F CB 1.321 39.765 39.000 -0.928 0.000 1.298 415 F HN 0.235 nan 8.300 nan 0.000 0.455 416 L N 4.217 125.370 121.223 -0.118 0.000 2.492 416 L HA 0.656 4.996 4.340 -0.000 0.000 0.258 416 L C -1.923 174.928 176.870 -0.031 0.000 1.028 416 L CA -0.482 54.290 54.840 -0.114 0.000 0.900 416 L CB 1.118 43.101 42.059 -0.126 0.000 1.191 416 L HN 0.723 nan 8.230 nan 0.000 0.459 417 L N 3.740 124.983 121.223 0.033 0.000 2.476 417 L HA 0.517 4.857 4.340 -0.000 0.000 0.269 417 L C -0.170 176.590 176.870 -0.183 0.000 0.965 417 L CA -0.805 53.938 54.840 -0.162 0.000 0.845 417 L CB 1.967 43.907 42.059 -0.198 0.000 1.259 417 L HN 0.447 nan 8.230 nan 0.000 0.403 418 E N 1.325 121.340 120.200 -0.309 0.000 2.240 418 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 418 E C -0.356 176.197 176.600 -0.077 0.000 1.385 418 E CA 0.764 57.076 56.400 -0.147 0.000 0.686 418 E CB -0.645 29.030 29.700 -0.042 0.000 1.125 418 E HN 0.588 nan 8.360 nan 0.000 0.359 419 S N -0.955 114.696 115.700 -0.080 0.000 2.688 419 S HA 0.219 4.689 4.470 -0.000 0.000 0.269 419 S C -0.470 174.088 174.600 -0.070 0.000 1.060 419 S CA -0.510 57.645 58.200 -0.076 0.000 0.844 419 S CB 1.713 64.864 63.200 -0.082 0.000 1.095 419 S HN 0.281 nan 8.310 nan 0.000 0.466 420 Q N -0.013 119.747 119.800 -0.066 0.000 2.214 420 Q HA 0.479 4.819 4.340 -0.000 0.000 0.229 420 Q C -0.133 175.827 176.000 -0.067 0.000 0.835 420 Q CA 0.181 55.953 55.803 -0.051 0.000 0.953 420 Q CB 1.301 30.022 28.738 -0.028 0.000 1.131 420 Q HN 0.667 nan 8.270 nan 0.000 0.501 421 A N 2.274 125.037 122.820 -0.095 0.000 2.343 421 A HA 0.582 4.902 4.320 -0.000 0.000 0.316 421 A C -2.605 174.872 177.584 -0.179 0.000 1.104 421 A CA -1.626 50.343 52.037 -0.114 0.000 0.768 421 A CB 0.710 19.651 19.000 -0.098 0.000 1.213 421 A HN -0.080 nan 8.150 nan 0.000 0.456 422 P HA 0.234 nan 4.420 nan 0.000 0.268 422 P C -0.778 176.301 177.300 -0.369 0.000 1.204 422 P CA 0.281 63.195 63.100 -0.310 0.000 0.768 422 P CB 0.823 32.375 31.700 -0.246 0.000 0.842 423 K N 1.206 121.211 120.400 -0.658 0.000 2.346 423 K HA 0.688 5.008 4.320 -0.000 0.000 0.238 423 K C -0.272 175.965 176.600 -0.605 0.000 1.039 423 K CA -0.727 55.201 56.287 -0.598 0.000 0.861 423 K CB 1.653 33.762 32.500 -0.651 0.000 1.278 423 K HN 0.318 nan 8.250 nan 0.000 0.460 424 T N 0.909 115.343 114.554 -0.200 0.000 2.893 424 T HA 0.462 4.812 4.350 -0.000 0.000 0.293 424 T C -0.472 174.348 174.700 0.199 0.000 1.027 424 T CA -0.674 61.442 62.100 0.027 0.000 0.988 424 T CB 0.931 69.883 68.868 0.141 0.000 1.043 424 T HN 0.332 nan 8.240 nan 0.000 0.461 425 I N 2.944 123.699 120.570 0.308 0.000 2.312 425 I HA 0.364 4.534 4.170 -0.000 0.000 0.290 425 I C 0.623 176.855 176.117 0.191 0.000 1.008 425 I CA -0.696 60.775 61.300 0.284 0.000 1.226 425 I CB 0.959 39.157 38.000 0.330 0.000 1.371 425 I HN 0.321 nan 8.210 nan 0.000 0.468 426 R N 4.564 125.151 120.500 0.145 0.000 2.441 426 R HA 0.203 4.543 4.340 -0.000 0.000 0.284 426 R C -0.439 175.946 176.300 0.141 0.000 1.070 426 R CA -0.418 55.762 56.100 0.134 0.000 1.047 426 R CB 0.368 30.728 30.300 0.099 0.000 1.016 426 R HN 0.614 nan 8.270 nan 0.000 0.477 427 D N 1.000 121.519 120.400 0.198 0.000 2.723 427 D HA -0.230 4.410 4.640 -0.000 0.000 0.236 427 D C 0.688 177.095 176.300 0.177 0.000 1.138 427 D CA 1.041 55.205 54.000 0.273 0.000 0.676 427 D CB -1.118 39.834 40.800 0.253 0.000 1.069 427 D HN 0.708 nan 8.370 nan 0.000 0.430 428 A N -0.983 121.892 122.820 0.092 0.000 1.902 428 A HA 0.157 4.477 4.320 -0.000 0.000 0.217 428 A C 0.702 178.064 177.584 -0.370 0.000 1.181 428 A CA 1.027 52.936 52.037 -0.213 0.000 0.623 428 A CB -0.023 18.745 19.000 -0.388 0.000 0.818 428 A HN 0.300 nan 8.150 nan 0.000 0.443 429 F N -2.015 117.959 119.950 0.040 0.000 2.598 429 F HA 0.574 5.101 4.527 -0.000 0.000 0.327 429 F C 0.175 175.914 175.800 -0.102 0.000 1.057 429 F CA -1.295 56.658 58.000 -0.078 0.000 0.957 429 F CB 1.335 40.193 39.000 -0.236 0.000 1.278 429 F HN 0.263 nan 8.300 nan 0.000 0.484 430 c N 0.433 119.045 118.600 0.020 0.000 2.686 430 c HA 0.931 5.501 4.570 -0.000 0.000 0.318 430 c C -1.353 172.695 174.090 -0.070 0.000 1.160 430 c CA -0.835 55.382 56.329 -0.187 0.000 1.396 430 c CB 0.626 42.830 42.510 -0.509 0.000 1.924 430 c HN 0.700 nan 8.230 nan 0.000 0.471 431 V N 4.435 124.319 119.914 -0.050 0.000 2.604 431 V HA 0.934 5.054 4.120 -0.000 0.000 0.305 431 V C -0.227 175.833 176.094 -0.057 0.000 1.043 431 V CA -0.088 62.099 62.300 -0.188 0.000 0.888 431 V CB 1.435 33.123 31.823 -0.226 0.000 0.995 431 V HN 1.094 nan 8.190 nan 0.000 0.429 432 F N 0.961 120.697 119.950 -0.358 0.000 2.807 432 F HA 0.671 5.198 4.527 -0.000 0.000 0.316 432 F C -0.970 174.793 175.800 -0.062 0.000 1.162 432 F CA -1.114 56.843 58.000 -0.071 0.000 0.910 432 F CB 1.439 40.514 39.000 0.126 0.000 1.314 432 F HN 0.359 nan 8.300 nan 0.000 0.454 433 E N 0.981 121.498 120.200 0.528 0.000 2.166 433 E HA 0.393 4.743 4.350 -0.000 0.000 0.275 433 E C -1.559 175.316 176.600 0.457 0.000 0.941 433 E CA -0.946 55.686 56.400 0.387 0.000 0.784 433 E CB 2.021 32.064 29.700 0.572 0.000 1.115 433 E HN 0.524 nan 8.360 nan 0.000 0.399 434 Q N 2.999 122.963 119.800 0.273 0.000 2.325 434 Q HA 0.187 4.527 4.340 -0.000 0.000 0.270 434 Q C -1.158 174.934 176.000 0.154 0.000 1.020 434 Q CA -0.630 55.329 55.803 0.260 0.000 0.785 434 Q CB 1.003 29.938 28.738 0.328 0.000 1.259 434 Q HN 0.339 nan 8.270 nan 0.000 0.452 435 N N 3.080 121.853 118.700 0.121 0.000 2.430 435 N HA 0.032 4.772 4.740 -0.000 0.000 0.265 435 N C 0.159 175.718 175.510 0.082 0.000 1.100 435 N CA 0.153 53.258 53.050 0.093 0.000 0.961 435 N CB 1.039 39.561 38.487 0.058 0.000 1.075 435 N HN 0.652 nan 8.380 nan 0.000 0.478 436 Q N 2.827 122.679 119.800 0.088 0.000 2.230 436 Q HA 0.030 4.370 4.340 -0.000 0.000 0.202 436 Q C 1.148 177.185 176.000 0.061 0.000 0.963 436 Q CA 1.082 56.933 55.803 0.080 0.000 0.866 436 Q CB 0.117 28.913 28.738 0.097 0.000 0.931 436 Q HN 0.942 nan 8.270 nan 0.000 0.452 437 G N 0.698 109.533 108.800 0.058 0.000 2.268 437 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.240 437 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.240 437 G C -0.057 174.873 174.900 0.049 0.000 1.010 437 G CA 0.294 45.421 45.100 0.046 0.000 0.618 437 G HN 0.319 nan 8.290 nan 0.000 0.516 438 L N 3.645 124.902 121.223 0.056 0.000 2.325 438 L HA 0.726 5.066 4.340 -0.000 0.000 0.279 438 L C -1.723 175.189 176.870 0.070 0.000 1.054 438 L CA -2.264 52.609 54.840 0.056 0.000 0.804 438 L CB 0.944 43.033 42.059 0.049 0.000 1.200 438 L HN 0.065 nan 8.230 nan 0.000 0.436 439 P HA 0.047 nan 4.420 nan 0.000 0.277 439 P C 0.173 177.516 177.300 0.071 0.000 1.240 439 P CA -0.465 62.687 63.100 0.087 0.000 0.798 439 P CB 1.443 33.208 31.700 0.108 0.000 0.979 440 L N 2.391 123.660 121.223 0.075 0.000 2.049 440 L HA 0.071 4.411 4.340 -0.000 0.000 0.203 440 L C 0.979 177.870 176.870 0.034 0.000 1.074 440 L CA 1.788 56.663 54.840 0.058 0.000 0.749 440 L CB -0.528 41.577 42.059 0.076 0.000 0.907 440 L HN 0.516 nan 8.230 nan 0.000 0.439 441 R N -0.537 119.987 120.500 0.040 0.000 2.725 441 R HA 0.724 5.064 4.340 -0.000 0.000 0.277 441 R C -0.889 175.431 176.300 0.033 0.000 0.987 441 R CA -0.844 55.270 56.100 0.023 0.000 0.901 441 R CB 1.220 31.524 30.300 0.006 0.000 1.207 441 R HN -0.000 nan 8.270 nan 0.000 0.463 442 R N 1.896 122.419 120.500 0.038 0.000 2.633 442 R HA 0.250 4.590 4.340 -0.000 0.000 0.256 442 R C -2.130 174.244 176.300 0.123 0.000 1.131 442 R CA -0.715 55.420 56.100 0.057 0.000 0.994 442 R CB 1.666 32.069 30.300 0.172 0.000 1.261 442 R HN 0.974 nan 8.270 nan 0.000 0.446 443 H N 1.941 120.947 119.070 -0.108 0.000 3.083 443 H HA 0.348 4.904 4.556 -0.000 0.000 0.339 443 H C -1.789 173.556 175.328 0.028 0.000 1.020 443 H CA -0.329 55.708 56.048 -0.019 0.000 1.360 443 H CB 0.908 30.655 29.762 -0.026 0.000 1.811 443 H HN 0.682 nan 8.280 nan 0.000 0.493 444 H N 2.987 121.824 119.070 -0.389 0.000 2.581 444 H HA 0.474 5.029 4.556 -0.000 0.000 0.308 444 H C -0.814 174.091 175.328 -0.704 0.000 1.040 444 H CA -0.135 55.752 56.048 -0.268 0.000 1.231 444 H CB 0.966 30.692 29.762 -0.061 0.000 1.396 444 H HN 0.443 nan 8.280 nan 0.000 0.467 445 S N 3.317 118.423 115.700 -0.990 0.000 2.433 445 S HA 0.194 4.664 4.470 -0.000 0.000 0.310 445 S C -0.113 174.003 174.600 -0.806 0.000 1.097 445 S CA -0.705 56.922 58.200 -0.956 0.000 1.103 445 S CB 0.514 62.819 63.200 -1.492 0.000 0.992 445 S HN 0.787 nan 8.310 nan 0.000 0.469 446 D N 3.005 123.016 120.400 -0.648 0.000 2.474 446 D HA 0.127 4.767 4.640 -0.000 0.000 0.213 446 D C -0.190 175.709 176.300 -0.668 0.000 1.120 446 D CA -0.066 53.350 54.000 -0.973 0.000 0.836 446 D CB 0.394 40.880 40.800 -0.524 0.000 1.019 446 D HN 0.386 nan 8.370 nan 0.000 0.507 447 L N 1.006 121.983 121.223 -0.410 0.000 2.278 447 L HA 0.148 4.488 4.340 -0.000 0.000 0.287 447 L C 0.360 177.143 176.870 -0.146 0.000 1.072 447 L CA 0.145 54.779 54.840 -0.343 0.000 0.819 447 L CB -0.281 41.535 42.059 -0.405 0.000 1.176 447 L HN 0.168 nan 8.230 nan 0.000 0.435 448 Y N 1.182 121.517 120.300 0.057 0.000 3.049 448 Y HA -0.383 4.167 4.550 -0.000 0.000 0.478 448 Y C 0.877 176.873 175.900 0.159 0.000 1.177 448 Y CA 1.173 59.333 58.100 0.101 0.000 2.663 448 Y CB -1.255 37.257 38.460 0.087 0.000 0.854 448 Y HN 0.689 nan 8.280 nan 0.000 0.525 449 S N 0.164 116.069 115.700 0.342 0.000 2.689 449 S HA 0.348 4.818 4.470 -0.000 0.000 0.274 449 S C -1.094 173.690 174.600 0.307 0.000 1.176 449 S CA -0.649 57.776 58.200 0.374 0.000 1.014 449 S CB 0.623 64.079 63.200 0.426 0.000 1.071 449 S HN 0.274 nan 8.310 nan 0.000 0.478 450 H N 4.391 123.514 119.070 0.088 0.000 2.767 450 H HA 0.441 4.997 4.556 -0.000 0.000 0.316 450 H C -0.620 174.736 175.328 0.046 0.000 1.059 450 H CA 0.160 56.175 56.048 -0.055 0.000 1.461 450 H CB 0.525 30.272 29.762 -0.025 0.000 1.475 450 H HN 0.716 nan 8.280 nan 0.000 0.531 451 Y N 1.648 121.931 120.300 -0.027 0.000 2.732 451 Y HA 0.422 4.972 4.550 -0.000 0.000 0.342 451 Y C -2.337 173.409 175.900 -0.256 0.000 1.203 451 Y CA -1.683 56.353 58.100 -0.107 0.000 1.092 451 Y CB 0.986 39.442 38.460 -0.006 0.000 1.345 451 Y HN 0.420 nan 8.280 nan 0.000 0.458 452 F N 1.127 120.827 119.950 -0.417 0.000 2.581 452 F HA 0.904 5.431 4.527 -0.000 0.000 0.311 452 F C -0.806 174.752 175.800 -0.404 0.000 1.113 452 F CA -0.707 56.956 58.000 -0.563 0.000 0.935 452 F CB 2.416 40.831 39.000 -0.975 0.000 1.232 452 F HN 1.010 nan 8.300 nan 0.000 0.445 453 G N 2.459 110.509 108.800 -1.249 0.000 2.741 453 G HA2 0.623 4.583 3.960 -0.000 0.000 0.293 453 G HA3 0.623 4.583 3.960 -0.000 0.000 0.293 453 G C -1.234 173.168 174.900 -0.830 0.000 1.457 453 G CA -0.291 44.411 45.100 -0.663 0.000 1.098 453 G HN 1.199 nan 8.290 nan 0.000 0.536 454 G N -0.647 107.867 108.800 -0.477 0.000 2.634 454 G HA2 0.744 4.704 3.960 -0.000 0.000 0.309 454 G HA3 0.744 4.704 3.960 -0.000 0.000 0.309 454 G C -2.202 172.709 174.900 0.017 0.000 1.299 454 G CA -0.692 44.302 45.100 -0.176 0.000 0.798 454 G HN 1.555 nan 8.290 nan 0.000 0.490 455 L N -0.154 121.115 121.223 0.076 0.000 2.737 455 L HA 0.730 5.070 4.340 -0.000 0.000 0.261 455 L C -0.067 176.866 176.870 0.106 0.000 0.949 455 L CA -0.388 54.507 54.840 0.091 0.000 0.952 455 L CB 1.128 43.224 42.059 0.062 0.000 1.337 455 L HN 1.346 nan 8.230 nan 0.000 0.430 456 A N 3.849 126.740 122.820 0.117 0.000 2.444 456 A HA 0.376 4.696 4.320 -0.000 0.000 0.273 456 A C 0.305 177.953 177.584 0.106 0.000 1.136 456 A CA -0.088 52.014 52.037 0.108 0.000 0.799 456 A CB -0.073 18.988 19.000 0.102 0.000 1.081 456 A HN 0.769 nan 8.150 nan 0.000 0.509 457 E N 2.682 122.946 120.200 0.108 0.000 2.366 457 E HA 0.207 4.557 4.350 -0.000 0.000 0.266 457 E C -0.704 175.974 176.600 0.130 0.000 1.015 457 E CA 0.221 56.698 56.400 0.128 0.000 0.906 457 E CB 0.373 30.157 29.700 0.141 0.000 0.979 457 E HN 0.508 nan 8.360 nan 0.000 0.443 458 T N 4.702 119.341 114.554 0.141 0.000 2.809 458 T HA 0.370 4.720 4.350 -0.000 0.000 0.284 458 T C -0.416 174.365 174.700 0.135 0.000 0.992 458 T CA -0.712 61.470 62.100 0.138 0.000 0.957 458 T CB 1.124 70.081 68.868 0.148 0.000 0.942 458 T HN 0.428 nan 8.240 nan 0.000 0.439 459 V N 1.824 121.785 119.914 0.077 0.000 3.093 459 V HA 0.838 4.958 4.120 -0.000 0.000 0.320 459 V C -0.647 175.404 176.094 -0.071 0.000 1.093 459 V CA -1.237 61.042 62.300 -0.034 0.000 1.016 459 V CB 1.571 33.263 31.823 -0.219 0.000 1.096 459 V HN 0.654 nan 8.190 nan 0.000 0.452 460 L N 2.174 123.311 121.223 -0.142 0.000 2.318 460 L HA 0.717 5.056 4.340 -0.000 0.000 0.277 460 L C -0.582 176.089 176.870 -0.331 0.000 1.008 460 L CA -0.019 54.697 54.840 -0.208 0.000 0.846 460 L CB 1.225 43.257 42.059 -0.045 0.000 1.220 460 L HN 0.637 nan 8.230 nan 0.000 0.423 461 V N 5.354 124.861 119.914 -0.680 0.000 2.532 461 V HA 0.597 4.717 4.120 -0.000 0.000 0.295 461 V C -0.417 175.281 176.094 -0.659 0.000 1.041 461 V CA -0.669 61.183 62.300 -0.745 0.000 0.926 461 V CB 1.989 33.179 31.823 -1.055 0.000 0.992 461 V HN 0.453 nan 8.190 nan 0.000 0.457 462 V N 5.213 124.900 119.914 -0.377 0.000 2.443 462 V HA 0.566 4.686 4.120 -0.000 0.000 0.293 462 V C -0.091 175.910 176.094 -0.155 0.000 1.021 462 V CA -0.624 61.514 62.300 -0.269 0.000 0.848 462 V CB 1.609 33.289 31.823 -0.238 0.000 0.998 462 V HN 0.897 nan 8.190 nan 0.000 0.424 463 R N 2.796 123.263 120.500 -0.056 0.000 2.854 463 R HA 0.854 5.194 4.340 -0.000 0.000 0.271 463 R C -0.871 175.476 176.300 0.079 0.000 0.996 463 R CA -0.304 55.817 56.100 0.036 0.000 0.961 463 R CB 2.058 32.405 30.300 0.077 0.000 1.182 463 R HN 0.722 nan 8.270 nan 0.000 0.479 464 S N 2.831 118.590 115.700 0.099 0.000 2.543 464 S HA 0.469 4.939 4.470 -0.000 0.000 0.273 464 S C -1.418 173.258 174.600 0.126 0.000 1.152 464 S CA -0.781 57.446 58.200 0.045 0.000 0.910 464 S CB 1.213 64.418 63.200 0.009 0.000 1.105 464 S HN 0.572 nan 8.310 nan 0.000 0.465 465 M N 3.185 122.806 119.600 0.034 0.000 2.321 465 M HA 0.439 4.919 4.480 -0.000 0.000 0.315 465 M C -0.589 175.773 176.300 0.102 0.000 1.052 465 M CA -0.591 54.740 55.300 0.051 0.000 0.936 465 M CB 2.195 34.782 32.600 -0.022 0.000 1.639 465 M HN 0.605 nan 8.290 nan 0.000 0.433 466 S N 1.819 117.666 115.700 0.245 0.000 2.566 466 S HA 0.465 4.935 4.470 -0.000 0.000 0.324 466 S C -0.633 174.119 174.600 0.253 0.000 1.081 466 S CA -0.501 57.867 58.200 0.280 0.000 1.105 466 S CB 0.707 64.190 63.200 0.472 0.000 0.981 466 S HN 0.668 nan 8.310 nan 0.000 0.464 467 T N 6.861 121.518 114.554 0.172 0.000 2.910 467 T HA 0.336 4.686 4.350 -0.000 0.000 0.323 467 T C -0.166 174.635 174.700 0.168 0.000 1.091 467 T CA -0.259 61.910 62.100 0.114 0.000 0.960 467 T CB -0.238 68.674 68.868 0.073 0.000 1.024 467 T HN 0.570 nan 8.240 nan 0.000 0.509 468 L N 5.784 127.044 121.223 0.063 0.000 2.328 468 L HA 0.360 4.700 4.340 -0.000 0.000 0.280 468 L C 1.029 177.782 176.870 -0.196 0.000 1.111 468 L CA -0.104 54.655 54.840 -0.135 0.000 0.909 468 L CB -0.293 41.609 42.059 -0.262 0.000 1.277 468 L HN 0.685 nan 8.230 nan 0.000 0.433 469 L N 0.167 121.380 121.223 -0.018 0.000 4.155 469 L HA -0.391 3.949 4.340 -0.000 0.000 0.053 469 L C 0.839 177.682 176.870 -0.045 0.000 4.015 469 L CA 1.645 56.501 54.840 0.026 0.000 0.957 469 L CB -0.965 41.021 42.059 -0.122 0.000 3.356 469 L HN 0.906 nan 8.230 nan 0.000 0.924 473 Y N 0.404 120.605 120.300 -0.165 0.000 2.320 473 Y HA 0.602 5.152 4.550 -0.000 0.000 0.324 473 Y C 0.267 175.796 175.900 -0.618 0.000 1.190 473 Y CA -0.760 57.096 58.100 -0.407 0.000 1.215 473 Y CB 1.401 39.583 38.460 -0.463 0.000 1.221 473 Y HN 0.142 nan 8.280 nan 0.000 0.486 474 V N 2.294 121.887 119.914 -0.535 0.000 2.349 474 V HA 0.179 4.299 4.120 -0.000 0.000 0.284 474 V C -1.339 174.498 176.094 -0.428 0.000 1.014 474 V CA -1.270 60.793 62.300 -0.395 0.000 0.826 474 V CB 0.219 31.919 31.823 -0.205 0.000 1.009 474 V HN 0.677 nan 8.190 nan 0.000 0.431 475 W N 2.742 124.129 121.300 0.144 0.000 2.357 475 W HA 0.568 5.228 4.660 -0.000 0.000 0.317 475 W C -0.068 176.466 176.519 0.024 0.000 1.101 475 W CA -0.361 57.047 57.345 0.104 0.000 1.380 475 W CB 0.718 30.191 29.460 0.022 0.000 1.266 475 W HN 0.420 nan 8.180 nan 0.000 0.419 476 D N 1.868 122.371 120.400 0.172 0.000 2.308 476 D HA 0.395 5.034 4.640 -0.000 0.000 0.242 476 D C -0.588 175.602 176.300 -0.184 0.000 1.059 476 D CA -0.269 53.728 54.000 -0.004 0.000 0.830 476 D CB 1.571 42.391 40.800 0.032 0.000 1.161 476 D HN 0.040 nan 8.370 nan 0.000 0.494 477 T N 2.010 116.394 114.554 -0.284 0.000 2.934 477 T HA 0.340 4.690 4.350 -0.000 0.000 0.328 477 T C -0.340 173.967 174.700 -0.655 0.000 1.068 477 T CA -0.572 61.214 62.100 -0.524 0.000 1.018 477 T CB 0.771 69.343 68.868 -0.494 0.000 1.009 477 T HN -0.002 nan 8.240 nan 0.000 0.471 478 V N 4.116 123.585 119.914 -0.741 0.000 2.407 478 V HA 0.505 4.625 4.120 -0.000 0.000 0.278 478 V C -0.552 174.894 176.094 -1.081 0.000 1.037 478 V CA -0.778 61.081 62.300 -0.735 0.000 0.900 478 V CB 0.569 32.073 31.823 -0.532 0.000 0.983 478 V HN 0.756 nan 8.190 nan 0.000 0.459 479 F N 3.836 123.329 119.950 -0.762 0.000 2.361 479 F HA 0.475 5.001 4.527 -0.000 0.000 0.364 479 F C 0.774 176.239 175.800 -0.560 0.000 1.117 479 F CA -0.445 56.977 58.000 -0.964 0.000 1.071 479 F CB 0.700 38.857 39.000 -1.405 0.000 1.188 479 F HN 0.500 nan 8.300 nan 0.000 0.464 480 H N 4.654 123.745 119.070 0.035 0.000 2.511 480 H HA 0.149 4.705 4.556 -0.000 0.000 0.346 480 H C -1.575 174.023 175.328 0.449 0.000 1.128 480 H CA -1.630 54.555 56.048 0.229 0.000 1.342 480 H CB 1.424 31.263 29.762 0.128 0.000 1.470 480 H HN 0.338 nan 8.280 nan 0.000 0.546 481 P HA -0.120 nan 4.420 nan 0.000 0.225 481 P C 1.069 178.491 177.300 0.204 0.000 1.148 481 P CA 1.010 64.314 63.100 0.340 0.000 0.779 481 P CB 0.229 32.080 31.700 0.253 0.000 0.780 482 S N -1.739 114.048 115.700 0.145 0.000 2.593 482 S HA 0.297 4.767 4.470 -0.000 0.000 0.217 482 S C 1.644 176.123 174.600 -0.202 0.000 0.966 482 S CA 0.500 58.694 58.200 -0.010 0.000 0.914 482 S CB -1.118 62.081 63.200 -0.001 0.000 0.776 482 S HN 0.295 nan 8.310 nan 0.000 0.523 483 G N 0.484 109.067 108.800 -0.361 0.000 2.176 483 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.253 483 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.253 483 G C 0.219 175.257 174.900 0.231 0.000 0.979 483 G CA -0.098 44.545 45.100 -0.762 0.000 0.641 483 G HN 1.300 nan 8.290 nan 0.000 0.530 484 A N -0.022 122.967 122.820 0.283 0.000 2.327 484 A HA 0.783 5.103 4.320 -0.000 0.000 0.283 484 A C 0.207 177.954 177.584 0.273 0.000 1.127 484 A CA -0.199 52.028 52.037 0.317 0.000 0.810 484 A CB 0.528 19.623 19.000 0.159 0.000 1.066 484 A HN 0.738 nan 8.150 nan 0.000 0.492 485 I N 1.475 122.121 120.570 0.128 0.000 2.406 485 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 485 I C 0.154 176.099 176.117 -0.286 0.000 0.999 485 I CA -0.214 60.914 61.300 -0.287 0.000 1.124 485 I CB 1.767 39.505 38.000 -0.436 0.000 1.289 485 I HN 0.823 nan 8.210 nan 0.000 0.441 486 E N 6.459 126.357 120.200 -0.502 0.000 2.207 486 E HA 0.585 4.934 4.350 -0.000 0.000 0.270 486 E C -1.425 174.638 176.600 -0.895 0.000 0.927 486 E CA -0.704 55.226 56.400 -0.784 0.000 0.799 486 E CB 1.818 31.158 29.700 -0.601 0.000 1.172 486 E HN 0.351 nan 8.360 nan 0.000 0.404 487 I N 4.184 124.093 120.570 -1.102 0.000 2.500 487 I HA 0.403 4.573 4.170 -0.000 0.000 0.286 487 I C -0.497 175.090 176.117 -0.883 0.000 1.063 487 I CA -0.614 60.038 61.300 -1.079 0.000 1.062 487 I CB 1.076 38.029 38.000 -1.746 0.000 1.223 487 I HN 0.544 nan 8.210 nan 0.000 0.435 488 R N 5.588 125.787 120.500 -0.502 0.000 2.837 488 R HA 0.715 5.055 4.340 -0.000 0.000 0.271 488 R C -1.295 174.967 176.300 -0.062 0.000 0.993 488 R CA -0.816 55.062 56.100 -0.370 0.000 0.931 488 R CB 3.252 33.333 30.300 -0.364 0.000 1.206 488 R HN 0.514 nan 8.270 nan 0.000 0.474 489 F N 0.243 119.999 119.950 -0.325 0.000 2.604 489 F HA 0.562 5.089 4.527 -0.000 0.000 0.316 489 F C -2.077 173.507 175.800 -0.360 0.000 1.136 489 F CA -1.065 56.815 58.000 -0.201 0.000 0.989 489 F CB 1.090 40.120 39.000 0.051 0.000 1.258 489 F HN 0.346 nan 8.300 nan 0.000 0.451 490 Y N 3.011 123.037 120.300 -0.456 0.000 2.509 490 Y HA 0.810 5.360 4.550 0.000 0.000 0.341 490 Y C -0.152 175.522 175.900 -0.377 0.000 1.038 490 Y CA -1.648 56.147 58.100 -0.508 0.000 1.089 490 Y CB 2.101 40.346 38.460 -0.359 0.000 1.241 490 Y HN 0.947 nan 8.280 nan 0.000 0.468 491 A N 1.693 124.373 122.820 -0.232 0.000 2.277 491 A HA 0.637 4.957 4.320 -0.000 0.000 0.318 491 A C -0.100 177.318 177.584 -0.277 0.000 1.339 491 A CA -0.384 51.460 52.037 -0.322 0.000 0.875 491 A CB 0.639 19.356 19.000 -0.471 0.000 1.158 491 A HN 0.727 nan 8.150 nan 0.000 0.514 492 T N 1.215 115.595 114.554 -0.291 0.000 2.762 492 T HA 0.839 5.189 4.350 -0.000 0.000 0.272 492 T C 0.632 175.168 174.700 -0.272 0.000 0.982 492 T CA 1.016 62.968 62.100 -0.247 0.000 1.013 492 T CB 1.082 69.814 68.868 -0.226 0.000 1.309 492 T HN 2.530 nan 8.240 nan 0.000 0.572 493 G N 0.221 108.855 108.800 -0.277 0.000 2.484 493 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.225 493 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.225 493 G C -1.285 173.375 174.900 -0.401 0.000 1.250 493 G CA -0.175 44.730 45.100 -0.324 0.000 0.926 493 G HN 0.836 nan 8.290 nan 0.000 0.581 494 Y N 1.027 121.089 120.300 -0.398 0.000 2.308 494 Y HA 0.567 5.117 4.550 -0.000 0.000 0.329 494 Y C 1.529 177.192 175.900 -0.395 0.000 1.111 494 Y CA -0.055 57.779 58.100 -0.443 0.000 1.179 494 Y CB 0.907 38.901 38.460 -0.775 0.000 1.201 494 Y HN 0.660 nan 8.280 nan 0.000 0.483 495 I N -0.872 119.663 120.570 -0.057 0.000 2.834 495 I HA 0.471 4.641 4.170 -0.000 0.000 0.305 495 I C -0.201 175.890 176.117 -0.044 0.000 1.008 495 I CA -0.649 60.630 61.300 -0.035 0.000 1.273 495 I CB 1.084 39.088 38.000 0.007 0.000 1.432 495 I HN 0.332 nan 8.210 nan 0.000 0.557 496 S N 2.711 118.401 115.700 -0.016 0.000 2.404 496 S HA 0.326 4.796 4.470 -0.000 0.000 0.309 496 S C 0.053 174.706 174.600 0.089 0.000 1.076 496 S CA -0.717 57.501 58.200 0.031 0.000 1.095 496 S CB 0.385 63.547 63.200 -0.064 0.000 0.972 496 S HN 0.798 nan 8.310 nan 0.000 0.484 497 S N 2.682 118.474 115.700 0.154 0.000 2.651 497 S HA 0.913 5.383 4.470 -0.000 0.000 0.291 497 S C -0.133 174.580 174.600 0.188 0.000 1.141 497 S CA -0.793 57.489 58.200 0.138 0.000 1.027 497 S CB 1.616 64.880 63.200 0.106 0.000 1.043 497 S HN 0.772 nan 8.310 nan 0.000 0.530 498 A N 1.073 123.911 122.820 0.031 0.000 2.437 498 A HA 0.754 5.074 4.320 -0.000 0.000 0.292 498 A C -0.855 176.633 177.584 -0.159 0.000 1.173 498 A CA -0.869 51.052 52.037 -0.194 0.000 0.785 498 A CB 0.639 19.491 19.000 -0.246 0.000 1.351 498 A HN 0.953 nan 8.150 nan 0.000 0.431 499 F N 0.710 120.396 119.950 -0.439 0.000 2.495 499 F HA 0.440 4.967 4.527 -0.000 0.000 0.365 499 F C -0.007 175.845 175.800 0.087 0.000 1.090 499 F CA -0.645 57.307 58.000 -0.080 0.000 1.235 499 F CB 0.630 39.596 39.000 -0.057 0.000 1.119 499 F HN 0.386 nan 8.300 nan 0.000 0.562 500 L N 9.399 130.076 121.223 -0.910 0.000 2.281 500 L HA 0.433 4.773 4.340 -0.000 0.000 0.285 500 L C -1.189 175.228 176.870 -0.754 0.000 1.074 500 L CA -0.359 54.069 54.840 -0.686 0.000 0.817 500 L CB -0.406 41.419 42.059 -0.389 0.000 1.168 500 L HN 0.525 nan 8.230 nan 0.000 0.434 501 F N 3.056 122.772 119.950 -0.390 0.000 2.665 501 F HA 0.869 5.396 4.527 -0.000 0.000 0.308 501 F C 0.092 175.872 175.800 -0.034 0.000 1.112 501 F CA -0.315 57.602 58.000 -0.139 0.000 0.972 501 F CB 0.737 39.785 39.000 0.081 0.000 1.295 501 F HN 0.932 nan 8.300 nan 0.000 0.440 502 G N 0.651 109.473 108.800 0.037 0.000 2.728 502 G HA2 0.396 4.356 3.960 -0.000 0.000 0.294 502 G HA3 0.396 4.356 3.960 -0.000 0.000 0.294 502 G C -0.576 174.286 174.900 -0.062 0.000 1.342 502 G CA -0.345 44.745 45.100 -0.017 0.000 0.866 502 G HN 2.098 nan 8.290 nan 0.000 0.534 503 A N -0.119 122.687 122.820 -0.023 0.000 2.438 503 A HA 0.593 4.913 4.320 -0.000 0.000 0.280 503 A C 0.939 178.503 177.584 -0.033 0.000 1.160 503 A CA 1.150 53.178 52.037 -0.016 0.000 0.821 503 A CB -0.051 18.955 19.000 0.009 0.000 1.101 503 A HN 1.531 nan 8.150 nan 0.000 0.515 504 T N 3.606 118.131 114.554 -0.048 0.000 3.182 504 T HA 0.390 4.739 4.350 -0.000 0.000 0.274 504 T C 1.308 175.983 174.700 -0.042 0.000 0.997 504 T CA 0.762 62.833 62.100 -0.048 0.000 1.082 504 T CB 0.172 69.003 68.868 -0.061 0.000 1.005 504 T HN 0.861 nan 8.240 nan 0.000 0.688 505 G N 2.536 111.307 108.800 -0.047 0.000 2.446 505 G HA2 0.106 4.066 3.960 -0.000 0.000 0.200 505 G HA3 0.106 4.066 3.960 -0.000 0.000 0.200 505 G C 0.800 175.590 174.900 -0.183 0.000 1.707 505 G CA -0.626 44.418 45.100 -0.094 0.000 0.697 505 G HN 0.560 nan 8.290 nan 0.000 0.675 506 K N 0.414 120.597 120.400 -0.361 0.000 2.551 506 K HA 0.264 4.584 4.320 -0.000 0.000 0.204 506 K C -0.134 175.861 176.600 -1.009 0.000 1.033 506 K CA 0.196 56.088 56.287 -0.658 0.000 1.187 506 K CB -0.055 32.002 32.500 -0.738 0.000 0.900 506 K HN 0.503 nan 8.250 nan 0.000 0.499 507 Y N -0.206 120.045 120.300 -0.081 0.000 2.666 507 Y HA 0.273 4.823 4.550 -0.000 0.000 0.260 507 Y C 0.891 176.746 175.900 -0.075 0.000 1.089 507 Y CA -0.313 57.737 58.100 -0.082 0.000 1.246 507 Y CB 1.884 40.278 38.460 -0.111 0.000 1.353 507 Y HN 0.315 nan 8.280 nan 0.000 0.558 508 G N 0.125 108.925 108.800 -0.001 0.000 2.350 508 G HA2 0.049 4.009 3.960 -0.000 0.000 0.282 508 G HA3 0.049 4.009 3.960 -0.000 0.000 0.282 508 G C -1.848 173.040 174.900 -0.021 0.000 1.314 508 G CA -1.126 43.967 45.100 -0.012 0.000 0.915 508 G HN -0.068 nan 8.290 nan 0.000 0.499 509 N N 0.135 118.826 118.700 -0.014 0.000 2.335 509 N HA 0.428 5.168 4.740 -0.000 0.000 0.304 509 N C -0.619 174.879 175.510 -0.020 0.000 1.135 509 N CA -0.610 52.433 53.050 -0.011 0.000 0.817 509 N CB 2.298 40.797 38.487 0.020 0.000 1.294 509 N HN 0.771 nan 8.380 nan 0.000 0.497 510 Q N 0.912 120.696 119.800 -0.028 0.000 2.288 510 Q HA 0.221 4.561 4.340 -0.000 0.000 0.258 510 Q C 0.662 176.652 176.000 -0.017 0.000 0.957 510 Q CA -0.391 55.389 55.803 -0.038 0.000 0.919 510 Q CB 0.841 29.549 28.738 -0.051 0.000 1.185 510 Q HN 0.596 nan 8.270 nan 0.000 0.408 511 V N 0.363 120.266 119.914 -0.018 0.000 3.523 511 V HA 0.301 4.421 4.120 -0.000 0.000 0.255 511 V C 0.146 176.235 176.094 -0.008 0.000 1.226 511 V CA 0.725 63.022 62.300 -0.006 0.000 1.092 511 V CB 0.273 32.088 31.823 -0.014 0.000 0.817 511 V HN 0.668 nan 8.190 nan 0.000 0.458 512 S N -0.146 115.543 115.700 -0.019 0.000 2.567 512 S HA 0.503 4.973 4.470 -0.000 0.000 0.270 512 S C -1.209 173.370 174.600 -0.035 0.000 1.152 512 S CA -0.715 57.479 58.200 -0.010 0.000 0.835 512 S CB 1.405 64.599 63.200 -0.010 0.000 1.115 512 S HN 0.377 nan 8.310 nan 0.000 0.459 513 E N 2.373 122.538 120.200 -0.057 0.000 2.765 513 E HA 0.120 4.470 4.350 -0.000 0.000 0.256 513 E C 0.380 176.854 176.600 -0.211 0.000 0.935 513 E CA 0.768 57.010 56.400 -0.263 0.000 0.954 513 E CB -0.730 28.788 29.700 -0.305 0.000 0.908 513 E HN 0.746 nan 8.360 nan 0.000 0.500 514 H N -0.674 118.413 119.070 0.027 0.000 3.612 514 H HA -0.168 4.388 4.556 -0.000 0.000 0.212 514 H C -0.476 174.791 175.328 -0.101 0.000 1.041 514 H CA 1.479 57.483 56.048 -0.074 0.000 1.205 514 H CB -2.283 27.599 29.762 0.199 0.000 1.159 514 H HN 0.564 nan 8.280 nan 0.000 0.323 515 T N 1.121 115.689 114.554 0.023 0.000 2.797 515 T HA 0.571 4.921 4.350 -0.000 0.000 0.279 515 T C 0.466 175.140 174.700 -0.045 0.000 0.991 515 T CA -0.827 61.283 62.100 0.017 0.000 0.979 515 T CB 2.583 71.471 68.868 0.034 0.000 0.943 515 T HN 0.216 nan 8.240 nan 0.000 0.444 516 L N 2.434 123.622 121.223 -0.058 0.000 2.322 516 L HA 0.784 5.124 4.340 -0.000 0.000 0.281 516 L C 0.361 177.216 176.870 -0.026 0.000 1.014 516 L CA -0.204 54.596 54.840 -0.066 0.000 0.815 516 L CB 1.147 43.134 42.059 -0.120 0.000 1.247 516 L HN 0.773 nan 8.230 nan 0.000 0.421 517 G N 2.874 111.661 108.800 -0.021 0.000 2.396 517 G HA2 0.376 4.336 3.960 -0.000 0.000 0.292 517 G HA3 0.376 4.336 3.960 -0.000 0.000 0.292 517 G C 0.060 174.967 174.900 0.013 0.000 1.106 517 G CA 0.125 45.217 45.100 -0.013 0.000 1.055 517 G HN 0.814 nan 8.290 nan 0.000 0.424 518 T N 0.188 114.784 114.554 0.071 0.000 2.851 518 T HA 0.352 4.702 4.350 -0.000 0.000 0.298 518 T C 0.617 175.434 174.700 0.194 0.000 0.977 518 T CA -0.729 61.454 62.100 0.138 0.000 1.126 518 T CB 1.784 70.776 68.868 0.207 0.000 0.916 518 T HN 0.557 nan 8.240 nan 0.000 0.529 519 V N 5.550 125.515 119.914 0.085 0.000 2.963 519 V HA 0.451 4.571 4.120 -0.000 0.000 0.306 519 V C -0.183 175.857 176.094 -0.090 0.000 1.077 519 V CA 0.150 62.411 62.300 -0.066 0.000 1.124 519 V CB -0.092 31.683 31.823 -0.080 0.000 0.987 519 V HN 1.261 nan 8.190 nan 0.000 0.487 520 H N 2.248 121.101 119.070 -0.363 0.000 2.935 520 H HA 0.434 4.990 4.556 -0.000 0.000 0.297 520 H C -1.118 173.919 175.328 -0.485 0.000 1.423 520 H CA -0.262 55.414 56.048 -0.619 0.000 1.161 520 H CB 1.130 30.044 29.762 -1.413 0.000 1.841 520 H HN 0.746 nan 8.280 nan 0.000 0.506 521 T N -0.668 113.626 114.554 -0.432 0.000 2.885 521 T HA 0.460 4.810 4.350 -0.000 0.000 0.285 521 T C -0.681 173.768 174.700 -0.418 0.000 1.019 521 T CA -0.777 61.103 62.100 -0.368 0.000 1.010 521 T CB 2.139 70.876 68.868 -0.218 0.000 1.022 521 T HN 0.650 nan 8.240 nan 0.000 0.466 522 H N 1.085 119.973 119.070 -0.303 0.000 2.569 522 H HA 0.695 5.251 4.556 -0.000 0.000 0.357 522 H C -0.600 174.722 175.328 -0.011 0.000 1.153 522 H CA -0.790 55.173 56.048 -0.141 0.000 1.193 522 H CB 2.074 31.684 29.762 -0.253 0.000 1.602 522 H HN 0.888 nan 8.280 nan 0.000 0.523 523 S N 0.774 116.653 115.700 0.297 0.000 2.550 523 S HA 0.530 5.000 4.470 -0.000 0.000 0.274 523 S C -0.503 174.317 174.600 0.366 0.000 1.110 523 S CA -0.975 57.443 58.200 0.364 0.000 1.013 523 S CB 1.067 64.436 63.200 0.281 0.000 1.152 523 S HN 0.834 nan 8.310 nan 0.000 0.450 524 A N 2.190 125.105 122.820 0.159 0.000 2.252 524 A HA 0.810 5.130 4.320 -0.000 0.000 0.305 524 A C -0.295 177.144 177.584 -0.241 0.000 1.097 524 A CA -0.543 51.310 52.037 -0.307 0.000 0.849 524 A CB 0.757 19.339 19.000 -0.697 0.000 1.142 524 A HN 0.975 nan 8.150 nan 0.000 0.499 525 H N 0.033 118.539 119.070 -0.940 0.000 2.840 525 H HA 0.540 5.096 4.556 -0.000 0.000 0.340 525 H C -1.916 172.977 175.328 -0.725 0.000 1.004 525 H CA -0.451 55.147 56.048 -0.750 0.000 1.288 525 H CB 0.850 29.743 29.762 -1.450 0.000 1.607 525 H HN 0.487 nan 8.280 nan 0.000 0.522 526 F N 2.671 122.383 119.950 -0.397 0.000 2.492 526 F HA 0.324 4.851 4.527 -0.000 0.000 0.327 526 F C 0.205 175.783 175.800 -0.371 0.000 1.079 526 F CA -0.898 56.923 58.000 -0.299 0.000 0.967 526 F CB 1.626 40.626 39.000 0.001 0.000 1.169 526 F HN 0.319 nan 8.300 nan 0.000 0.472 527 K N 2.042 122.348 120.400 -0.157 0.000 2.240 527 K HA 0.654 4.974 4.320 -0.000 0.000 0.271 527 K C -1.669 174.715 176.600 -0.359 0.000 1.018 527 K CA -0.491 55.533 56.287 -0.439 0.000 0.874 527 K CB 1.023 33.321 32.500 -0.338 0.000 1.098 527 K HN 0.540 nan 8.250 nan 0.000 0.458 528 V N 2.726 122.364 119.914 -0.459 0.000 2.289 528 V HA 0.143 4.263 4.120 -0.000 0.000 0.272 528 V C -0.497 175.431 176.094 -0.277 0.000 1.026 528 V CA -0.960 61.173 62.300 -0.279 0.000 0.807 528 V CB 0.754 32.439 31.823 -0.230 0.000 1.044 528 V HN 0.786 nan 8.190 nan 0.000 0.443 529 D N 4.153 124.429 120.400 -0.208 0.000 2.713 529 D HA 0.264 4.904 4.640 -0.000 0.000 0.229 529 D C 0.221 176.510 176.300 -0.019 0.000 1.136 529 D CA -0.021 53.909 54.000 -0.117 0.000 1.010 529 D CB 0.015 40.802 40.800 -0.022 0.000 1.084 529 D HN 0.518 nan 8.370 nan 0.000 0.495 530 L N 1.271 122.476 121.223 -0.030 0.000 2.461 530 L HA 0.156 4.496 4.340 -0.000 0.000 0.272 530 L C 0.319 177.227 176.870 0.064 0.000 1.197 530 L CA 0.367 55.221 54.840 0.024 0.000 0.836 530 L CB 0.640 42.722 42.059 0.038 0.000 1.105 530 L HN 0.149 nan 8.230 nan 0.000 0.477 531 D N 1.952 122.415 120.400 0.104 0.000 2.613 531 D HA 0.167 4.807 4.640 -0.000 0.000 0.312 531 D C -0.618 175.794 176.300 0.186 0.000 1.202 531 D CA -0.228 53.849 54.000 0.129 0.000 0.825 531 D CB 0.999 41.882 40.800 0.138 0.000 1.113 531 D HN 0.011 nan 8.370 nan 0.000 0.502 532 V N 1.184 121.234 119.914 0.227 0.000 2.475 532 V HA 0.159 4.279 4.120 -0.000 0.000 0.292 532 V C 1.397 177.696 176.094 0.343 0.000 1.003 532 V CA -0.095 62.420 62.300 0.359 0.000 1.120 532 V CB -0.076 32.018 31.823 0.452 0.000 0.937 532 V HN 0.678 nan 8.190 nan 0.000 0.476 533 A N 3.669 126.708 122.820 0.364 0.000 2.596 533 A HA 0.126 4.446 4.320 -0.000 0.000 0.300 533 A C 1.279 178.991 177.584 0.213 0.000 1.495 533 A CA 1.353 53.515 52.037 0.209 0.000 0.769 533 A CB -1.452 17.600 19.000 0.087 0.000 1.047 533 A HN 2.863 nan 8.150 nan 0.000 0.436 534 G N -2.548 106.371 108.800 0.197 0.000 2.362 534 G HA2 0.139 4.099 3.960 -0.000 0.000 0.517 534 G HA3 0.139 4.099 3.960 -0.000 0.000 0.517 534 G C 0.328 175.308 174.900 0.132 0.000 1.256 534 G CA -0.212 44.987 45.100 0.164 0.000 1.027 534 G HN 0.968 nan 8.290 nan 0.000 0.491 535 L N 0.120 121.398 121.223 0.092 0.000 2.168 535 L HA 0.230 4.570 4.340 -0.000 0.000 0.203 535 L C 1.220 178.087 176.870 -0.005 0.000 1.078 535 L CA 0.886 55.747 54.840 0.036 0.000 0.780 535 L CB -0.192 41.871 42.059 0.006 0.000 0.939 535 L HN 0.577 nan 8.230 nan 0.000 0.451 536 E N 1.282 121.474 120.200 -0.012 0.000 2.070 536 E HA 0.137 4.487 4.350 -0.000 0.000 0.282 536 E C -0.961 175.563 176.600 -0.127 0.000 1.104 536 E CA 0.051 56.361 56.400 -0.151 0.000 0.876 536 E CB 0.385 29.979 29.700 -0.176 0.000 1.055 536 E HN 0.260 nan 8.360 nan 0.000 0.401 537 N N 1.811 120.391 118.700 -0.200 0.000 2.381 537 N HA 0.481 5.221 4.740 -0.000 0.000 0.294 537 N C -1.095 174.321 175.510 -0.156 0.000 1.216 537 N CA -0.848 52.228 53.050 0.043 0.000 0.803 537 N CB 1.498 40.067 38.487 0.136 0.000 1.372 537 N HN 0.301 nan 8.380 nan 0.000 0.500 538 W N 0.272 121.580 121.300 0.013 0.000 2.781 538 W HA 0.556 5.216 4.660 -0.000 0.000 0.345 538 W C -1.034 175.350 176.519 -0.224 0.000 1.085 538 W CA -0.703 56.542 57.345 -0.167 0.000 1.198 538 W CB 1.631 30.901 29.460 -0.316 0.000 1.423 538 W HN 0.056 nan 8.180 nan 0.000 0.532 539 V N 1.827 121.667 119.914 -0.123 0.000 2.370 539 V HA 0.275 4.395 4.120 -0.000 0.000 0.279 539 V C -0.886 174.990 176.094 -0.364 0.000 1.029 539 V CA -0.366 61.843 62.300 -0.152 0.000 0.870 539 V CB 0.548 32.337 31.823 -0.056 0.000 0.984 539 V HN 0.407 nan 8.190 nan 0.000 0.451 540 W N 2.642 123.744 121.300 -0.330 0.000 2.627 540 W HA 0.765 5.425 4.660 -0.000 0.000 0.339 540 W C -0.094 176.165 176.519 -0.432 0.000 1.058 540 W CA -0.722 56.357 57.345 -0.443 0.000 1.223 540 W CB 2.026 31.014 29.460 -0.787 0.000 1.389 540 W HN 0.580 nan 8.180 nan 0.000 0.541 541 A N 2.574 125.467 122.820 0.122 0.000 2.466 541 A HA 0.565 4.885 4.320 -0.000 0.000 0.291 541 A C -0.740 176.953 177.584 0.182 0.000 1.234 541 A CA -0.661 51.449 52.037 0.121 0.000 0.752 541 A CB 0.464 19.553 19.000 0.147 0.000 1.153 541 A HN 0.668 nan 8.150 nan 0.000 0.458 542 E N 1.298 121.625 120.200 0.212 0.000 2.227 542 E HA 0.582 4.932 4.350 -0.000 0.000 0.268 542 E C -0.875 175.828 176.600 0.171 0.000 0.990 542 E CA -0.742 55.769 56.400 0.185 0.000 0.856 542 E CB 1.872 31.668 29.700 0.160 0.000 1.159 542 E HN 0.694 nan 8.360 nan 0.000 0.401 543 D N -0.246 120.222 120.400 0.114 0.000 3.650 543 D HA 0.277 4.917 4.640 -0.000 0.000 0.341 543 D C -1.285 175.036 176.300 0.035 0.000 1.479 543 D CA -0.328 53.733 54.000 0.101 0.000 0.963 543 D CB 1.209 42.060 40.800 0.086 0.000 1.449 543 D HN 0.461 nan 8.370 nan 0.000 0.601 544 M N -0.056 119.545 119.600 0.001 0.000 2.745 544 M HA 0.806 5.286 4.480 -0.000 0.000 0.290 544 M C -1.376 174.864 176.300 -0.100 0.000 1.262 544 M CA -0.808 54.443 55.300 -0.083 0.000 0.795 544 M CB 2.809 35.327 32.600 -0.137 0.000 1.758 544 M HN 0.158 nan 8.290 nan 0.000 0.461 545 V N 0.495 120.281 119.914 -0.214 0.000 2.946 545 V HA 0.433 4.553 4.120 -0.000 0.000 0.258 545 V C -2.395 173.551 176.094 -0.248 0.000 1.726 545 V CA -0.619 61.591 62.300 -0.151 0.000 0.940 545 V CB 2.290 34.092 31.823 -0.035 0.000 1.309 545 V HN 0.862 nan 8.190 nan 0.000 0.458 546 F N 5.057 125.022 119.950 0.025 0.000 2.404 546 F HA 0.672 5.199 4.527 -0.000 0.000 0.354 546 F C 0.235 176.043 175.800 0.014 0.000 1.122 546 F CA -0.735 57.276 58.000 0.018 0.000 1.080 546 F CB 2.010 41.019 39.000 0.016 0.000 1.131 546 F HN 0.331 nan 8.300 nan 0.000 0.471 547 V N 5.804 125.831 119.914 0.190 0.000 2.328 547 V HA 0.295 4.415 4.120 -0.000 0.000 0.278 547 V C -2.293 173.857 176.094 0.093 0.000 1.021 547 V CA -2.156 60.209 62.300 0.109 0.000 0.838 547 V CB 1.109 32.971 31.823 0.064 0.000 0.999 547 V HN 0.487 nan 8.190 nan 0.000 0.447 548 P HA 0.395 nan 4.420 nan 0.000 0.271 548 P C -0.505 176.804 177.300 0.015 0.000 1.226 548 P CA 0.019 63.138 63.100 0.033 0.000 0.765 548 P CB 0.467 32.178 31.700 0.018 0.000 0.835 549 M N 1.104 120.703 119.600 -0.001 0.000 2.603 549 M HA 0.779 5.259 4.480 -0.000 0.000 0.275 549 M C -1.222 175.049 176.300 -0.048 0.000 1.226 549 M CA -1.325 53.964 55.300 -0.018 0.000 0.870 549 M CB 1.861 34.456 32.600 -0.010 0.000 1.716 549 M HN 0.118 nan 8.290 nan 0.000 0.482 550 A N 1.295 124.079 122.820 -0.060 0.000 2.386 550 A HA 0.575 4.895 4.320 -0.000 0.000 0.248 550 A C -0.001 177.484 177.584 -0.166 0.000 1.082 550 A CA -0.601 51.380 52.037 -0.093 0.000 0.789 550 A CB 0.256 19.213 19.000 -0.073 0.000 1.025 550 A HN 0.721 nan 8.150 nan 0.000 0.490 551 V N 4.487 124.248 119.914 -0.255 0.000 2.425 551 V HA 0.045 4.165 4.120 -0.000 0.000 0.276 551 V C -1.351 174.449 176.094 -0.490 0.000 1.017 551 V CA -0.364 61.614 62.300 -0.538 0.000 1.062 551 V CB 0.593 31.980 31.823 -0.726 0.000 0.997 551 V HN 0.826 nan 8.190 nan 0.000 0.476 552 P HA -0.166 nan 4.420 nan 0.000 0.218 552 P C 0.784 178.103 177.300 0.031 0.000 1.152 552 P CA 1.725 64.772 63.100 -0.088 0.000 0.857 552 P CB 0.036 31.793 31.700 0.094 0.000 0.787 553 W N -2.239 119.071 121.300 0.015 0.000 2.937 553 W HA 0.689 5.349 4.660 -0.000 0.000 0.435 553 W C -0.214 176.316 176.519 0.017 0.000 0.912 553 W CA -0.545 56.807 57.345 0.011 0.000 2.209 553 W CB -0.340 29.120 29.460 0.001 0.000 1.144 553 W HN -0.211 nan 8.180 nan 0.000 0.762 554 S N 0.193 115.829 115.700 -0.106 0.000 3.108 554 S HA 0.096 4.566 4.470 -0.000 0.000 0.130 554 S C -2.225 172.346 174.600 -0.047 0.000 0.834 554 S CA -0.483 57.694 58.200 -0.038 0.000 0.840 554 S CB -0.413 62.744 63.200 -0.071 0.000 1.527 554 S HN -0.102 nan 8.310 nan 0.000 0.610 555 P HA -0.093 nan 4.420 nan 0.000 0.231 555 P C 0.994 178.277 177.300 -0.028 0.000 1.154 555 P CA 1.048 64.124 63.100 -0.039 0.000 0.762 555 P CB -0.098 31.590 31.700 -0.021 0.000 0.790 556 E N -2.414 117.790 120.200 0.007 0.000 2.230 556 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 556 E C 0.348 176.842 176.600 -0.177 0.000 0.987 556 E CA 0.636 57.006 56.400 -0.050 0.000 0.841 556 E CB -0.453 29.248 29.700 0.002 0.000 0.783 556 E HN 0.353 nan 8.360 nan 0.000 0.481 557 H N -0.307 118.712 119.070 -0.086 0.000 2.559 557 H HA 0.427 4.983 4.556 -0.000 0.000 0.343 557 H C -0.883 174.376 175.328 -0.114 0.000 1.209 557 H CA -0.788 55.204 56.048 -0.093 0.000 1.287 557 H CB 1.327 31.029 29.762 -0.100 0.000 1.650 557 H HN -0.054 nan 8.280 nan 0.000 0.567 558 Q N 1.139 120.954 119.800 0.026 0.000 2.306 558 Q HA 0.545 4.885 4.340 -0.000 0.000 0.265 558 Q C -1.861 174.118 176.000 -0.035 0.000 1.022 558 Q CA -1.057 54.730 55.803 -0.027 0.000 0.853 558 Q CB 1.232 29.950 28.738 -0.034 0.000 1.327 558 Q HN 0.519 nan 8.270 nan 0.000 0.449 559 L N 0.172 121.363 121.223 -0.054 0.000 2.409 559 L HA 0.630 4.970 4.340 -0.000 0.000 0.262 559 L C -1.259 175.604 176.870 -0.011 0.000 0.992 559 L CA -0.695 54.119 54.840 -0.045 0.000 0.817 559 L CB 2.181 44.193 42.059 -0.078 0.000 1.350 559 L HN 0.459 nan 8.230 nan 0.000 0.411 560 Q N 2.150 121.953 119.800 0.005 0.000 2.509 560 Q HA 0.343 4.683 4.340 -0.000 0.000 0.230 560 Q C -0.650 175.487 176.000 0.228 0.000 1.089 560 Q CA -0.401 55.441 55.803 0.065 0.000 0.901 560 Q CB 1.141 29.803 28.738 -0.127 0.000 1.208 560 Q HN 0.613 nan 8.270 nan 0.000 0.529 561 R N 2.070 122.676 120.500 0.176 0.000 2.404 561 R HA 0.101 4.441 4.340 -0.000 0.000 0.315 561 R C -0.732 175.675 176.300 0.179 0.000 1.032 561 R CA -0.278 55.914 56.100 0.154 0.000 0.992 561 R CB -0.134 30.212 30.300 0.076 0.000 0.959 561 R HN 0.358 nan 8.270 nan 0.000 0.428 562 L N 4.638 125.939 121.223 0.130 0.000 2.313 562 L HA 0.261 4.601 4.340 -0.000 0.000 0.282 562 L C -0.583 176.225 176.870 -0.103 0.000 1.092 562 L CA 0.766 55.534 54.840 -0.120 0.000 0.831 562 L CB 0.803 42.785 42.059 -0.128 0.000 1.159 562 L HN 0.730 nan 8.230 nan 0.000 0.442 563 Q N 3.203 122.915 119.800 -0.147 0.000 2.458 563 Q HA 0.620 4.960 4.340 -0.000 0.000 0.282 563 Q C -1.318 174.625 176.000 -0.096 0.000 1.106 563 Q CA -1.176 54.578 55.803 -0.082 0.000 0.814 563 Q CB 2.522 31.237 28.738 -0.038 0.000 1.425 563 Q HN 0.416 nan 8.270 nan 0.000 0.437 564 V N 1.119 121.000 119.914 -0.055 0.000 2.539 564 V HA 0.437 4.557 4.120 -0.000 0.000 0.292 564 V C -0.077 176.013 176.094 -0.007 0.000 1.045 564 V CA -0.456 61.820 62.300 -0.040 0.000 0.945 564 V CB 1.602 33.404 31.823 -0.036 0.000 0.993 564 V HN 0.937 nan 8.190 nan 0.000 0.464 565 T N 2.546 117.108 114.554 0.014 0.000 2.786 565 T HA 0.644 4.994 4.350 -0.000 0.000 0.283 565 T C -0.575 174.172 174.700 0.078 0.000 0.992 565 T CA -0.796 61.330 62.100 0.044 0.000 0.954 565 T CB 1.245 70.140 68.868 0.046 0.000 0.934 565 T HN 0.699 nan 8.240 nan 0.000 0.440 566 R N 2.156 122.714 120.500 0.097 0.000 2.562 566 R HA 0.673 5.013 4.340 -0.000 0.000 0.298 566 R C -1.168 175.254 176.300 0.203 0.000 0.961 566 R CA -0.859 55.333 56.100 0.153 0.000 0.881 566 R CB 1.362 31.732 30.300 0.118 0.000 1.159 566 R HN 0.791 nan 8.270 nan 0.000 0.450 567 K N 4.237 124.796 120.400 0.265 0.000 2.501 567 K HA 0.274 4.594 4.320 -0.000 0.000 0.252 567 K C -1.744 174.996 176.600 0.232 0.000 0.934 567 K CA -0.834 55.591 56.287 0.230 0.000 0.797 567 K CB 1.532 34.121 32.500 0.148 0.000 1.270 567 K HN 0.415 nan 8.250 nan 0.000 0.431 568 L N 5.287 126.572 121.223 0.104 0.000 2.305 568 L HA 0.412 4.752 4.340 -0.000 0.000 0.281 568 L C -1.302 175.489 176.870 -0.133 0.000 1.085 568 L CA -0.073 54.629 54.840 -0.230 0.000 0.813 568 L CB 0.783 42.612 42.059 -0.384 0.000 1.157 568 L HN 0.590 nan 8.230 nan 0.000 0.436 569 L N 6.008 127.129 121.223 -0.169 0.000 2.262 569 L HA 0.386 4.726 4.340 -0.000 0.000 0.288 569 L C 0.600 177.416 176.870 -0.090 0.000 1.035 569 L CA -0.157 54.639 54.840 -0.073 0.000 0.820 569 L CB 0.985 43.037 42.059 -0.012 0.000 1.204 569 L HN 0.750 nan 8.230 nan 0.000 0.424 570 E N 2.241 122.404 120.200 -0.062 0.000 2.372 570 E HA 0.185 4.535 4.350 -0.000 0.000 0.201 570 E C -0.077 176.492 176.600 -0.051 0.000 0.938 570 E CA 0.206 56.573 56.400 -0.055 0.000 0.944 570 E CB 0.580 30.261 29.700 -0.033 0.000 0.937 570 E HN 0.464 nan 8.360 nan 0.000 0.495 571 M N 0.961 120.535 119.600 -0.044 0.000 2.268 571 M HA 0.214 4.694 4.480 -0.000 0.000 0.344 571 M C 0.729 177.003 176.300 -0.043 0.000 1.106 571 M CA -0.128 55.146 55.300 -0.043 0.000 1.010 571 M CB 1.232 33.809 32.600 -0.038 0.000 1.649 571 M HN -0.040 nan 8.290 nan 0.000 0.443 572 E N 1.093 121.270 120.200 -0.038 0.000 2.169 572 E HA -0.272 4.078 4.350 -0.000 0.000 0.202 572 E C 0.926 177.498 176.600 -0.047 0.000 1.016 572 E CA 1.883 58.266 56.400 -0.028 0.000 0.817 572 E CB 0.268 29.953 29.700 -0.025 0.000 0.736 572 E HN 0.628 nan 8.360 nan 0.000 0.462 573 E N 0.663 120.828 120.200 -0.059 0.000 2.017 573 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 573 E C 1.897 178.413 176.600 -0.139 0.000 0.997 573 E CA 1.591 57.945 56.400 -0.077 0.000 0.804 573 E CB -0.248 29.417 29.700 -0.059 0.000 0.757 573 E HN 0.415 nan 8.360 nan 0.000 0.448 574 Q N -0.421 119.300 119.800 -0.131 0.000 2.557 574 Q HA 0.102 4.442 4.340 -0.000 0.000 0.217 574 Q C 0.870 176.714 176.000 -0.260 0.000 0.978 574 Q CA 1.025 56.715 55.803 -0.189 0.000 0.950 574 Q CB 0.203 28.886 28.738 -0.093 0.000 0.991 574 Q HN 0.172 nan 8.270 nan 0.000 0.533 575 A N 0.109 122.820 122.820 -0.182 0.000 2.571 575 A HA 0.643 4.963 4.320 -0.000 0.000 0.274 575 A C 0.366 177.980 177.584 0.050 0.000 1.196 575 A CA -0.006 52.037 52.037 0.011 0.000 0.957 575 A CB 0.658 19.714 19.000 0.093 0.000 1.150 575 A HN 0.340 nan 8.150 nan 0.000 0.539 576 A N 0.236 122.945 122.820 -0.185 0.000 2.287 576 A HA 0.736 5.056 4.320 -0.000 0.000 0.317 576 A C -1.183 176.363 177.584 -0.064 0.000 1.220 576 A CA -0.305 51.749 52.037 0.029 0.000 0.835 576 A CB 0.093 19.094 19.000 0.002 0.000 1.180 576 A HN 0.245 nan 8.150 nan 0.000 0.500 577 F N 2.903 123.021 119.950 0.280 0.000 2.375 577 F HA 0.426 4.953 4.527 -0.000 0.000 0.361 577 F C 0.312 176.274 175.800 0.269 0.000 1.117 577 F CA -0.620 57.518 58.000 0.230 0.000 1.037 577 F CB 1.238 40.331 39.000 0.156 0.000 1.192 577 F HN 0.417 nan 8.300 nan 0.000 0.452 578 L N 2.804 124.175 121.223 0.247 0.000 2.482 578 L HA 0.158 4.498 4.340 -0.000 0.000 0.273 578 L C 0.179 177.106 176.870 0.094 0.000 1.228 578 L CA -0.470 54.382 54.840 0.020 0.000 0.827 578 L CB 0.340 42.336 42.059 -0.105 0.000 1.099 578 L HN 0.262 nan 8.230 nan 0.000 0.494 579 V N 2.040 121.967 119.914 0.023 0.000 2.655 579 V HA 0.269 4.389 4.120 -0.000 0.000 0.300 579 V C 1.068 177.192 176.094 0.049 0.000 1.044 579 V CA 1.429 63.767 62.300 0.063 0.000 1.095 579 V CB 0.362 32.205 31.823 0.034 0.000 0.952 579 V HN 1.102 nan 8.190 nan 0.000 0.485 580 G N 4.007 112.852 108.800 0.075 0.000 3.400 580 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.209 580 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.209 580 G C 0.508 175.454 174.900 0.077 0.000 1.411 580 G CA 0.149 45.287 45.100 0.063 0.000 0.917 580 G HN 1.365 nan 8.290 nan 0.000 0.570 581 S N 1.702 117.455 115.700 0.088 0.000 2.563 581 S HA 0.587 5.057 4.470 -0.000 0.000 0.284 581 S C 0.782 175.469 174.600 0.144 0.000 1.331 581 S CA 0.729 58.996 58.200 0.110 0.000 1.047 581 S CB 1.336 64.608 63.200 0.120 0.000 0.859 581 S HN 2.097 nan 8.310 nan 0.000 0.514 582 A N 2.483 125.383 122.820 0.132 0.000 2.425 582 A HA 0.555 4.875 4.320 -0.000 0.000 0.242 582 A C 0.873 178.558 177.584 0.168 0.000 1.077 582 A CA 0.007 52.116 52.037 0.120 0.000 0.781 582 A CB -0.344 18.715 19.000 0.097 0.000 1.020 582 A HN 1.325 nan 8.150 nan 0.000 0.494 583 T N -0.300 114.286 114.554 0.055 0.000 2.916 583 T HA 0.751 5.101 4.350 -0.000 0.000 0.292 583 T C -2.927 171.717 174.700 -0.094 0.000 1.055 583 T CA -1.672 60.359 62.100 -0.116 0.000 1.009 583 T CB 1.387 70.053 68.868 -0.337 0.000 1.118 583 T HN 0.567 nan 8.240 nan 0.000 0.497 584 P HA 0.236 nan 4.420 nan 0.000 0.268 584 P C 0.596 177.867 177.300 -0.048 0.000 1.204 584 P CA -0.434 62.650 63.100 -0.027 0.000 0.768 584 P CB 1.058 32.766 31.700 0.014 0.000 0.842 585 R N 1.436 121.941 120.500 0.007 0.000 2.127 585 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 585 R C 0.144 176.348 176.300 -0.159 0.000 1.134 585 R CA 1.474 57.550 56.100 -0.040 0.000 0.975 585 R CB -0.245 30.085 30.300 0.051 0.000 0.865 585 R HN 0.542 nan 8.270 nan 0.000 0.447 586 Y N 0.137 120.416 120.300 -0.035 0.000 2.376 586 Y HA 0.302 4.852 4.550 -0.000 0.000 0.326 586 Y C -0.797 175.122 175.900 0.032 0.000 0.970 586 Y CA -0.896 57.176 58.100 -0.046 0.000 1.248 586 Y CB 1.481 39.873 38.460 -0.114 0.000 1.117 586 Y HN -0.109 nan 8.280 nan 0.000 0.476 587 L N 6.830 128.118 121.223 0.108 0.000 2.385 587 L HA 0.697 5.037 4.340 -0.000 0.000 0.273 587 L C -1.586 175.414 176.870 0.216 0.000 0.990 587 L CA -1.066 53.822 54.840 0.079 0.000 0.821 587 L CB 0.941 42.954 42.059 -0.076 0.000 1.279 587 L HN 0.487 nan 8.230 nan 0.000 0.412 588 Y N 2.874 123.255 120.300 0.134 0.000 2.641 588 Y HA 0.678 5.228 4.550 -0.000 0.000 0.333 588 Y C -2.015 174.054 175.900 0.281 0.000 1.174 588 Y CA -1.611 56.601 58.100 0.187 0.000 1.057 588 Y CB 0.898 39.466 38.460 0.180 0.000 1.322 588 Y HN 0.429 nan 8.280 nan 0.000 0.457 589 L N 2.826 124.317 121.223 0.447 0.000 2.322 589 L HA 0.962 5.302 4.340 -0.000 0.000 0.279 589 L C -0.008 177.238 176.870 0.626 0.000 1.036 589 L CA -0.939 54.133 54.840 0.386 0.000 0.807 589 L CB 1.475 43.693 42.059 0.265 0.000 1.226 589 L HN 0.972 nan 8.230 nan 0.000 0.433 590 A N 1.965 125.179 122.820 0.656 0.000 2.532 590 A HA 0.706 5.026 4.320 -0.000 0.000 0.290 590 A C -0.613 177.337 177.584 0.610 0.000 1.143 590 A CA -0.430 52.032 52.037 0.709 0.000 0.728 590 A CB 1.985 21.538 19.000 0.922 0.000 1.317 590 A HN 0.574 nan 8.150 nan 0.000 0.414 591 S N -1.063 114.925 115.700 0.480 0.000 2.686 591 S HA 0.217 4.687 4.470 -0.000 0.000 0.270 591 S C 1.134 175.903 174.600 0.282 0.000 1.194 591 S CA 0.073 58.513 58.200 0.399 0.000 0.990 591 S CB 0.745 64.102 63.200 0.262 0.000 1.029 591 S HN 0.791 nan 8.310 nan 0.000 0.560 592 N N 0.342 119.100 118.700 0.096 0.000 2.290 592 N HA -0.006 4.734 4.740 -0.000 0.000 0.179 592 N C -0.006 175.317 175.510 -0.313 0.000 1.016 592 N CA 0.929 53.790 53.050 -0.315 0.000 0.871 592 N CB -0.321 38.038 38.487 -0.214 0.000 0.987 592 N HN 0.601 nan 8.380 nan 0.000 0.431 593 H N -0.181 118.922 119.070 0.056 0.000 2.562 593 H HA 0.259 4.815 4.556 -0.000 0.000 0.352 593 H C -0.040 175.269 175.328 -0.030 0.000 1.125 593 H CA -0.108 55.939 56.048 -0.002 0.000 1.379 593 H CB 0.796 30.553 29.762 -0.007 0.000 1.464 593 H HN -0.011 nan 8.280 nan 0.000 0.563 594 S N 2.155 117.892 115.700 0.062 0.000 2.585 594 S HA 0.098 4.568 4.470 -0.000 0.000 0.277 594 S C 0.678 175.241 174.600 -0.062 0.000 1.241 594 S CA -1.008 57.184 58.200 -0.015 0.000 1.041 594 S CB 0.691 63.858 63.200 -0.056 0.000 0.987 594 S HN 0.713 nan 8.310 nan 0.000 0.512 595 N N 1.820 120.478 118.700 -0.071 0.000 2.509 595 N HA 0.153 4.893 4.740 -0.000 0.000 0.287 595 N C 0.799 176.176 175.510 -0.223 0.000 1.121 595 N CA -0.542 52.424 53.050 -0.141 0.000 0.977 595 N CB 0.704 39.137 38.487 -0.091 0.000 1.167 595 N HN 0.667 nan 8.380 nan 0.000 0.476 596 K N 1.557 121.719 120.400 -0.396 0.000 2.317 596 K HA -0.218 4.102 4.320 -0.000 0.000 0.211 596 K C 0.281 176.438 176.600 -0.739 0.000 1.018 596 K CA 2.303 58.179 56.287 -0.685 0.000 0.925 596 K CB -0.231 31.632 32.500 -1.061 0.000 0.877 596 K HN 0.769 nan 8.250 nan 0.000 0.490 597 W N 0.409 121.709 121.300 -0.000 0.000 3.438 597 W HA 0.269 4.929 4.660 -0.000 0.000 0.322 597 W C 0.865 177.387 176.519 0.005 0.000 1.261 597 W CA -0.062 57.297 57.345 0.023 0.000 1.788 597 W CB 0.126 29.622 29.460 0.059 0.000 1.065 597 W HN 0.350 nan 8.180 nan 0.000 0.715 598 G N 1.765 110.564 108.800 -0.002 0.000 2.324 598 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.292 598 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.292 598 G C -0.373 174.364 174.900 -0.273 0.000 1.079 598 G CA -0.330 44.699 45.100 -0.117 0.000 1.026 598 G HN 0.484 nan 8.290 nan 0.000 0.506 599 H N -0.300 118.740 119.070 -0.050 0.000 2.717 599 H HA 0.361 4.917 4.556 -0.000 0.000 0.366 599 H C -2.455 172.829 175.328 -0.073 0.000 1.132 599 H CA -1.533 54.466 56.048 -0.080 0.000 1.180 599 H CB 2.751 32.455 29.762 -0.097 0.000 1.678 599 H HN 0.147 nan 8.280 nan 0.000 0.537 600 P HA 0.045 nan 4.420 nan 0.000 0.267 600 P C -0.404 176.975 177.300 0.132 0.000 1.209 600 P CA -0.069 63.073 63.100 0.070 0.000 0.763 600 P CB 0.768 32.511 31.700 0.071 0.000 0.816 601 R N 2.483 123.053 120.500 0.116 0.000 2.357 601 R HA 0.427 4.767 4.340 -0.000 0.000 0.330 601 R C 1.056 177.559 176.300 0.338 0.000 1.102 601 R CA -0.020 56.146 56.100 0.110 0.000 0.974 601 R CB 0.010 30.228 30.300 -0.137 0.000 1.002 601 R HN 0.561 nan 8.270 nan 0.000 0.463 602 G N 1.407 110.439 108.800 0.387 0.000 2.685 602 G HA2 0.460 4.420 3.960 -0.000 0.000 0.298 602 G HA3 0.460 4.420 3.960 -0.000 0.000 0.298 602 G C -1.709 173.488 174.900 0.496 0.000 1.277 602 G CA -0.458 44.972 45.100 0.550 0.000 0.986 602 G HN 0.397 nan 8.290 nan 0.000 0.487 603 Y N 0.031 120.579 120.300 0.414 0.000 2.338 603 Y HA 0.470 5.020 4.550 -0.000 0.000 0.333 603 Y C 0.605 176.690 175.900 0.308 0.000 0.968 603 Y CA -0.776 57.499 58.100 0.292 0.000 1.123 603 Y CB 1.819 40.407 38.460 0.213 0.000 1.165 603 Y HN 0.521 nan 8.280 nan 0.000 0.452 604 R N 4.657 125.307 120.500 0.250 0.000 2.490 604 R HA 0.496 4.836 4.340 -0.000 0.000 0.280 604 R C -1.168 175.255 176.300 0.204 0.000 1.077 604 R CA -0.191 56.044 56.100 0.225 0.000 1.065 604 R CB 0.471 30.806 30.300 0.059 0.000 1.003 604 R HN 0.757 nan 8.270 nan 0.000 0.470 605 I N 4.382 125.040 120.570 0.146 0.000 2.371 605 I HA 0.156 4.326 4.170 -0.000 0.000 0.282 605 I C -0.186 175.956 176.117 0.042 0.000 1.031 605 I CA -0.321 61.036 61.300 0.095 0.000 1.180 605 I CB 1.577 39.584 38.000 0.011 0.000 1.336 605 I HN 0.542 nan 8.210 nan 0.000 0.467 606 Q N 7.161 127.025 119.800 0.107 0.000 2.271 606 Q HA 0.627 4.967 4.340 -0.000 0.000 0.258 606 Q C -1.120 174.972 176.000 0.154 0.000 0.936 606 Q CA -0.634 55.212 55.803 0.072 0.000 0.909 606 Q CB 1.736 30.506 28.738 0.053 0.000 1.253 606 Q HN 0.594 nan 8.270 nan 0.000 0.440 607 M N 3.361 123.007 119.600 0.076 0.000 2.705 607 M HA 0.438 4.918 4.480 -0.000 0.000 0.311 607 M C -0.772 175.553 176.300 0.042 0.000 1.214 607 M CA -0.717 54.633 55.300 0.084 0.000 0.920 607 M CB 1.668 34.288 32.600 0.033 0.000 1.687 607 M HN 0.547 nan 8.290 nan 0.000 0.481 608 L N 0.748 121.954 121.223 -0.028 0.000 2.625 608 L HA 0.409 4.749 4.340 -0.000 0.000 0.255 608 L C -0.425 176.171 176.870 -0.457 0.000 1.493 608 L CA -0.251 54.490 54.840 -0.165 0.000 0.796 608 L CB 0.756 42.722 42.059 -0.155 0.000 1.064 608 L HN 0.600 nan 8.230 nan 0.000 0.516 609 S N 0.184 115.670 115.700 -0.356 0.000 2.568 609 S HA 0.759 5.229 4.470 -0.000 0.000 0.302 609 S C -0.152 174.249 174.600 -0.332 0.000 1.082 609 S CA -0.320 57.634 58.200 -0.411 0.000 1.009 609 S CB 1.050 64.223 63.200 -0.045 0.000 1.069 609 S HN 0.386 nan 8.310 nan 0.000 0.500 610 F N 1.529 121.564 119.950 0.141 0.000 2.837 610 F HA 0.422 4.949 4.527 -0.000 0.000 0.328 610 F C 0.985 176.879 175.800 0.156 0.000 1.173 610 F CA -0.860 57.212 58.000 0.120 0.000 1.160 610 F CB -0.008 39.053 39.000 0.103 0.000 1.115 610 F HN 0.651 nan 8.300 nan 0.000 0.512 611 A N 1.655 124.614 122.820 0.231 0.000 2.608 611 A HA 0.299 4.619 4.320 -0.000 0.000 0.239 611 A C 1.157 178.819 177.584 0.130 0.000 1.018 611 A CA 0.894 53.037 52.037 0.176 0.000 0.766 611 A CB -0.419 18.670 19.000 0.148 0.000 0.928 611 A HN 0.515 nan 8.150 nan 0.000 0.512 612 G N 1.547 110.393 108.800 0.077 0.000 2.529 612 G HA2 0.417 4.377 3.960 -0.000 0.000 0.277 612 G HA3 0.417 4.377 3.960 -0.000 0.000 0.277 612 G C -0.132 174.773 174.900 0.008 0.000 1.383 612 G CA -0.503 44.615 45.100 0.030 0.000 1.050 612 G HN 0.849 nan 8.290 nan 0.000 0.526 613 E N 1.329 121.519 120.200 -0.015 0.000 2.229 613 E HA 0.239 4.589 4.350 -0.000 0.000 0.283 613 E C -1.906 174.665 176.600 -0.049 0.000 1.030 613 E CA -1.401 54.984 56.400 -0.026 0.000 0.836 613 E CB 1.284 30.968 29.700 -0.025 0.000 1.068 613 E HN 0.280 nan 8.360 nan 0.000 0.401 614 P HA -0.062 nan 4.420 nan 0.000 0.268 614 P C -0.055 177.215 177.300 -0.051 0.000 1.208 614 P CA -0.083 62.969 63.100 -0.079 0.000 0.777 614 P CB 0.768 32.402 31.700 -0.110 0.000 0.875 615 L N 3.218 124.434 121.223 -0.011 0.000 2.593 615 L HA -0.019 4.321 4.340 -0.000 0.000 0.287 615 L C -1.581 175.273 176.870 -0.025 0.000 1.243 615 L CA -0.994 53.854 54.840 0.013 0.000 0.890 615 L CB -0.567 41.553 42.059 0.103 0.000 1.134 615 L HN 0.323 nan 8.230 nan 0.000 0.502 616 P HA -0.066 nan 4.420 nan 0.000 0.269 616 P C 0.059 177.327 177.300 -0.052 0.000 1.211 616 P CA 0.027 63.104 63.100 -0.038 0.000 0.781 616 P CB 0.435 32.121 31.700 -0.023 0.000 0.877 617 Q N 0.618 120.382 119.800 -0.060 0.000 2.230 617 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 617 Q C 1.196 177.165 176.000 -0.052 0.000 0.963 617 Q CA 1.121 56.882 55.803 -0.070 0.000 0.866 617 Q CB -0.332 28.365 28.738 -0.069 0.000 0.931 617 Q HN 0.460 nan 8.270 nan 0.000 0.452 618 N N 0.324 119.003 118.700 -0.034 0.000 2.519 618 N HA -0.081 4.659 4.740 -0.000 0.000 0.186 618 N C 0.218 175.723 175.510 -0.009 0.000 1.062 618 N CA 0.335 53.374 53.050 -0.019 0.000 0.910 618 N CB 0.113 38.593 38.487 -0.011 0.000 0.958 618 N HN -0.057 nan 8.380 nan 0.000 0.445 619 S N -0.447 115.243 115.700 -0.017 0.000 2.505 619 S HA 0.127 4.597 4.470 -0.000 0.000 0.276 619 S C 1.311 175.902 174.600 -0.016 0.000 1.274 619 S CA -0.567 57.632 58.200 -0.002 0.000 1.053 619 S CB 0.505 63.699 63.200 -0.009 0.000 0.919 619 S HN 0.376 nan 8.310 nan 0.000 0.490 620 S N 5.046 120.781 115.700 0.059 0.000 2.447 620 S HA -0.173 4.297 4.470 -0.000 0.000 0.233 620 S C 1.619 176.236 174.600 0.029 0.000 1.006 620 S CA 1.223 59.487 58.200 0.107 0.000 0.957 620 S CB -0.578 62.773 63.200 0.252 0.000 0.773 620 S HN 0.921 nan 8.310 nan 0.000 0.507 621 M N -0.019 119.506 119.600 -0.125 0.000 2.509 621 M HA 0.570 5.050 4.480 -0.000 0.000 0.250 621 M C 2.028 177.902 176.300 -0.709 0.000 1.132 621 M CA 0.626 55.638 55.300 -0.481 0.000 1.080 621 M CB -0.327 31.927 32.600 -0.576 0.000 1.408 621 M HN 0.178 nan 8.290 nan 0.000 0.484 622 A N 1.567 124.088 122.820 -0.499 0.000 2.139 622 A HA -0.105 4.215 4.320 -0.000 0.000 0.221 622 A C 2.195 179.386 177.584 -0.655 0.000 1.159 622 A CA 1.337 53.021 52.037 -0.588 0.000 0.662 622 A CB -0.571 18.278 19.000 -0.252 0.000 0.796 622 A HN 0.517 nan 8.150 nan 0.000 0.463 623 R N -0.965 119.235 120.500 -0.501 0.000 2.200 623 R HA -0.017 4.323 4.340 -0.000 0.000 0.208 623 R C 2.168 178.228 176.300 -0.399 0.000 1.033 623 R CA 0.895 56.786 56.100 -0.347 0.000 1.000 623 R CB -0.918 29.268 30.300 -0.191 0.000 0.906 623 R HN 0.507 nan 8.270 nan 0.000 0.462 624 G N 0.817 109.241 108.800 -0.627 0.000 2.559 624 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 624 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 624 G C 0.402 175.163 174.900 -0.232 0.000 1.126 624 G CA 0.358 45.200 45.100 -0.430 0.000 0.778 624 G HN 0.363 nan 8.290 nan 0.000 0.543 625 F N -0.855 118.961 119.950 -0.224 0.000 2.599 625 F HA 0.348 4.875 4.527 -0.000 0.000 0.367 625 F C 1.135 176.516 175.800 -0.700 0.000 1.517 625 F CA -0.799 56.906 58.000 -0.492 0.000 1.090 625 F CB -0.322 38.324 39.000 -0.591 0.000 1.758 625 F HN -0.028 nan 8.300 nan 0.000 0.550 626 S N -0.012 115.522 115.700 -0.278 0.000 2.442 626 S HA -0.184 4.286 4.470 -0.000 0.000 0.236 626 S C 1.575 176.204 174.600 0.049 0.000 1.007 626 S CA 0.917 59.044 58.200 -0.121 0.000 0.965 626 S CB -0.777 62.417 63.200 -0.010 0.000 0.773 626 S HN 0.806 nan 8.310 nan 0.000 0.504 627 W N 1.976 123.313 121.300 0.060 0.000 2.465 627 W HA 0.106 4.766 4.660 -0.000 0.000 0.268 627 W C 1.587 178.049 176.519 -0.096 0.000 1.242 627 W CA 0.740 57.968 57.345 -0.196 0.000 1.248 627 W CB -0.717 27.862 29.460 -1.468 0.000 1.118 627 W HN 0.491 nan 8.180 nan 0.000 0.587 628 E N 1.590 121.336 120.200 -0.757 0.000 2.204 628 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 628 E C 2.053 178.563 176.600 -0.150 0.000 0.989 628 E CA 0.882 56.945 56.400 -0.562 0.000 0.824 628 E CB -0.213 29.022 29.700 -0.775 0.000 0.756 628 E HN 0.251 nan 8.360 nan 0.000 0.477 629 R N -0.531 119.885 120.500 -0.140 0.000 2.316 629 R HA -0.022 4.318 4.340 -0.000 0.000 0.202 629 R C -0.090 176.038 176.300 -0.287 0.000 1.029 629 R CA 0.430 56.388 56.100 -0.237 0.000 1.018 629 R CB 0.103 30.170 30.300 -0.387 0.000 0.888 629 R HN 0.153 nan 8.270 nan 0.000 0.471 630 Y N -0.686 119.683 120.300 0.115 0.000 2.528 630 Y HA 0.190 4.740 4.550 -0.000 0.000 0.335 630 Y C 1.344 177.381 175.900 0.229 0.000 1.093 630 Y CA -0.831 57.386 58.100 0.196 0.000 1.134 630 Y CB 1.316 39.946 38.460 0.284 0.000 1.253 630 Y HN -0.228 nan 8.280 nan 0.000 0.478 631 Q N 0.828 120.871 119.800 0.404 0.000 2.259 631 Q HA 0.219 4.559 4.340 -0.000 0.000 0.201 631 Q C -0.787 175.403 176.000 0.317 0.000 0.938 631 Q CA 0.466 56.448 55.803 0.298 0.000 0.872 631 Q CB 0.852 29.720 28.738 0.217 0.000 0.971 631 Q HN 0.539 nan 8.270 nan 0.000 0.494 632 L N -1.534 119.935 121.223 0.409 0.000 2.672 632 L HA 0.678 5.018 4.340 -0.000 0.000 0.256 632 L C -2.360 174.777 176.870 0.446 0.000 0.946 632 L CA -0.522 54.539 54.840 0.369 0.000 0.889 632 L CB 1.860 44.035 42.059 0.192 0.000 1.441 632 L HN -0.098 nan 8.230 nan 0.000 0.418 633 A N 3.114 126.180 122.820 0.411 0.000 2.520 633 A HA 0.858 5.178 4.320 -0.000 0.000 0.298 633 A C -1.825 176.004 177.584 0.408 0.000 1.051 633 A CA -0.494 51.743 52.037 0.333 0.000 0.690 633 A CB 2.061 21.134 19.000 0.121 0.000 1.281 633 A HN 0.867 nan 8.150 nan 0.000 0.402 634 V N 2.108 122.192 119.914 0.284 0.000 2.444 634 V HA 0.756 4.876 4.120 -0.000 0.000 0.294 634 V C 0.404 176.621 176.094 0.205 0.000 1.022 634 V CA 0.120 62.553 62.300 0.221 0.000 0.850 634 V CB 1.396 33.296 31.823 0.129 0.000 0.992 634 V HN 1.248 nan 8.190 nan 0.000 0.426 635 T N 1.424 116.136 114.554 0.264 0.000 2.888 635 T HA 0.519 4.869 4.350 -0.000 0.000 0.288 635 T C -0.533 174.232 174.700 0.108 0.000 1.063 635 T CA -0.899 61.331 62.100 0.215 0.000 1.010 635 T CB 1.864 70.961 68.868 0.382 0.000 1.214 635 T HN 0.502 nan 8.240 nan 0.000 0.533 636 Q N 1.440 121.273 119.800 0.055 0.000 2.369 636 Q HA 0.232 4.572 4.340 -0.000 0.000 0.247 636 Q C -0.034 175.973 176.000 0.012 0.000 1.083 636 Q CA -0.550 55.248 55.803 -0.008 0.000 0.905 636 Q CB 0.632 29.347 28.738 -0.040 0.000 1.305 636 Q HN 0.546 nan 8.270 nan 0.000 0.465 637 R N 3.040 123.541 120.500 0.003 0.000 2.549 637 R HA -0.059 4.281 4.340 -0.000 0.000 0.336 637 R C -0.978 175.312 176.300 -0.017 0.000 0.891 637 R CA 0.894 57.000 56.100 0.010 0.000 1.102 637 R CB 0.103 30.377 30.300 -0.044 0.000 0.899 637 R HN 0.257 nan 8.270 nan 0.000 0.407 638 K N 3.184 123.572 120.400 -0.019 0.000 2.221 638 K HA 0.124 4.444 4.320 -0.000 0.000 0.243 638 K C 0.216 176.801 176.600 -0.026 0.000 0.968 638 K CA -0.877 55.379 56.287 -0.052 0.000 0.846 638 K CB 1.592 34.029 32.500 -0.105 0.000 1.141 638 K HN 0.500 nan 8.250 nan 0.000 0.434 639 E N 1.322 121.509 120.200 -0.022 0.000 2.208 639 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 639 E C 0.259 176.865 176.600 0.009 0.000 0.988 639 E CA 1.394 57.799 56.400 0.009 0.000 0.828 639 E CB 0.249 29.953 29.700 0.006 0.000 0.763 639 E HN 0.471 nan 8.360 nan 0.000 0.478 640 E N 0.271 120.451 120.200 -0.034 0.000 2.476 640 E HA 0.063 4.413 4.350 -0.000 0.000 0.191 640 E C -0.309 176.239 176.600 -0.086 0.000 1.064 640 E CA 0.239 56.612 56.400 -0.045 0.000 0.866 640 E CB 0.285 29.947 29.700 -0.063 0.000 0.952 640 E HN 0.234 nan 8.360 nan 0.000 0.492 641 E N 0.871 121.003 120.200 -0.113 0.000 4.052 641 E HA 0.081 4.431 4.350 -0.000 0.000 0.219 641 E C -1.933 174.744 176.600 0.128 0.000 1.166 641 E CA -1.001 55.252 56.400 -0.246 0.000 1.338 641 E CB 0.805 30.009 29.700 -0.828 0.000 1.212 641 E HN 0.122 nan 8.360 nan 0.000 0.432 642 P HA 0.002 nan 4.420 nan 0.000 0.227 642 P C 0.249 177.783 177.300 0.390 0.000 1.161 642 P CA 0.513 63.783 63.100 0.284 0.000 0.788 642 P CB 0.594 32.428 31.700 0.224 0.000 0.822 643 S N -0.805 115.142 115.700 0.412 0.000 2.570 643 S HA 0.322 4.792 4.470 -0.000 0.000 0.286 643 S C 0.816 175.638 174.600 0.370 0.000 1.099 643 S CA -0.326 58.094 58.200 0.367 0.000 0.913 643 S CB 1.867 65.217 63.200 0.250 0.000 1.085 643 S HN 0.071 nan 8.310 nan 0.000 0.480 644 S N 0.094 115.846 115.700 0.085 0.000 2.517 644 S HA 0.329 4.799 4.470 -0.000 0.000 0.214 644 S C 0.629 175.168 174.600 -0.101 0.000 0.991 644 S CA -0.081 57.978 58.200 -0.235 0.000 0.906 644 S CB 0.156 62.947 63.200 -0.682 0.000 0.789 644 S HN 0.423 nan 8.310 nan 0.000 0.513 645 S N -0.233 115.462 115.700 -0.008 0.000 2.638 645 S HA 0.737 5.207 4.470 -0.000 0.000 0.274 645 S C -1.357 173.303 174.600 0.099 0.000 1.157 645 S CA -0.519 57.724 58.200 0.072 0.000 0.826 645 S CB 2.109 65.340 63.200 0.052 0.000 1.139 645 S HN 0.310 nan 8.310 nan 0.000 0.474 646 S N 0.296 116.061 115.700 0.109 0.000 2.568 646 S HA 0.484 4.954 4.470 -0.000 0.000 0.293 646 S C 0.794 175.365 174.600 -0.047 0.000 1.089 646 S CA -0.347 57.911 58.200 0.096 0.000 0.945 646 S CB 1.532 64.864 63.200 0.220 0.000 1.077 646 S HN 0.767 nan 8.310 nan 0.000 0.485 647 V N 4.195 123.919 119.914 -0.317 0.000 2.720 647 V HA -0.018 4.102 4.120 -0.000 0.000 0.256 647 V C 1.117 176.864 176.094 -0.578 0.000 1.082 647 V CA 1.975 63.926 62.300 -0.583 0.000 1.101 647 V CB -0.859 30.214 31.823 -1.250 0.000 0.693 647 V HN 0.847 nan 8.190 nan 0.000 0.479 648 F N 0.139 119.983 119.950 -0.177 0.000 2.615 648 F HA 0.134 4.661 4.527 -0.000 0.000 0.297 648 F C 2.058 177.783 175.800 -0.125 0.000 1.124 648 F CA 0.910 58.798 58.000 -0.187 0.000 1.451 648 F CB -0.781 38.081 39.000 -0.230 0.000 1.103 648 F HN 0.197 nan 8.300 nan 0.000 0.569 649 N N 0.454 119.201 118.700 0.078 0.000 2.364 649 N HA -0.190 4.550 4.740 -0.000 0.000 0.183 649 N C 1.846 177.381 175.510 0.042 0.000 1.022 649 N CA 0.793 53.879 53.050 0.060 0.000 0.883 649 N CB -0.263 38.282 38.487 0.097 0.000 0.965 649 N HN 0.271 nan 8.380 nan 0.000 0.438 650 Q N 0.902 120.729 119.800 0.046 0.000 1.993 650 Q HA 0.005 4.345 4.340 -0.000 0.000 0.202 650 Q C 1.222 177.240 176.000 0.030 0.000 0.984 650 Q CA 1.625 57.477 55.803 0.081 0.000 0.837 650 Q CB -0.443 28.375 28.738 0.134 0.000 0.902 650 Q HN 0.253 nan 8.270 nan 0.000 0.423 651 N N 0.369 119.069 118.700 0.001 0.000 2.512 651 N HA -0.060 4.680 4.740 -0.000 0.000 0.183 651 N C -0.560 174.985 175.510 0.058 0.000 1.073 651 N CA 0.892 53.951 53.050 0.015 0.000 0.911 651 N CB 0.188 38.656 38.487 -0.033 0.000 0.964 651 N HN 0.280 nan 8.380 nan 0.000 0.447 652 D N -0.644 119.757 120.400 0.002 0.000 2.429 652 D HA 0.159 4.799 4.640 -0.000 0.000 0.255 652 D C -2.177 174.079 176.300 -0.073 0.000 1.257 652 D CA -1.441 52.609 54.000 0.084 0.000 0.890 652 D CB 1.470 42.329 40.800 0.098 0.000 1.267 652 D HN 0.012 nan 8.370 nan 0.000 0.521 653 P HA 0.057 nan 4.420 nan 0.000 0.240 653 P C 1.434 178.504 177.300 -0.383 0.000 1.190 653 P CA 0.066 62.911 63.100 -0.426 0.000 0.781 653 P CB 0.260 31.618 31.700 -0.570 0.000 0.931 654 W N 1.244 122.526 121.300 -0.029 0.000 2.418 654 W HA 0.188 4.848 4.660 -0.000 0.000 0.292 654 W C 0.910 177.412 176.519 -0.028 0.000 1.213 654 W CA 0.688 58.013 57.345 -0.034 0.000 1.283 654 W CB -0.628 28.831 29.460 -0.002 0.000 1.119 654 W HN -0.034 nan 8.180 nan 0.000 0.542 655 A N 0.849 123.797 122.820 0.214 0.000 2.978 655 A HA 0.498 4.818 4.320 -0.000 0.000 0.341 655 A C -2.541 175.076 177.584 0.057 0.000 1.105 655 A CA -1.221 50.890 52.037 0.123 0.000 0.819 655 A CB -0.241 18.849 19.000 0.150 0.000 1.080 655 A HN -0.275 nan 8.150 nan 0.000 0.476 656 P HA 0.031 nan 4.420 nan 0.000 0.261 656 P C 0.934 178.251 177.300 0.029 0.000 1.173 656 P CA 0.662 63.766 63.100 0.006 0.000 0.760 656 P CB 0.698 32.390 31.700 -0.014 0.000 0.783 657 T N 0.650 115.221 114.554 0.028 0.000 3.067 657 T HA 0.095 4.445 4.350 -0.000 0.000 0.261 657 T C 0.537 175.303 174.700 0.109 0.000 1.110 657 T CA 0.700 62.798 62.100 -0.003 0.000 1.113 657 T CB 0.121 68.945 68.868 -0.073 0.000 0.917 657 T HN 0.190 nan 8.240 nan 0.000 0.499 658 V N 2.033 122.020 119.914 0.122 0.000 2.610 658 V HA 0.313 4.433 4.120 -0.000 0.000 0.288 658 V C -1.691 174.460 176.094 0.095 0.000 1.055 658 V CA -1.345 61.055 62.300 0.167 0.000 0.902 658 V CB 1.954 33.906 31.823 0.215 0.000 1.030 658 V HN 0.139 nan 8.190 nan 0.000 0.448 659 D N 3.099 123.538 120.400 0.065 0.000 2.392 659 D HA 0.309 4.949 4.640 -0.000 0.000 0.228 659 D C 0.629 176.844 176.300 -0.141 0.000 1.074 659 D CA -0.561 53.431 54.000 -0.012 0.000 0.838 659 D CB 1.179 41.969 40.800 -0.017 0.000 1.067 659 D HN 0.293 nan 8.370 nan 0.000 0.511 660 F N 3.148 122.845 119.950 -0.420 0.000 2.154 660 F HA -0.181 4.346 4.527 -0.000 0.000 0.301 660 F C 2.006 177.404 175.800 -0.671 0.000 1.087 660 F CA 1.356 58.826 58.000 -0.884 0.000 1.274 660 F CB -0.311 38.353 39.000 -0.559 0.000 1.009 660 F HN 0.350 nan 8.300 nan 0.000 0.485 661 S N -0.056 115.389 115.700 -0.425 0.000 2.465 661 S HA -0.186 4.284 4.470 -0.000 0.000 0.241 661 S C 1.221 175.666 174.600 -0.259 0.000 1.000 661 S CA 1.284 59.278 58.200 -0.343 0.000 0.964 661 S CB -0.491 62.657 63.200 -0.088 0.000 0.763 661 S HN 0.441 nan 8.310 nan 0.000 0.512 662 D N 0.318 120.618 120.400 -0.166 0.000 2.363 662 D HA 0.060 4.700 4.640 -0.000 0.000 0.226 662 D C 0.729 177.147 176.300 0.196 0.000 1.020 662 D CA 0.400 54.421 54.000 0.035 0.000 0.892 662 D CB -0.123 40.750 40.800 0.122 0.000 0.900 662 D HN 0.342 nan 8.370 nan 0.000 0.531 663 F N 0.218 119.974 119.950 -0.323 0.000 2.743 663 F HA 0.258 4.785 4.527 -0.000 0.000 0.297 663 F C 0.930 176.570 175.800 -0.267 0.000 1.131 663 F CA -0.523 57.304 58.000 -0.289 0.000 1.426 663 F CB -0.232 38.501 39.000 -0.444 0.000 1.116 663 F HN -0.119 nan 8.300 nan 0.000 0.583 664 I N 2.362 122.857 120.570 -0.125 0.000 2.306 664 I HA 0.214 4.384 4.170 -0.000 0.000 0.288 664 I C -0.887 175.189 176.117 -0.068 0.000 1.036 664 I CA -0.457 60.765 61.300 -0.129 0.000 1.221 664 I CB 0.251 38.119 38.000 -0.220 0.000 1.385 664 I HN 0.010 nan 8.210 nan 0.000 0.472 665 N N 3.779 122.454 118.700 -0.043 0.000 2.610 665 N HA 0.272 5.012 4.740 -0.000 0.000 0.264 665 N C -0.775 174.716 175.510 -0.031 0.000 1.348 665 N CA -1.033 51.998 53.050 -0.032 0.000 0.819 665 N CB 0.317 38.790 38.487 -0.023 0.000 1.521 665 N HN 0.139 nan 8.380 nan 0.000 0.497 666 N N 0.727 119.410 118.700 -0.028 0.000 2.411 666 N HA 0.063 4.803 4.740 -0.000 0.000 0.282 666 N C -1.049 174.443 175.510 -0.030 0.000 1.322 666 N CA 0.663 53.696 53.050 -0.028 0.000 0.943 666 N CB -0.366 38.107 38.487 -0.023 0.000 1.266 666 N HN 0.491 nan 8.380 nan 0.000 0.486 667 E N -0.149 120.030 120.200 -0.034 0.000 2.372 667 E HA 0.152 4.502 4.350 -0.000 0.000 0.279 667 E C -0.912 175.659 176.600 -0.049 0.000 0.946 667 E CA -0.759 55.617 56.400 -0.040 0.000 0.769 667 E CB 1.622 31.299 29.700 -0.039 0.000 1.230 667 E HN 0.193 nan 8.360 nan 0.000 0.442 668 T N 1.424 115.942 114.554 -0.060 0.000 2.832 668 T HA 0.381 4.731 4.350 -0.000 0.000 0.296 668 T C 0.504 175.137 174.700 -0.112 0.000 0.968 668 T CA -0.423 61.630 62.100 -0.078 0.000 1.107 668 T CB 0.084 68.905 68.868 -0.079 0.000 0.916 668 T HN 0.476 nan 8.240 nan 0.000 0.517 669 I N 2.546 123.042 120.570 -0.124 0.000 3.399 669 I HA 0.642 4.812 4.170 -0.000 0.000 0.345 669 I C 0.186 176.146 176.117 -0.263 0.000 1.512 669 I CA -0.985 60.221 61.300 -0.156 0.000 1.047 669 I CB 0.102 38.052 38.000 -0.083 0.000 1.552 669 I HN 0.517 nan 8.210 nan 0.000 0.494 670 A N 1.601 124.214 122.820 -0.345 0.000 2.536 670 A HA 0.698 5.018 4.320 -0.000 0.000 0.329 670 A C 0.940 177.917 177.584 -1.011 0.000 1.321 670 A CA 0.058 51.749 52.037 -0.577 0.000 0.804 670 A CB 0.106 19.047 19.000 -0.098 0.000 1.126 670 A HN 1.040 nan 8.150 nan 0.000 0.480 671 G N 1.196 108.862 108.800 -1.890 0.000 2.130 671 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 671 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 671 G C 0.209 174.660 174.900 -0.748 0.000 0.999 671 G CA 0.333 44.382 45.100 -1.751 0.000 0.686 671 G HN 0.609 nan 8.290 nan 0.000 0.515 672 K N -0.128 119.939 120.400 -0.556 0.000 2.502 672 K HA 0.503 4.823 4.320 -0.000 0.000 0.256 672 K C -0.589 175.873 176.600 -0.230 0.000 1.053 672 K CA -0.840 55.268 56.287 -0.299 0.000 1.002 672 K CB 0.448 32.815 32.500 -0.221 0.000 1.384 672 K HN 0.088 nan 8.250 nan 0.000 0.537 673 D N 1.799 122.111 120.400 -0.147 0.000 2.380 673 D HA 0.245 4.885 4.640 -0.000 0.000 0.230 673 D C -0.539 175.704 176.300 -0.094 0.000 1.154 673 D CA -0.184 53.752 54.000 -0.106 0.000 0.859 673 D CB -0.016 40.730 40.800 -0.091 0.000 1.045 673 D HN 0.257 nan 8.370 nan 0.000 0.495 674 L N 2.474 123.646 121.223 -0.086 0.000 2.352 674 L HA 0.639 4.979 4.340 -0.000 0.000 0.269 674 L C 0.018 176.838 176.870 -0.084 0.000 1.034 674 L CA -1.211 53.588 54.840 -0.070 0.000 0.806 674 L CB 1.933 43.956 42.059 -0.060 0.000 1.244 674 L HN 0.090 nan 8.230 nan 0.000 0.447 675 V N 0.906 120.748 119.914 -0.120 0.000 2.668 675 V HA 0.781 4.901 4.120 -0.000 0.000 0.304 675 V C -0.533 175.328 176.094 -0.389 0.000 1.071 675 V CA -0.283 61.841 62.300 -0.292 0.000 0.894 675 V CB 1.787 33.366 31.823 -0.407 0.000 1.008 675 V HN 0.888 nan 8.190 nan 0.000 0.425 676 A N 5.788 128.377 122.820 -0.386 0.000 2.293 676 A HA 0.850 5.170 4.320 -0.000 0.000 0.302 676 A C -1.322 175.989 177.584 -0.455 0.000 1.119 676 A CA -0.484 51.391 52.037 -0.271 0.000 0.823 676 A CB 0.736 19.634 19.000 -0.171 0.000 1.097 676 A HN 0.982 nan 8.150 nan 0.000 0.491 677 W N 1.524 122.831 121.300 0.011 0.000 2.499 677 W HA 0.521 5.181 4.660 -0.000 0.000 0.320 677 W C -0.944 175.564 176.519 -0.020 0.000 1.010 677 W CA -0.540 56.779 57.345 -0.042 0.000 1.267 677 W CB 1.853 31.455 29.460 0.236 0.000 1.316 677 W HN 0.443 nan 8.180 nan 0.000 0.431 678 V N 2.908 122.832 119.914 0.017 0.000 2.483 678 V HA 0.581 4.701 4.120 -0.000 0.000 0.295 678 V C -0.042 176.260 176.094 0.347 0.000 1.035 678 V CA -0.705 61.615 62.300 0.033 0.000 0.896 678 V CB 1.703 33.218 31.823 -0.514 0.000 0.986 678 V HN 0.448 nan 8.190 nan 0.000 0.447 679 T N 4.179 118.984 114.554 0.418 0.000 2.809 679 T HA 0.716 5.066 4.350 -0.000 0.000 0.296 679 T C -0.001 174.940 174.700 0.402 0.000 1.015 679 T CA -0.234 62.174 62.100 0.513 0.000 0.954 679 T CB 1.355 70.546 68.868 0.539 0.000 0.950 679 T HN 0.944 nan 8.240 nan 0.000 0.450 680 A N 2.560 125.666 122.820 0.476 0.000 2.337 680 A HA 1.069 5.389 4.320 -0.000 0.000 0.331 680 A C 0.423 178.292 177.584 0.475 0.000 1.137 680 A CA -0.402 51.880 52.037 0.409 0.000 0.807 680 A CB 1.406 20.684 19.000 0.463 0.000 1.250 680 A HN 1.202 nan 8.150 nan 0.000 0.468 681 G N -0.851 108.169 108.800 0.366 0.000 2.317 681 G HA2 0.651 4.611 3.960 -0.000 0.000 0.293 681 G HA3 0.651 4.611 3.960 -0.000 0.000 0.293 681 G C -1.123 174.005 174.900 0.380 0.000 1.287 681 G CA 0.098 45.429 45.100 0.386 0.000 0.850 681 G HN 2.129 nan 8.290 nan 0.000 0.515 682 F N -2.298 117.756 119.950 0.172 0.000 2.799 682 F HA 0.725 5.252 4.527 -0.000 0.000 0.316 682 F C -1.489 174.397 175.800 0.144 0.000 1.155 682 F CA -1.379 56.724 58.000 0.172 0.000 0.916 682 F CB 1.062 40.194 39.000 0.220 0.000 1.294 682 F HN 0.772 nan 8.300 nan 0.000 0.447 683 L N 2.275 123.635 121.223 0.230 0.000 2.371 683 L HA 0.486 4.826 4.340 -0.000 0.000 0.272 683 L C -0.851 176.127 176.870 0.179 0.000 1.124 683 L CA 0.113 54.988 54.840 0.059 0.000 0.816 683 L CB 0.825 42.916 42.059 0.053 0.000 1.129 683 L HN 0.837 nan 8.230 nan 0.000 0.448 684 H N 5.605 124.538 119.070 -0.229 0.000 2.860 684 H HA 0.426 4.982 4.556 -0.000 0.000 0.312 684 H C -1.119 173.992 175.328 -0.362 0.000 0.995 684 H CA -0.874 55.033 56.048 -0.235 0.000 1.311 684 H CB 0.907 30.450 29.762 -0.365 0.000 1.478 684 H HN 0.616 nan 8.280 nan 0.000 0.508 685 I N 7.986 128.587 120.570 0.050 0.000 2.307 685 I HA 0.211 4.381 4.170 -0.000 0.000 0.287 685 I C -2.208 173.909 176.117 0.001 0.000 1.054 685 I CA -2.014 59.259 61.300 -0.044 0.000 1.218 685 I CB 1.199 39.217 38.000 0.029 0.000 1.398 685 I HN 0.445 nan 8.210 nan 0.000 0.475 686 P HA 0.066 nan 4.420 nan 0.000 0.269 686 P C -1.167 176.109 177.300 -0.041 0.000 1.217 686 P CA 0.403 63.358 63.100 -0.242 0.000 0.783 686 P CB 0.393 31.959 31.700 -0.224 0.000 0.898 687 H N -2.051 117.038 119.070 0.032 0.000 2.948 687 H HA 0.654 5.210 4.556 -0.000 0.000 0.315 687 H C 0.845 176.181 175.328 0.013 0.000 1.360 687 H CA -0.633 55.424 56.048 0.014 0.000 1.125 687 H CB -0.045 29.726 29.762 0.015 0.000 1.844 687 H HN 0.233 nan 8.280 nan 0.000 0.529 688 A N 0.597 123.529 122.820 0.187 0.000 1.909 688 A HA -0.282 4.038 4.320 -0.000 0.000 0.221 688 A C 1.521 179.161 177.584 0.093 0.000 1.223 688 A CA 2.122 54.221 52.037 0.104 0.000 0.658 688 A CB -1.013 18.036 19.000 0.083 0.000 0.831 688 A HN 0.803 nan 8.150 nan 0.000 0.462 689 E N -0.071 120.246 120.200 0.196 0.000 2.357 689 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 689 E C -0.524 176.078 176.600 0.003 0.000 1.177 689 E CA 0.562 57.029 56.400 0.112 0.000 0.998 689 E CB -0.289 29.505 29.700 0.157 0.000 1.106 689 E HN 0.533 nan 8.360 nan 0.000 0.470 690 D N 0.431 120.788 120.400 -0.070 0.000 2.433 690 D HA 0.168 4.808 4.640 -0.000 0.000 0.211 690 D C -0.099 176.141 176.300 -0.099 0.000 1.114 690 D CA -0.154 53.777 54.000 -0.116 0.000 0.837 690 D CB 0.687 41.397 40.800 -0.150 0.000 0.984 690 D HN 0.148 nan 8.370 nan 0.000 0.505 691 I N 2.564 123.093 120.570 -0.069 0.000 2.362 691 I HA 0.192 4.362 4.170 -0.000 0.000 0.289 691 I C -1.221 174.858 176.117 -0.063 0.000 0.994 691 I CA -1.997 59.266 61.300 -0.062 0.000 1.158 691 I CB 1.565 39.550 38.000 -0.025 0.000 1.315 691 I HN -0.260 nan 8.210 nan 0.000 0.451 692 P HA -0.027 nan 4.420 nan 0.000 0.214 692 P C 0.191 177.253 177.300 -0.397 0.000 1.162 692 P CA 0.950 63.948 63.100 -0.170 0.000 0.871 692 P CB 0.657 32.276 31.700 -0.135 0.000 0.783 693 N N -0.559 117.898 118.700 -0.405 0.000 2.472 693 N HA 0.232 4.972 4.740 -0.000 0.000 0.289 693 N C -0.439 174.925 175.510 -0.242 0.000 1.156 693 N CA -0.401 52.391 53.050 -0.430 0.000 0.940 693 N CB 1.055 39.293 38.487 -0.414 0.000 1.200 693 N HN -0.109 nan 8.380 nan 0.000 0.511 694 T N 1.013 115.442 114.554 -0.208 0.000 2.869 694 T HA 0.197 4.547 4.350 -0.000 0.000 0.295 694 T C 0.765 175.370 174.700 -0.158 0.000 0.987 694 T CA -0.730 61.286 62.100 -0.139 0.000 1.109 694 T CB 0.786 69.604 68.868 -0.084 0.000 0.932 694 T HN 0.266 nan 8.240 nan 0.000 0.518 695 V N 1.935 121.770 119.914 -0.131 0.000 3.489 695 V HA 0.401 4.521 4.120 -0.000 0.000 0.297 695 V C 1.418 177.431 176.094 -0.136 0.000 1.071 695 V CA 0.083 62.307 62.300 -0.127 0.000 1.074 695 V CB 0.180 31.948 31.823 -0.093 0.000 1.188 695 V HN 1.005 nan 8.190 nan 0.000 0.458 696 T N -2.106 112.375 114.554 -0.122 0.000 3.015 696 T HA 0.123 4.473 4.350 -0.000 0.000 0.250 696 T C 0.758 175.456 174.700 -0.004 0.000 1.057 696 T CA 0.613 62.676 62.100 -0.061 0.000 1.066 696 T CB -0.244 68.513 68.868 -0.185 0.000 0.959 696 T HN 1.416 nan 8.240 nan 0.000 0.488 697 V N 1.248 121.129 119.914 -0.055 0.000 2.506 697 V HA 0.474 4.594 4.120 -0.000 0.000 0.296 697 V C 1.551 177.596 176.094 -0.082 0.000 1.004 697 V CA 0.306 62.578 62.300 -0.047 0.000 1.150 697 V CB -0.665 31.125 31.823 -0.055 0.000 0.911 697 V HN 0.907 nan 8.190 nan 0.000 0.476 698 G N 4.293 113.049 108.800 -0.073 0.000 2.328 698 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.256 698 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.256 698 G C 0.705 175.482 174.900 -0.205 0.000 1.014 698 G CA 0.595 45.628 45.100 -0.112 0.000 0.620 698 G HN 0.803 nan 8.290 nan 0.000 0.530 699 N N 1.730 120.248 118.700 -0.303 0.000 2.515 699 N HA 0.105 4.845 4.740 -0.000 0.000 0.185 699 N C 1.397 176.479 175.510 -0.713 0.000 1.109 699 N CA 0.980 53.663 53.050 -0.612 0.000 0.903 699 N CB -0.099 38.073 38.487 -0.524 0.000 0.969 699 N HN 0.688 nan 8.380 nan 0.000 0.450 700 G N 1.370 109.796 108.800 -0.623 0.000 2.360 700 G HA2 0.386 4.346 3.960 -0.000 0.000 0.279 700 G HA3 0.386 4.346 3.960 -0.000 0.000 0.279 700 G C 0.222 174.629 174.900 -0.821 0.000 1.189 700 G CA -0.227 44.141 45.100 -1.221 0.000 0.941 700 G HN 0.024 nan 8.290 nan 0.000 0.445 701 V N 1.427 120.853 119.914 -0.814 0.000 2.864 701 V HA 1.062 5.182 4.120 -0.000 0.000 0.314 701 V C 0.484 176.377 176.094 -0.336 0.000 1.073 701 V CA 0.077 62.064 62.300 -0.521 0.000 0.956 701 V CB 1.454 33.025 31.823 -0.420 0.000 1.023 701 V HN 1.222 nan 8.190 nan 0.000 0.435 702 G N 2.028 110.671 108.800 -0.262 0.000 2.825 702 G HA2 0.669 4.629 3.960 -0.000 0.000 0.100 702 G HA3 0.669 4.629 3.960 -0.000 0.000 0.100 702 G C -1.015 173.804 174.900 -0.135 0.000 1.195 702 G CA 0.274 45.200 45.100 -0.290 0.000 1.317 702 G HN 1.979 nan 8.290 nan 0.000 0.632 703 F N -2.183 117.498 119.950 -0.449 0.000 2.878 703 F HA 0.780 5.307 4.527 0.000 0.000 0.322 703 F C -2.322 173.173 175.800 -0.508 0.000 1.154 703 F CA -1.979 55.819 58.000 -0.336 0.000 0.896 703 F CB 0.663 39.528 39.000 -0.226 0.000 1.313 703 F HN 0.470 nan 8.300 nan 0.000 0.451 704 F N 1.546 121.578 119.950 0.137 0.000 2.561 704 F HA 0.767 5.294 4.527 -0.000 0.000 0.321 704 F C -0.639 175.256 175.800 0.160 0.000 1.065 704 F CA -0.977 57.046 58.000 0.038 0.000 0.934 704 F CB 2.267 41.245 39.000 -0.036 0.000 1.215 704 F HN 0.455 nan 8.300 nan 0.000 0.471 705 L N 4.211 125.644 121.223 0.351 0.000 2.366 705 L HA 0.545 4.885 4.340 -0.000 0.000 0.266 705 L C -0.811 176.335 176.870 0.459 0.000 1.010 705 L CA -0.594 54.478 54.840 0.387 0.000 0.879 705 L CB 0.978 43.197 42.059 0.266 0.000 1.228 705 L HN 0.582 nan 8.230 nan 0.000 0.439 706 R N 3.356 124.030 120.500 0.289 0.000 2.589 706 R HA 0.555 4.895 4.340 -0.000 0.000 0.293 706 R C -2.708 173.325 176.300 -0.445 0.000 0.963 706 R CA -2.025 54.092 56.100 0.028 0.000 0.905 706 R CB 1.698 31.992 30.300 -0.010 0.000 1.144 706 R HN 0.206 nan 8.270 nan 0.000 0.459 707 P HA -0.022 nan 4.420 nan 0.000 0.271 707 P C -1.395 175.785 177.300 -0.198 0.000 1.216 707 P CA 0.035 62.595 63.100 -0.901 0.000 0.776 707 P CB 0.564 32.106 31.700 -0.264 0.000 0.881 708 Y N 3.345 123.493 120.300 -0.252 0.000 2.373 708 Y HA 0.207 4.757 4.550 -0.000 0.000 0.327 708 Y C 0.380 176.201 175.900 -0.133 0.000 1.036 708 Y CA -0.373 57.604 58.100 -0.205 0.000 1.265 708 Y CB 0.470 38.709 38.460 -0.368 0.000 1.108 708 Y HN 0.393 nan 8.280 nan 0.000 0.471 709 N N 3.539 122.052 118.700 -0.312 0.000 2.708 709 N HA -0.321 4.419 4.740 -0.000 0.000 0.251 709 N C 0.394 175.923 175.510 0.033 0.000 1.123 709 N CA 1.607 54.550 53.050 -0.177 0.000 0.739 709 N CB -1.588 36.716 38.487 -0.304 0.000 1.113 709 N HN 0.759 nan 8.380 nan 0.000 0.561 710 F N 0.244 120.159 119.950 -0.058 0.000 2.147 710 F HA 0.236 4.763 4.527 -0.000 0.000 0.291 710 F C 0.854 176.528 175.800 -0.211 0.000 1.093 710 F CA 0.706 58.645 58.000 -0.103 0.000 1.263 710 F CB 0.062 38.990 39.000 -0.120 0.000 1.036 710 F HN -0.057 nan 8.300 nan 0.000 0.481 711 F N 1.093 121.306 119.950 0.438 0.000 2.370 711 F HA 0.212 4.739 4.527 -0.000 0.000 0.319 711 F C 1.389 177.285 175.800 0.160 0.000 1.129 711 F CA -0.583 57.602 58.000 0.308 0.000 1.109 711 F CB 0.263 39.468 39.000 0.341 0.000 1.262 711 F HN -0.155 nan 8.300 nan 0.000 0.534 712 D N 0.172 120.760 120.400 0.313 0.000 2.340 712 D HA 0.032 4.672 4.640 -0.000 0.000 0.220 712 D C 0.072 176.609 176.300 0.394 0.000 1.039 712 D CA 0.633 54.794 54.000 0.269 0.000 0.866 712 D CB 0.069 40.905 40.800 0.060 0.000 0.913 712 D HN 0.689 nan 8.370 nan 0.000 0.523 713 E N -0.367 120.008 120.200 0.291 0.000 2.382 713 E HA 0.015 4.365 4.350 -0.000 0.000 0.280 713 E C -1.671 174.980 176.600 0.085 0.000 1.161 713 E CA -0.756 55.720 56.400 0.127 0.000 0.905 713 E CB 0.462 30.170 29.700 0.013 0.000 1.268 713 E HN -0.253 nan 8.360 nan 0.000 0.426 714 D N 2.762 123.151 120.400 -0.018 0.000 2.426 714 D HA 0.054 4.694 4.640 -0.000 0.000 0.261 714 D C -1.078 175.192 176.300 -0.048 0.000 1.245 714 D CA -1.678 52.292 54.000 -0.050 0.000 0.917 714 D CB 1.031 41.802 40.800 -0.049 0.000 1.123 714 D HN 0.229 nan 8.370 nan 0.000 0.508 715 P HA -0.153 nan 4.420 nan 0.000 0.226 715 P C 1.089 178.440 177.300 0.084 0.000 1.153 715 P CA 0.636 63.759 63.100 0.039 0.000 0.777 715 P CB 0.004 31.695 31.700 -0.014 0.000 0.794 716 S N -0.996 114.735 115.700 0.051 0.000 2.500 716 S HA -0.168 4.302 4.470 -0.000 0.000 0.239 716 S C 1.784 176.408 174.600 0.038 0.000 0.989 716 S CA 0.170 58.412 58.200 0.071 0.000 0.951 716 S CB -1.680 61.556 63.200 0.061 0.000 0.759 716 S HN 0.019 nan 8.310 nan 0.000 0.523 717 F N 2.108 121.944 119.950 -0.190 0.000 2.154 717 F HA -0.041 4.486 4.527 0.000 0.000 0.301 717 F C 1.318 176.970 175.800 -0.248 0.000 1.087 717 F CA 1.029 58.852 58.000 -0.295 0.000 1.274 717 F CB -0.510 38.183 39.000 -0.512 0.000 1.009 717 F HN 0.281 nan 8.300 nan 0.000 0.485 718 Y N -0.047 120.274 120.300 0.035 0.000 2.496 718 Y HA 0.182 4.731 4.550 -0.000 0.000 0.313 718 Y C 1.089 176.952 175.900 -0.062 0.000 1.184 718 Y CA -0.485 57.578 58.100 -0.061 0.000 1.275 718 Y CB -0.360 38.122 38.460 0.037 0.000 1.103 718 Y HN -0.112 nan 8.280 nan 0.000 0.513 719 S N 0.331 116.061 115.700 0.050 0.000 2.528 719 S HA 0.374 4.844 4.470 -0.000 0.000 0.277 719 S C 1.315 175.930 174.600 0.025 0.000 1.297 719 S CA 0.067 58.300 58.200 0.055 0.000 1.052 719 S CB 1.023 64.256 63.200 0.056 0.000 0.917 719 S HN 0.534 nan 8.310 nan 0.000 0.492 720 A N 4.192 127.035 122.820 0.038 0.000 1.877 720 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 720 A C 1.625 179.229 177.584 0.034 0.000 1.186 720 A CA 1.667 53.720 52.037 0.027 0.000 0.620 720 A CB -0.589 18.430 19.000 0.030 0.000 0.822 720 A HN 0.862 nan 8.150 nan 0.000 0.443 721 D N 0.360 120.791 120.400 0.051 0.000 2.350 721 D HA -0.005 4.635 4.640 -0.000 0.000 0.216 721 D C 1.116 177.456 176.300 0.065 0.000 0.968 721 D CA 0.843 54.882 54.000 0.064 0.000 0.894 721 D CB -0.447 40.400 40.800 0.078 0.000 0.909 721 D HN 0.372 nan 8.370 nan 0.000 0.520 722 S N 0.108 115.832 115.700 0.041 0.000 2.559 722 S HA 0.085 4.555 4.470 -0.000 0.000 0.282 722 S C 0.123 174.757 174.600 0.057 0.000 1.336 722 S CA -0.086 58.130 58.200 0.027 0.000 1.037 722 S CB 0.384 63.556 63.200 -0.047 0.000 0.853 722 S HN 0.061 nan 8.310 nan 0.000 0.523 723 I N 3.048 123.670 120.570 0.087 0.000 2.689 723 I HA 0.545 4.715 4.170 -0.000 0.000 0.299 723 I C -1.259 174.959 176.117 0.168 0.000 1.059 723 I CA -0.836 60.560 61.300 0.159 0.000 1.055 723 I CB 2.121 40.264 38.000 0.238 0.000 1.243 723 I HN 0.828 nan 8.210 nan 0.000 0.425 724 Y N 6.836 127.166 120.300 0.050 0.000 2.521 724 Y HA 0.610 5.160 4.550 -0.000 0.000 0.332 724 Y C -1.598 174.387 175.900 0.142 0.000 1.121 724 Y CA -0.992 57.088 58.100 -0.034 0.000 1.037 724 Y CB 1.542 39.968 38.460 -0.056 0.000 1.330 724 Y HN 0.479 nan 8.280 nan 0.000 0.452 725 F N 1.155 120.668 119.950 -0.728 0.000 3.250 725 F HA 0.767 5.294 4.527 0.000 0.000 0.326 725 F C -2.189 173.316 175.800 -0.492 0.000 1.154 725 F CA -1.818 55.895 58.000 -0.478 0.000 0.870 725 F CB 1.211 40.150 39.000 -0.102 0.000 1.476 725 F HN 0.359 nan 8.300 nan 0.000 0.491 726 R N 0.654 121.370 120.500 0.360 0.000 2.483 726 R HA 0.583 4.923 4.340 -0.000 0.000 0.303 726 R C 0.185 176.661 176.300 0.293 0.000 0.987 726 R CA -0.254 55.996 56.100 0.250 0.000 0.881 726 R CB 1.390 31.781 30.300 0.150 0.000 1.177 726 R HN 1.438 nan 8.270 nan 0.000 0.451 727 G N 2.667 111.634 108.800 0.278 0.000 4.257 727 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.270 727 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.270 727 G C -0.574 174.463 174.900 0.229 0.000 1.717 727 G CA 0.431 45.658 45.100 0.212 0.000 1.170 727 G HN 0.594 nan 8.290 nan 0.000 0.642 728 D N 0.234 120.674 120.400 0.066 0.000 2.477 728 D HA 0.838 5.478 4.640 -0.000 0.000 0.234 728 D C 0.143 176.169 176.300 -0.457 0.000 1.048 728 D CA 1.720 55.692 54.000 -0.047 0.000 0.959 728 D CB 1.544 42.318 40.800 -0.044 0.000 1.408 728 D HN 1.548 nan 8.370 nan 0.000 0.496 729 Q N 0.000 119.529 119.800 -0.452 0.000 2.315 729 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 729 Q CA 0.000 nan 55.803 nan 0.000 1.022 729 Q CB 0.000 nan 28.738 nan 0.000 1.108 729 Q HN 0.000 nan 8.270 nan 0.000 0.481